USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 45 MET CE :methyl 144:sc= -0.219 (180deg=-1.06) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.442 K(o=-0.66,f=-1.4) USER MOD Set 2.1: A 35 CYS SG : rot 36:sc= -0.0108 USER MOD Set 2.2: A 69 SER OG : rot 104:sc= 0.818 USER MOD Set 2.3: A 71 THR OG1 : rot 144:sc= 1.69 USER MOD Set 3.1: A 16 GLN : amide:sc= -1.53 K(o=-6.4,f=-14!) USER MOD Set 3.2: A 81 MET CE :methyl 143:sc= -4.9! (180deg=-6.73!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0235 X(o=0.024,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 37 SER OG : rot 120:sc= -0.198 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.197 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.0132 (180deg=-0.82) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.36) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.647 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.36 F(o=-0.89,f=-0.36) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -137:sc= -0.398 (180deg=-3.58!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -4.714 8.792 0.356 1.00 0.00 N ATOM 66 CA TYR A 5 -4.379 7.898 -0.758 1.00 0.00 C ATOM 67 C TYR A 5 -5.636 7.552 -1.555 1.00 0.00 C ATOM 68 O TYR A 5 -5.644 7.615 -2.787 1.00 0.00 O ATOM 69 CB TYR A 5 -3.743 6.600 -0.243 1.00 0.00 C ATOM 70 CG TYR A 5 -2.363 6.889 0.299 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.257 6.882 -0.559 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.191 7.167 1.660 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.021 7.153 -0.055 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.914 7.437 2.164 1.00 0.00 C ATOM 75 CZ TYR A 5 0.193 7.430 1.306 1.00 0.00 C ATOM 76 OH TYR A 5 1.453 7.697 1.801 1.00 0.00 O ATOM 0 HA TYR A 5 -3.667 8.416 -1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.366 6.163 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.682 5.869 -1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.389 6.668 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.045 7.173 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.874 7.148 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.782 7.651 3.214 1.00 0.00 H new ATOM 0 HH TYR A 5 1.396 7.869 2.764 1.00 0.00 H new ATOM 86 N LYS A 6 -6.702 7.195 -0.832 1.00 0.00 N ATOM 87 CA LYS A 6 -7.979 6.847 -1.466 1.00 0.00 C ATOM 88 C LYS A 6 -8.729 8.106 -1.919 1.00 0.00 C ATOM 89 O LYS A 6 -9.568 8.049 -2.819 1.00 0.00 O ATOM 90 CB LYS A 6 -8.866 6.064 -0.493 1.00 0.00 C ATOM 91 CG LYS A 6 -8.292 4.657 -0.287 1.00 0.00 C ATOM 92 CD LYS A 6 -7.381 4.646 0.946 1.00 0.00 C ATOM 93 CE LYS A 6 -7.165 3.205 1.415 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.219 2.837 2.405 1.00 0.00 N ATOM 0 H LYS A 6 -6.707 7.139 0.186 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.756 6.230 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.924 6.587 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.882 5.999 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.102 3.939 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.730 4.350 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.423 5.108 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.828 5.236 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.199 2.526 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.178 3.103 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.070 1.858 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.166 3.478 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.156 2.919 1.961 1.00 0.00 H new ATOM 108 N ALA A 7 -8.418 9.245 -1.286 1.00 0.00 N ATOM 109 CA ALA A 7 -9.064 10.512 -1.630 1.00 0.00 C ATOM 110 C ALA A 7 -8.649 10.986 -3.028 1.00 0.00 C ATOM 111 O ALA A 7 -9.402 11.693 -3.697 1.00 0.00 O ATOM 112 CB ALA A 7 -8.699 11.596 -0.612 1.00 0.00 C ATOM 0 H ALA A 7 -7.727 9.312 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.140 10.341 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.189 12.531 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.029 11.289 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.619 11.741 -0.606 1.00 0.00 H new ATOM 118 N ALA A 8 -7.445 10.594 -3.459 1.00 0.00 N ATOM 119 CA ALA A 8 -6.947 10.991 -4.779 1.00 0.00 C ATOM 120 C ALA A 8 -7.531 10.105 -5.879 1.00 0.00 C ATOM 121 O ALA A 8 -7.973 10.602 -6.914 1.00 0.00 O ATOM 122 CB ALA A 8 -5.422 10.894 -4.826 1.00 0.00 C ATOM 0 H ALA A 8 -6.805 10.010 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.258 12.022 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.069 11.192 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.992 11.553 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.116 9.867 -4.626 1.00 0.00 H new ATOM 128 N VAL A 9 -7.523 8.787 -5.644 1.00 0.00 N ATOM 129 CA VAL A 9 -8.053 7.836 -6.630 1.00 0.00 C ATOM 130 C VAL A 9 -9.555 8.060 -6.866 1.00 0.00 C ATOM 131 O VAL A 9 -10.074 7.748 -7.939 1.00 0.00 O ATOM 132 CB VAL A 9 -7.802 6.385 -6.179 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.660 6.051 -4.954 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.149 5.426 -7.321 1.00 0.00 C ATOM 0 H VAL A 9 -7.161 8.359 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.527 8.009 -7.569 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.750 6.277 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.471 5.022 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.406 6.726 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.714 6.167 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.971 4.399 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.198 5.545 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.525 5.650 -8.186 1.00 0.00 H new ATOM 144 N GLU A 10 -10.246 8.605 -5.860 1.00 0.00 N ATOM 145 CA GLU A 10 -11.679 8.868 -5.986 1.00 0.00 C ATOM 146 C GLU A 10 -11.945 10.185 -6.733 1.00 0.00 C ATOM 147 O GLU A 10 -13.060 10.415 -7.206 1.00 0.00 O ATOM 148 CB GLU A 10 -12.338 8.926 -4.601 1.00 0.00 C ATOM 149 CG GLU A 10 -11.856 10.163 -3.835 1.00 0.00 C ATOM 150 CD GLU A 10 -12.821 10.471 -2.695 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.772 11.198 -2.930 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.593 9.977 -1.603 1.00 0.00 O ATOM 0 H GLU A 10 -9.841 8.869 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.111 8.050 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.422 8.955 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.097 8.024 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.855 9.991 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.790 11.017 -4.509 1.00 0.00 H new ATOM 159 N GLN A 11 -10.923 11.052 -6.830 1.00 0.00 N ATOM 160 CA GLN A 11 -11.096 12.340 -7.515 1.00 0.00 C ATOM 161 C GLN A 11 -10.096 12.531 -8.668 1.00 0.00 C ATOM 162 O GLN A 11 -9.846 13.661 -9.096 1.00 0.00 O ATOM 163 CB GLN A 11 -10.946 13.497 -6.514 1.00 0.00 C ATOM 164 CG GLN A 11 -9.487 13.615 -6.058 1.00 0.00 C ATOM 165 CD GLN A 11 -9.376 14.679 -4.969 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.737 15.712 -5.167 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.966 14.490 -3.819 1.00 0.00 N ATOM 0 H GLN A 11 -9.990 10.889 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.099 12.340 -7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.267 14.431 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.592 13.328 -5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.135 12.655 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.851 13.878 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.496 13.635 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.896 15.198 -3.088 1.00 0.00 H new ATOM 176 N LEU A 12 -9.535 11.430 -9.181 1.00 0.00 N ATOM 177 CA LEU A 12 -8.579 11.527 -10.294 1.00 0.00 C ATOM 178 C LEU A 12 -9.319 11.682 -11.626 1.00 0.00 C ATOM 179 O LEU A 12 -10.552 11.678 -11.672 1.00 0.00 O ATOM 180 CB LEU A 12 -7.661 10.294 -10.366 1.00 0.00 C ATOM 181 CG LEU A 12 -8.299 8.944 -10.016 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.571 8.731 -10.842 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.303 7.823 -10.320 1.00 0.00 C ATOM 0 H LEU A 12 -9.719 10.482 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.962 12.407 -10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.257 10.228 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.818 10.457 -9.695 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.558 8.935 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.015 7.769 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.282 9.528 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.322 8.744 -11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.752 6.861 -10.073 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.046 7.842 -11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.401 7.966 -9.725 1.00 0.00 H new ATOM 195 N THR A 13 -8.552 11.819 -12.711 1.00 0.00 N ATOM 196 CA THR A 13 -9.141 11.976 -14.044 1.00 0.00 C ATOM 197 C THR A 13 -9.362 10.615 -14.698 1.00 0.00 C ATOM 198 O THR A 13 -8.869 9.589 -14.219 1.00 0.00 O ATOM 199 CB THR A 13 -8.226 12.811 -14.957 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.896 12.810 -14.449 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.744 14.247 -15.030 1.00 0.00 C ATOM 0 H THR A 13 -7.532 11.825 -12.694 1.00 0.00 H new ATOM 0 HA THR A 13 -10.095 12.487 -13.918 1.00 0.00 H new ATOM 0 HB THR A 13 -8.227 12.373 -15.955 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.321 13.342 -15.037 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.094 14.836 -15.677 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.756 14.249 -15.434 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.752 14.682 -14.031 1.00 0.00 H new ATOM 209 N ASP A 14 -10.085 10.623 -15.820 1.00 0.00 N ATOM 210 CA ASP A 14 -10.342 9.389 -16.562 1.00 0.00 C ATOM 211 C ASP A 14 -9.045 8.918 -17.215 1.00 0.00 C ATOM 212 O ASP A 14 -8.794 7.718 -17.336 1.00 0.00 O ATOM 213 CB ASP A 14 -11.401 9.613 -17.645 1.00 0.00 C ATOM 214 CG ASP A 14 -12.793 9.463 -17.038 1.00 0.00 C ATOM 215 OD1 ASP A 14 -13.292 8.349 -17.013 1.00 0.00 O ATOM 216 OD2 ASP A 14 -13.341 10.465 -16.606 1.00 0.00 O ATOM 0 H ASP A 14 -10.498 11.460 -16.230 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.711 8.635 -15.867 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.288 10.606 -18.079 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.266 8.895 -18.454 1.00 0.00 H new ATOM 221 N GLU A 15 -8.216 9.891 -17.615 1.00 0.00 N ATOM 222 CA GLU A 15 -6.926 9.593 -18.236 1.00 0.00 C ATOM 223 C GLU A 15 -5.983 8.937 -17.223 1.00 0.00 C ATOM 224 O GLU A 15 -5.146 8.110 -17.582 1.00 0.00 O ATOM 225 CB GLU A 15 -6.289 10.878 -18.780 1.00 0.00 C ATOM 226 CG GLU A 15 -5.805 11.768 -17.627 1.00 0.00 C ATOM 227 CD GLU A 15 -5.105 13.001 -18.190 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.786 13.985 -18.432 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.899 12.944 -18.371 1.00 0.00 O ATOM 0 H GLU A 15 -8.418 10.886 -17.519 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.094 8.901 -19.061 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.451 10.628 -19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.013 11.421 -19.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.650 12.068 -17.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.122 11.211 -16.986 1.00 0.00 H new ATOM 236 N GLN A 16 -6.143 9.313 -15.948 1.00 0.00 N ATOM 237 CA GLN A 16 -5.320 8.756 -14.873 1.00 0.00 C ATOM 238 C GLN A 16 -5.618 7.267 -14.706 1.00 0.00 C ATOM 239 O GLN A 16 -4.705 6.448 -14.587 1.00 0.00 O ATOM 240 CB GLN A 16 -5.607 9.476 -13.551 1.00 0.00 C ATOM 241 CG GLN A 16 -4.293 9.739 -12.809 1.00 0.00 C ATOM 242 CD GLN A 16 -4.590 10.429 -11.481 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.374 9.855 -10.414 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.083 11.638 -11.481 1.00 0.00 N ATOM 0 H GLN A 16 -6.833 9.998 -15.639 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.271 8.894 -15.137 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.122 10.417 -13.743 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.270 8.871 -12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.767 8.800 -12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.638 10.363 -13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.263 12.115 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.288 12.105 -10.598 1.00 0.00 H new ATOM 253 N LYS A 17 -6.912 6.931 -14.715 1.00 0.00 N ATOM 254 CA LYS A 17 -7.337 5.537 -14.583 1.00 0.00 C ATOM 255 C LYS A 17 -6.922 4.746 -15.823 1.00 0.00 C ATOM 256 O LYS A 17 -6.415 3.629 -15.719 1.00 0.00 O ATOM 257 CB LYS A 17 -8.858 5.444 -14.423 1.00 0.00 C ATOM 258 CG LYS A 17 -9.296 6.180 -13.152 1.00 0.00 C ATOM 259 CD LYS A 17 -10.716 6.725 -13.339 1.00 0.00 C ATOM 260 CE LYS A 17 -11.735 5.622 -13.037 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.526 5.321 -14.265 1.00 0.00 N ATOM 0 H LYS A 17 -7.676 7.600 -14.811 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.858 5.121 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.351 5.878 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.164 4.399 -14.372 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.265 5.503 -12.298 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.607 6.997 -12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.880 7.576 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.847 7.085 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.222 4.724 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.399 5.937 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.217 4.572 -14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.027 6.178 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.886 5.002 -15.021 1.00 0.00 H new ATOM 275 N ASN A 18 -7.139 5.348 -16.998 1.00 0.00 N ATOM 276 CA ASN A 18 -6.779 4.704 -18.266 1.00 0.00 C ATOM 277 C ASN A 18 -5.263 4.519 -18.374 1.00 0.00 C ATOM 278 O ASN A 18 -4.792 3.580 -19.015 1.00 0.00 O ATOM 279 CB ASN A 18 -7.263 5.543 -19.454 1.00 0.00 C ATOM 280 CG ASN A 18 -8.759 5.318 -19.670 1.00 0.00 C ATOM 281 OD1 ASN A 18 -9.215 4.177 -19.758 1.00 0.00 O ATOM 282 ND2 ASN A 18 -9.556 6.347 -19.764 1.00 0.00 N ATOM 0 H ASN A 18 -7.559 6.272 -17.097 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.263 3.728 -18.287 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.068 6.599 -19.269 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.711 5.270 -20.353 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.556 6.206 -19.910 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.179 7.292 -19.691 1.00 0.00 H new ATOM 289 N GLU A 19 -4.509 5.423 -17.736 1.00 0.00 N ATOM 290 CA GLU A 19 -3.045 5.351 -17.757 1.00 0.00 C ATOM 291 C GLU A 19 -2.570 3.996 -17.231 1.00 0.00 C ATOM 292 O GLU A 19 -1.740 3.332 -17.856 1.00 0.00 O ATOM 293 CB GLU A 19 -2.441 6.465 -16.895 1.00 0.00 C ATOM 294 CG GLU A 19 -0.926 6.516 -17.105 1.00 0.00 C ATOM 295 CD GLU A 19 -0.369 7.800 -16.497 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.064 7.788 -15.315 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.256 8.775 -17.223 1.00 0.00 O ATOM 0 H GLU A 19 -4.886 6.207 -17.203 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.716 5.474 -18.789 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.887 7.424 -17.159 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.666 6.287 -15.843 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.455 5.648 -16.643 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.694 6.475 -18.169 1.00 0.00 H new ATOM 304 N PHE A 20 -3.109 3.594 -16.076 1.00 0.00 N ATOM 305 CA PHE A 20 -2.738 2.315 -15.475 1.00 0.00 C ATOM 306 C PHE A 20 -3.533 1.174 -16.098 1.00 0.00 C ATOM 307 O PHE A 20 -2.973 0.133 -16.421 1.00 0.00 O ATOM 308 CB PHE A 20 -3.009 2.323 -13.970 1.00 0.00 C ATOM 309 CG PHE A 20 -1.853 2.966 -13.246 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.827 4.352 -13.060 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.813 2.172 -12.749 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.759 4.946 -12.381 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.254 2.763 -12.067 1.00 0.00 C ATOM 314 CZ PHE A 20 0.283 4.152 -11.883 1.00 0.00 C ATOM 0 H PHE A 20 -3.796 4.130 -15.546 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.674 2.168 -15.658 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.930 2.867 -13.760 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.153 1.304 -13.612 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.632 4.963 -13.441 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.835 1.102 -12.893 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.737 6.017 -12.240 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.055 2.150 -11.682 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.108 4.610 -11.358 1.00 0.00 H new ATOM 324 N LYS A 21 -4.847 1.378 -16.251 1.00 0.00 N ATOM 325 CA LYS A 21 -5.721 0.347 -16.824 1.00 0.00 C ATOM 326 C LYS A 21 -5.188 -0.158 -18.169 1.00 0.00 C ATOM 327 O LYS A 21 -5.251 -1.354 -18.453 1.00 0.00 O ATOM 328 CB LYS A 21 -7.142 0.887 -17.007 1.00 0.00 C ATOM 329 CG LYS A 21 -8.113 -0.277 -17.239 1.00 0.00 C ATOM 330 CD LYS A 21 -8.290 -1.065 -15.938 1.00 0.00 C ATOM 331 CE LYS A 21 -9.673 -1.725 -15.923 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.863 -2.457 -14.639 1.00 0.00 N ATOM 0 H LYS A 21 -5.325 2.240 -15.989 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.738 -0.489 -16.125 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.442 1.453 -16.125 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.174 1.574 -17.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.076 0.102 -17.580 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.732 -0.931 -18.023 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.512 -1.824 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.183 -0.400 -15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.449 -0.969 -16.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.768 -2.413 -16.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.802 -2.904 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.130 -3.189 -14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.790 -1.790 -13.845 1.00 0.00 H new ATOM 346 N ALA A 22 -4.649 0.757 -18.986 1.00 0.00 N ATOM 347 CA ALA A 22 -4.093 0.373 -20.291 1.00 0.00 C ATOM 348 C ALA A 22 -2.997 -0.674 -20.098 1.00 0.00 C ATOM 349 O ALA A 22 -3.049 -1.762 -20.676 1.00 0.00 O ATOM 350 CB ALA A 22 -3.500 1.588 -21.006 1.00 0.00 C ATOM 0 H ALA A 22 -4.586 1.752 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.900 -0.038 -20.898 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.094 1.281 -21.970 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.279 2.335 -21.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.704 2.016 -20.397 1.00 0.00 H new ATOM 356 N ALA A 23 -2.021 -0.337 -19.250 1.00 0.00 N ATOM 357 CA ALA A 23 -0.925 -1.250 -18.941 1.00 0.00 C ATOM 358 C ALA A 23 -1.464 -2.462 -18.182 1.00 0.00 C ATOM 359 O ALA A 23 -1.004 -3.585 -18.365 1.00 0.00 O ATOM 360 CB ALA A 23 0.130 -0.549 -18.079 1.00 0.00 C ATOM 0 H ALA A 23 -1.970 0.560 -18.768 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.467 -1.570 -19.877 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.940 -1.244 -17.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.527 0.311 -18.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.325 -0.214 -17.147 1.00 0.00 H new ATOM 366 N PHE A 24 -2.462 -2.213 -17.333 1.00 0.00 N ATOM 367 CA PHE A 24 -3.085 -3.274 -16.548 1.00 0.00 C ATOM 368 C PHE A 24 -3.614 -4.378 -17.467 1.00 0.00 C ATOM 369 O PHE A 24 -3.461 -5.559 -17.176 1.00 0.00 O ATOM 370 CB PHE A 24 -4.248 -2.706 -15.723 1.00 0.00 C ATOM 371 CG PHE A 24 -4.677 -3.703 -14.674 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.520 -4.765 -15.018 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.233 -3.563 -13.355 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.918 -5.685 -14.045 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.629 -4.483 -12.382 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.472 -5.544 -12.728 1.00 0.00 C ATOM 0 H PHE A 24 -2.855 -1.285 -17.173 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.332 -3.692 -15.880 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.945 -1.774 -15.247 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.088 -2.471 -16.377 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.863 -4.874 -16.036 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.583 -2.742 -13.089 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.570 -6.504 -14.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.285 -4.375 -11.364 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.779 -6.256 -11.976 1.00 0.00 H new ATOM 386 N ASP A 25 -4.236 -3.971 -18.579 1.00 0.00 N ATOM 387 CA ASP A 25 -4.792 -4.928 -19.540 1.00 0.00 C ATOM 388 C ASP A 25 -3.699 -5.812 -20.146 1.00 0.00 C ATOM 389 O ASP A 25 -3.859 -7.030 -20.240 1.00 0.00 O ATOM 390 CB ASP A 25 -5.522 -4.195 -20.673 1.00 0.00 C ATOM 391 CG ASP A 25 -6.924 -3.798 -20.214 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.724 -4.689 -19.972 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.179 -2.610 -20.114 1.00 0.00 O ATOM 0 H ASP A 25 -4.366 -2.992 -18.834 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.495 -5.558 -18.995 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.960 -3.308 -20.966 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.585 -4.836 -21.552 1.00 0.00 H new ATOM 398 N ILE A 26 -2.589 -5.189 -20.559 1.00 0.00 N ATOM 399 CA ILE A 26 -1.480 -5.945 -21.161 1.00 0.00 C ATOM 400 C ILE A 26 -0.761 -6.796 -20.105 1.00 0.00 C ATOM 401 O ILE A 26 -0.387 -7.939 -20.374 1.00 0.00 O ATOM 402 CB ILE A 26 -0.471 -5.015 -21.859 1.00 0.00 C ATOM 403 CG1 ILE A 26 -0.016 -3.908 -20.898 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.136 -4.383 -23.085 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.040 -3.025 -21.567 1.00 0.00 C ATOM 0 H ILE A 26 -2.434 -4.183 -20.491 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.912 -6.604 -21.914 1.00 0.00 H new ATOM 0 HB ILE A 26 0.399 -5.596 -22.165 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.871 -3.302 -20.600 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.393 -4.351 -19.990 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.426 -3.723 -23.584 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.449 -5.167 -23.774 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.007 -3.808 -22.771 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.354 -2.244 -20.874 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.902 -3.633 -21.842 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.618 -2.568 -22.462 1.00 0.00 H new ATOM 417 N PHE A 27 -0.582 -6.235 -18.903 1.00 0.00 N ATOM 418 CA PHE A 27 0.082 -6.966 -17.815 1.00 0.00 C ATOM 419 C PHE A 27 -0.821 -8.085 -17.276 1.00 0.00 C ATOM 420 O PHE A 27 -0.332 -9.108 -16.793 1.00 0.00 O ATOM 421 CB PHE A 27 0.463 -6.015 -16.672 1.00 0.00 C ATOM 422 CG PHE A 27 1.686 -5.222 -17.076 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.901 -5.880 -17.302 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.601 -3.835 -17.247 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.028 -5.153 -17.701 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.730 -3.108 -17.642 1.00 0.00 C ATOM 427 CZ PHE A 27 3.943 -3.768 -17.872 1.00 0.00 C ATOM 0 H PHE A 27 -0.882 -5.291 -18.660 1.00 0.00 H new ATOM 0 HA PHE A 27 0.990 -7.411 -18.222 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.365 -5.342 -16.451 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.665 -6.581 -15.763 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.968 -6.950 -17.168 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.664 -3.326 -17.074 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.964 -5.662 -17.877 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.665 -2.037 -17.769 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.813 -3.208 -18.181 1.00 0.00 H new ATOM 437 N ILE A 28 -2.142 -7.887 -17.383 1.00 0.00 N ATOM 438 CA ILE A 28 -3.109 -8.887 -16.925 1.00 0.00 C ATOM 439 C ILE A 28 -3.716 -9.605 -18.149 1.00 0.00 C ATOM 440 O ILE A 28 -4.911 -9.897 -18.215 1.00 0.00 O ATOM 441 CB ILE A 28 -4.186 -8.199 -16.051 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.708 -9.175 -14.983 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.352 -7.662 -16.896 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.628 -10.227 -15.607 1.00 0.00 C ATOM 0 H ILE A 28 -2.561 -7.047 -17.781 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.621 -9.641 -16.308 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.716 -7.347 -15.560 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.868 -9.666 -14.492 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.249 -8.623 -14.214 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.085 -7.187 -16.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.976 -6.931 -17.612 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.823 -8.486 -17.432 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.984 -10.905 -14.831 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.479 -9.734 -16.076 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.077 -10.793 -16.358 1.00 0.00 H new ATOM 456 N GLN A 29 -2.848 -9.888 -19.123 1.00 0.00 N ATOM 457 CA GLN A 29 -3.265 -10.566 -20.350 1.00 0.00 C ATOM 458 C GLN A 29 -3.406 -12.068 -20.110 1.00 0.00 C ATOM 459 O GLN A 29 -4.458 -12.654 -20.374 1.00 0.00 O ATOM 460 CB GLN A 29 -2.233 -10.328 -21.458 1.00 0.00 C ATOM 461 CG GLN A 29 -2.792 -10.811 -22.796 1.00 0.00 C ATOM 462 CD GLN A 29 -3.575 -9.680 -23.459 1.00 0.00 C ATOM 463 OE1 GLN A 29 -4.799 -9.739 -23.553 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.933 -8.642 -23.927 1.00 0.00 N ATOM 0 H GLN A 29 -1.855 -9.658 -19.085 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.230 -10.160 -20.654 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.987 -9.268 -21.517 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.309 -10.857 -21.227 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.979 -11.135 -23.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.440 -11.674 -22.641 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.917 -8.593 -23.849 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.448 -7.881 -24.370 1.00 0.00 H new ATOM 473 N ASP A 30 -2.330 -12.682 -19.611 1.00 0.00 N ATOM 474 CA ASP A 30 -2.334 -14.124 -19.340 1.00 0.00 C ATOM 475 C ASP A 30 -3.029 -14.455 -18.007 1.00 0.00 C ATOM 476 O ASP A 30 -3.158 -15.629 -17.650 1.00 0.00 O ATOM 477 CB ASP A 30 -0.896 -14.663 -19.301 1.00 0.00 C ATOM 478 CG ASP A 30 -0.115 -14.004 -18.162 1.00 0.00 C ATOM 479 OD1 ASP A 30 0.418 -12.927 -18.380 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.062 -14.586 -17.091 1.00 0.00 O ATOM 0 H ASP A 30 -1.453 -12.210 -19.388 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.891 -14.600 -20.147 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.909 -15.744 -19.165 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.401 -14.467 -20.252 1.00 0.00 H new ATOM 485 N ALA A 31 -3.487 -13.425 -17.279 1.00 0.00 N ATOM 486 CA ALA A 31 -4.171 -13.646 -16.005 1.00 0.00 C ATOM 487 C ALA A 31 -5.686 -13.558 -16.196 1.00 0.00 C ATOM 488 O ALA A 31 -6.172 -12.906 -17.124 1.00 0.00 O ATOM 489 CB ALA A 31 -3.726 -12.609 -14.971 1.00 0.00 C ATOM 0 H ALA A 31 -3.396 -12.446 -17.549 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.910 -14.641 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.245 -12.788 -14.029 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.650 -12.690 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.965 -11.609 -15.332 1.00 0.00 H new ATOM 495 N GLU A 32 -6.425 -14.225 -15.309 1.00 0.00 N ATOM 496 CA GLU A 32 -7.891 -14.222 -15.385 1.00 0.00 C ATOM 497 C GLU A 32 -8.513 -14.014 -13.997 1.00 0.00 C ATOM 498 O GLU A 32 -9.542 -14.607 -13.664 1.00 0.00 O ATOM 499 CB GLU A 32 -8.401 -15.543 -15.981 1.00 0.00 C ATOM 500 CG GLU A 32 -7.839 -16.731 -15.188 1.00 0.00 C ATOM 501 CD GLU A 32 -8.955 -17.728 -14.897 1.00 0.00 C ATOM 502 OE1 GLU A 32 -9.602 -17.583 -13.872 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.147 -18.625 -15.702 1.00 0.00 O ATOM 0 H GLU A 32 -6.041 -14.769 -14.537 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.188 -13.396 -16.031 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.491 -15.564 -15.959 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.101 -15.619 -17.026 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.044 -17.216 -15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.398 -16.382 -14.255 1.00 0.00 H new ATOM 510 N ASP A 33 -7.873 -13.161 -13.192 1.00 0.00 N ATOM 511 CA ASP A 33 -8.366 -12.875 -11.842 1.00 0.00 C ATOM 512 C ASP A 33 -8.668 -11.383 -11.663 1.00 0.00 C ATOM 513 O ASP A 33 -9.580 -11.012 -10.920 1.00 0.00 O ATOM 514 CB ASP A 33 -7.333 -13.307 -10.794 1.00 0.00 C ATOM 515 CG ASP A 33 -7.348 -14.828 -10.657 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.774 -15.488 -11.508 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.933 -15.311 -9.701 1.00 0.00 O ATOM 0 H ASP A 33 -7.021 -12.661 -13.448 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.289 -13.439 -11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.339 -12.968 -11.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.558 -12.843 -9.834 1.00 0.00 H new ATOM 522 N GLY A 34 -7.892 -10.533 -12.345 1.00 0.00 N ATOM 523 CA GLY A 34 -8.078 -9.083 -12.251 1.00 0.00 C ATOM 524 C GLY A 34 -6.928 -8.440 -11.476 1.00 0.00 C ATOM 525 O GLY A 34 -7.138 -7.529 -10.672 1.00 0.00 O ATOM 0 H GLY A 34 -7.135 -10.823 -12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.134 -8.653 -13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.024 -8.864 -11.756 1.00 0.00 H new ATOM 529 N CYS A 35 -5.710 -8.933 -11.725 1.00 0.00 N ATOM 530 CA CYS A 35 -4.521 -8.414 -11.051 1.00 0.00 C ATOM 531 C CYS A 35 -3.258 -8.786 -11.829 1.00 0.00 C ATOM 532 O CYS A 35 -3.129 -9.909 -12.324 1.00 0.00 O ATOM 533 CB CYS A 35 -4.422 -8.981 -9.633 1.00 0.00 C ATOM 534 SG CYS A 35 -4.679 -10.775 -9.672 1.00 0.00 S ATOM 0 H CYS A 35 -5.525 -9.688 -12.386 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.608 -7.329 -11.003 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.445 -8.753 -9.207 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.167 -8.511 -8.990 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.154 -11.265 -10.756 1.00 0.00 H new ATOM 540 N ILE A 36 -2.325 -7.837 -11.922 1.00 0.00 N ATOM 541 CA ILE A 36 -1.067 -8.081 -12.637 1.00 0.00 C ATOM 542 C ILE A 36 -0.080 -8.817 -11.725 1.00 0.00 C ATOM 543 O ILE A 36 -0.391 -9.117 -10.572 1.00 0.00 O ATOM 544 CB ILE A 36 -0.439 -6.761 -13.129 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.104 -5.955 -11.939 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.491 -5.929 -13.868 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.634 -6.049 -11.909 1.00 0.00 C ATOM 0 H ILE A 36 -2.412 -6.904 -11.518 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.288 -8.699 -13.507 1.00 0.00 H new ATOM 0 HB ILE A 36 0.382 -6.996 -13.806 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.205 -4.913 -12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.312 -6.338 -11.007 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.042 -4.998 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.864 -6.491 -14.724 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.317 -5.705 -13.193 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.017 -5.477 -11.064 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.932 -7.092 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.042 -5.645 -12.836 1.00 0.00 H new ATOM 559 N SER A 37 1.108 -9.109 -12.255 1.00 0.00 N ATOM 560 CA SER A 37 2.125 -9.817 -11.477 1.00 0.00 C ATOM 561 C SER A 37 3.041 -8.828 -10.752 1.00 0.00 C ATOM 562 O SER A 37 3.832 -8.123 -11.381 1.00 0.00 O ATOM 563 CB SER A 37 2.973 -10.709 -12.390 1.00 0.00 C ATOM 564 OG SER A 37 3.231 -11.941 -11.733 1.00 0.00 O ATOM 0 H SER A 37 1.388 -8.870 -13.206 1.00 0.00 H new ATOM 0 HA SER A 37 1.611 -10.434 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.451 -10.887 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.911 -10.211 -12.635 1.00 0.00 H new ATOM 0 HG SER A 37 2.864 -12.678 -12.264 1.00 0.00 H new ATOM 570 N THR A 38 2.925 -8.792 -9.417 1.00 0.00 N ATOM 571 CA THR A 38 3.756 -7.892 -8.601 1.00 0.00 C ATOM 572 C THR A 38 5.239 -8.148 -8.867 1.00 0.00 C ATOM 573 O THR A 38 6.036 -7.213 -8.944 1.00 0.00 O ATOM 574 CB THR A 38 3.485 -8.085 -7.102 1.00 0.00 C ATOM 575 OG1 THR A 38 3.763 -9.428 -6.731 1.00 0.00 O ATOM 576 CG2 THR A 38 2.027 -7.757 -6.793 1.00 0.00 C ATOM 0 H THR A 38 2.273 -9.367 -8.884 1.00 0.00 H new ATOM 0 HA THR A 38 3.497 -6.871 -8.881 1.00 0.00 H new ATOM 0 HB THR A 38 4.131 -7.415 -6.534 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.207 -9.441 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.841 -7.896 -5.728 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.821 -6.722 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.376 -8.419 -7.364 1.00 0.00 H new ATOM 584 N LYS A 39 5.595 -9.429 -9.022 1.00 0.00 N ATOM 585 CA LYS A 39 6.988 -9.799 -9.304 1.00 0.00 C ATOM 586 C LYS A 39 7.451 -9.167 -10.624 1.00 0.00 C ATOM 587 O LYS A 39 8.632 -8.861 -10.797 1.00 0.00 O ATOM 588 CB LYS A 39 7.157 -11.325 -9.379 1.00 0.00 C ATOM 589 CG LYS A 39 6.166 -11.926 -10.386 1.00 0.00 C ATOM 590 CD LYS A 39 5.375 -13.055 -9.716 1.00 0.00 C ATOM 591 CE LYS A 39 5.185 -14.210 -10.704 1.00 0.00 C ATOM 592 NZ LYS A 39 5.191 -15.505 -9.965 1.00 0.00 N ATOM 0 H LYS A 39 4.949 -10.216 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 39 7.601 -9.423 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.177 -11.570 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.995 -11.764 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.485 -11.155 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.702 -12.309 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.903 -13.406 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.405 -12.685 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.245 -14.091 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.981 -14.200 -11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.062 -16.289 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.099 -15.619 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.416 -15.512 -9.271 1.00 0.00 H new ATOM 606 N GLU A 40 6.496 -8.956 -11.542 1.00 0.00 N ATOM 607 CA GLU A 40 6.797 -8.339 -12.835 1.00 0.00 C ATOM 608 C GLU A 40 6.445 -6.842 -12.818 1.00 0.00 C ATOM 609 O GLU A 40 6.323 -6.213 -13.872 1.00 0.00 O ATOM 610 CB GLU A 40 6.003 -9.024 -13.955 1.00 0.00 C ATOM 611 CG GLU A 40 6.431 -10.491 -14.073 1.00 0.00 C ATOM 612 CD GLU A 40 7.667 -10.595 -14.963 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.762 -10.447 -14.443 1.00 0.00 O ATOM 614 OE2 GLU A 40 7.501 -10.820 -16.150 1.00 0.00 O ATOM 0 H GLU A 40 5.515 -9.203 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 40 7.865 -8.457 -13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.935 -8.963 -13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.172 -8.509 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.647 -10.898 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.618 -11.085 -14.492 1.00 0.00 H new ATOM 621 N LEU A 41 6.287 -6.276 -11.609 1.00 0.00 N ATOM 622 CA LEU A 41 5.956 -4.855 -11.464 1.00 0.00 C ATOM 623 C LEU A 41 7.072 -3.973 -12.033 1.00 0.00 C ATOM 624 O LEU A 41 6.820 -2.855 -12.466 1.00 0.00 O ATOM 625 CB LEU A 41 5.731 -4.499 -9.989 1.00 0.00 C ATOM 626 CG LEU A 41 5.432 -3.021 -9.697 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.180 -2.580 -10.463 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.203 -2.836 -8.194 1.00 0.00 C ATOM 0 H LEU A 41 6.383 -6.779 -10.727 1.00 0.00 H new ATOM 0 HA LEU A 41 5.038 -4.672 -12.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.903 -5.099 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.618 -4.789 -9.425 1.00 0.00 H new ATOM 0 HG LEU A 41 6.279 -2.414 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.974 -1.531 -10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.344 -2.708 -11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.330 -3.187 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.991 -1.788 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.358 -3.448 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.097 -3.141 -7.650 1.00 0.00 H new ATOM 640 N GLY A 42 8.308 -4.490 -12.038 1.00 0.00 N ATOM 641 CA GLY A 42 9.444 -3.734 -12.573 1.00 0.00 C ATOM 642 C GLY A 42 9.280 -3.455 -14.076 1.00 0.00 C ATOM 643 O GLY A 42 9.937 -2.568 -14.623 1.00 0.00 O ATOM 0 H GLY A 42 8.543 -5.417 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.540 -2.791 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.365 -4.292 -12.404 1.00 0.00 H new ATOM 647 N LYS A 43 8.390 -4.215 -14.733 1.00 0.00 N ATOM 648 CA LYS A 43 8.141 -4.036 -16.167 1.00 0.00 C ATOM 649 C LYS A 43 7.144 -2.901 -16.403 1.00 0.00 C ATOM 650 O LYS A 43 7.209 -2.203 -17.415 1.00 0.00 O ATOM 651 CB LYS A 43 7.579 -5.321 -16.783 1.00 0.00 C ATOM 652 CG LYS A 43 8.649 -6.415 -16.760 1.00 0.00 C ATOM 653 CD LYS A 43 8.052 -7.727 -17.279 1.00 0.00 C ATOM 654 CE LYS A 43 8.387 -7.894 -18.765 1.00 0.00 C ATOM 655 NZ LYS A 43 7.405 -7.135 -19.593 1.00 0.00 N ATOM 0 H LYS A 43 7.837 -4.952 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 43 9.092 -3.791 -16.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.700 -5.647 -16.228 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.258 -5.134 -17.808 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.498 -6.121 -17.377 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.024 -6.550 -15.745 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.448 -8.568 -16.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.971 -7.727 -17.138 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.397 -7.535 -18.962 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.366 -8.950 -19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.248 -7.635 -20.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.505 -7.056 -19.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.777 -6.183 -19.787 1.00 0.00 H new ATOM 669 N VAL A 44 6.224 -2.722 -15.452 1.00 0.00 N ATOM 670 CA VAL A 44 5.220 -1.665 -15.557 1.00 0.00 C ATOM 671 C VAL A 44 5.701 -0.404 -14.832 1.00 0.00 C ATOM 672 O VAL A 44 5.453 0.714 -15.284 1.00 0.00 O ATOM 673 CB VAL A 44 3.877 -2.131 -14.976 1.00 0.00 C ATOM 674 CG1 VAL A 44 4.008 -2.399 -13.476 1.00 0.00 C ATOM 675 CG2 VAL A 44 2.816 -1.053 -15.217 1.00 0.00 C ATOM 0 H VAL A 44 6.155 -3.291 -14.608 1.00 0.00 H new ATOM 0 HA VAL A 44 5.076 -1.432 -16.612 1.00 0.00 H new ATOM 0 HB VAL A 44 3.580 -3.056 -15.471 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.047 -2.728 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.755 -3.175 -13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.315 -1.485 -12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.862 -1.383 -14.805 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.121 -0.127 -14.730 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.709 -0.881 -16.288 1.00 0.00 H new ATOM 685 N MET A 45 6.400 -0.600 -13.706 1.00 0.00 N ATOM 686 CA MET A 45 6.925 0.521 -12.925 1.00 0.00 C ATOM 687 C MET A 45 7.839 1.392 -13.785 1.00 0.00 C ATOM 688 O MET A 45 7.826 2.617 -13.671 1.00 0.00 O ATOM 689 CB MET A 45 7.712 0.015 -11.710 1.00 0.00 C ATOM 690 CG MET A 45 7.640 1.049 -10.583 1.00 0.00 C ATOM 691 SD MET A 45 8.165 0.284 -9.028 1.00 0.00 S ATOM 692 CE MET A 45 8.114 1.780 -8.012 1.00 0.00 C ATOM 0 H MET A 45 6.613 -1.520 -13.320 1.00 0.00 H new ATOM 0 HA MET A 45 6.077 1.113 -12.582 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.303 -0.937 -11.370 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.751 -0.165 -11.986 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.279 1.901 -10.815 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.623 1.429 -10.488 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.773 1.527 -7.008 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.111 2.217 -7.957 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.427 2.499 -8.458 1.00 0.00 H new ATOM 702 N ARG A 46 8.625 0.748 -14.661 1.00 0.00 N ATOM 703 CA ARG A 46 9.529 1.490 -15.548 1.00 0.00 C ATOM 704 C ARG A 46 8.725 2.421 -16.459 1.00 0.00 C ATOM 705 O ARG A 46 9.168 3.525 -16.781 1.00 0.00 O ATOM 706 CB ARG A 46 10.379 0.534 -16.401 1.00 0.00 C ATOM 707 CG ARG A 46 9.478 -0.418 -17.194 1.00 0.00 C ATOM 708 CD ARG A 46 10.264 -1.021 -18.361 1.00 0.00 C ATOM 709 NE ARG A 46 9.374 -1.763 -19.257 1.00 0.00 N ATOM 710 CZ ARG A 46 9.788 -2.219 -20.448 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.020 -2.017 -20.853 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.954 -2.874 -21.215 1.00 0.00 N ATOM 0 H ARG A 46 8.653 -0.265 -14.773 1.00 0.00 H new ATOM 0 HA ARG A 46 10.200 2.082 -14.926 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.006 1.106 -17.085 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.048 -0.039 -15.759 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.109 -1.211 -16.544 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.606 0.119 -17.569 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.767 -0.229 -18.915 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.039 -1.685 -17.979 1.00 0.00 H new ATOM 0 HE ARG A 46 8.412 -1.938 -18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.675 -1.508 -20.259 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.322 -2.369 -21.761 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.995 -3.035 -20.906 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.263 -3.224 -22.122 1.00 0.00 H new ATOM 726 N MET A 47 7.522 1.972 -16.844 1.00 0.00 N ATOM 727 CA MET A 47 6.639 2.778 -17.690 1.00 0.00 C ATOM 728 C MET A 47 6.129 3.987 -16.899 1.00 0.00 C ATOM 729 O MET A 47 5.921 5.066 -17.457 1.00 0.00 O ATOM 730 CB MET A 47 5.442 1.946 -18.172 1.00 0.00 C ATOM 731 CG MET A 47 5.917 0.882 -19.166 1.00 0.00 C ATOM 732 SD MET A 47 6.319 1.667 -20.747 1.00 0.00 S ATOM 733 CE MET A 47 7.818 0.715 -21.101 1.00 0.00 C ATOM 0 H MET A 47 7.143 1.062 -16.584 1.00 0.00 H new ATOM 0 HA MET A 47 7.206 3.115 -18.558 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.952 1.470 -17.322 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.703 2.594 -18.644 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.792 0.366 -18.771 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.141 0.130 -19.308 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.241 1.042 -22.051 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.546 0.874 -20.306 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.571 -0.345 -21.159 1.00 0.00 H new ATOM 743 N LEU A 48 5.954 3.791 -15.584 1.00 0.00 N ATOM 744 CA LEU A 48 5.494 4.863 -14.698 1.00 0.00 C ATOM 745 C LEU A 48 6.586 5.928 -14.551 1.00 0.00 C ATOM 746 O LEU A 48 6.296 7.118 -14.416 1.00 0.00 O ATOM 747 CB LEU A 48 5.167 4.307 -13.306 1.00 0.00 C ATOM 748 CG LEU A 48 3.736 3.795 -13.106 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.425 2.701 -14.130 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.603 3.217 -11.692 1.00 0.00 C ATOM 0 H LEU A 48 6.124 2.902 -15.114 1.00 0.00 H new ATOM 0 HA LEU A 48 4.598 5.303 -15.137 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.857 3.491 -13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.358 5.088 -12.570 1.00 0.00 H new ATOM 0 HG LEU A 48 3.036 4.620 -13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.406 2.342 -13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.524 3.107 -15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.123 1.874 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.587 2.851 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.307 2.394 -11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.820 3.994 -10.959 1.00 0.00 H new ATOM 762 N GLY A 49 7.848 5.477 -14.582 1.00 0.00 N ATOM 763 CA GLY A 49 8.990 6.387 -14.456 1.00 0.00 C ATOM 764 C GLY A 49 10.027 5.896 -13.431 1.00 0.00 C ATOM 765 O GLY A 49 11.027 6.575 -13.191 1.00 0.00 O ATOM 0 H GLY A 49 8.100 4.495 -14.692 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.470 6.498 -15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.633 7.374 -14.162 1.00 0.00 H new ATOM 769 N GLN A 50 9.788 4.723 -12.824 1.00 0.00 N ATOM 770 CA GLN A 50 10.721 4.179 -11.830 1.00 0.00 C ATOM 771 C GLN A 50 11.129 2.754 -12.194 1.00 0.00 C ATOM 772 O GLN A 50 10.285 1.913 -12.502 1.00 0.00 O ATOM 773 CB GLN A 50 10.080 4.172 -10.435 1.00 0.00 C ATOM 774 CG GLN A 50 9.480 5.549 -10.130 1.00 0.00 C ATOM 775 CD GLN A 50 7.957 5.473 -10.200 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.324 4.801 -9.384 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.323 6.127 -11.135 1.00 0.00 N ATOM 0 H GLN A 50 8.969 4.142 -13.002 1.00 0.00 H new ATOM 0 HA GLN A 50 11.605 4.817 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.304 3.408 -10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.827 3.916 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.792 5.881 -9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.850 6.284 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.845 6.684 -11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.305 6.081 -11.189 1.00 0.00 H new ATOM 786 N ASN A 51 12.437 2.492 -12.155 1.00 0.00 N ATOM 787 CA ASN A 51 12.952 1.162 -12.488 1.00 0.00 C ATOM 788 C ASN A 51 13.903 0.652 -11.394 1.00 0.00 C ATOM 789 O ASN A 51 15.124 0.646 -11.563 1.00 0.00 O ATOM 790 CB ASN A 51 13.674 1.188 -13.847 1.00 0.00 C ATOM 791 CG ASN A 51 14.633 2.379 -13.924 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.826 2.244 -13.653 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.177 3.548 -14.286 1.00 0.00 N ATOM 0 H ASN A 51 13.151 3.174 -11.900 1.00 0.00 H new ATOM 0 HA ASN A 51 12.105 0.479 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.227 0.259 -13.989 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.942 1.250 -14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.809 4.346 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.189 3.663 -14.511 1.00 0.00 H new ATOM 800 N PRO A 52 13.342 0.213 -10.258 1.00 0.00 N ATOM 801 CA PRO A 52 14.136 -0.306 -9.124 1.00 0.00 C ATOM 802 C PRO A 52 14.509 -1.787 -9.291 1.00 0.00 C ATOM 803 O PRO A 52 14.498 -2.321 -10.403 1.00 0.00 O ATOM 804 CB PRO A 52 13.175 -0.111 -7.954 1.00 0.00 C ATOM 805 CG PRO A 52 11.765 -0.087 -8.531 1.00 0.00 C ATOM 806 CD PRO A 52 11.883 0.212 -10.030 1.00 0.00 C ATOM 0 HA PRO A 52 15.096 0.198 -9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.281 -0.919 -7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.392 0.819 -7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.269 -1.044 -8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.161 0.673 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.381 -0.545 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.434 1.172 -10.286 1.00 0.00 H new ATOM 814 N THR A 53 14.831 -2.440 -8.170 1.00 0.00 N ATOM 815 CA THR A 53 15.196 -3.861 -8.189 1.00 0.00 C ATOM 816 C THR A 53 13.992 -4.699 -7.746 1.00 0.00 C ATOM 817 O THR A 53 12.994 -4.146 -7.279 1.00 0.00 O ATOM 818 CB THR A 53 16.390 -4.125 -7.246 1.00 0.00 C ATOM 819 OG1 THR A 53 15.931 -4.242 -5.905 1.00 0.00 O ATOM 820 CG2 THR A 53 17.397 -2.978 -7.334 1.00 0.00 C ATOM 0 H THR A 53 14.847 -2.012 -7.244 1.00 0.00 H new ATOM 0 HA THR A 53 15.486 -4.139 -9.202 1.00 0.00 H new ATOM 0 HB THR A 53 16.874 -5.053 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.693 -4.411 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.234 -3.176 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.763 -2.893 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.913 -2.046 -7.043 1.00 0.00 H new ATOM 828 N PRO A 54 14.065 -6.034 -7.863 1.00 0.00 N ATOM 829 CA PRO A 54 12.953 -6.910 -7.443 1.00 0.00 C ATOM 830 C PRO A 54 12.805 -6.965 -5.922 1.00 0.00 C ATOM 831 O PRO A 54 11.709 -7.185 -5.402 1.00 0.00 O ATOM 832 CB PRO A 54 13.345 -8.260 -8.035 1.00 0.00 C ATOM 833 CG PRO A 54 14.849 -8.225 -8.249 1.00 0.00 C ATOM 834 CD PRO A 54 15.245 -6.754 -8.395 1.00 0.00 C ATOM 0 HA PRO A 54 11.979 -6.561 -7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.069 -9.072 -7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.824 -8.435 -8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.369 -8.683 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.125 -8.789 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.148 -6.522 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.443 -6.491 -9.434 1.00 0.00 H new ATOM 842 N GLU A 55 13.916 -6.726 -5.216 1.00 0.00 N ATOM 843 CA GLU A 55 13.896 -6.712 -3.755 1.00 0.00 C ATOM 844 C GLU A 55 13.379 -5.359 -3.256 1.00 0.00 C ATOM 845 O GLU A 55 12.660 -5.287 -2.258 1.00 0.00 O ATOM 846 CB GLU A 55 15.301 -6.949 -3.183 1.00 0.00 C ATOM 847 CG GLU A 55 15.891 -8.250 -3.746 1.00 0.00 C ATOM 848 CD GLU A 55 15.007 -9.434 -3.359 1.00 0.00 C ATOM 849 OE1 GLU A 55 15.132 -9.901 -2.238 1.00 0.00 O ATOM 850 OE2 GLU A 55 14.220 -9.858 -4.190 1.00 0.00 O ATOM 0 H GLU A 55 14.830 -6.542 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 55 13.237 -7.513 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.950 -6.109 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.254 -7.003 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.970 -8.184 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.900 -8.398 -3.361 1.00 0.00 H new ATOM 857 N GLU A 56 13.758 -4.287 -3.969 1.00 0.00 N ATOM 858 CA GLU A 56 13.335 -2.933 -3.602 1.00 0.00 C ATOM 859 C GLU A 56 11.849 -2.720 -3.896 1.00 0.00 C ATOM 860 O GLU A 56 11.138 -2.101 -3.107 1.00 0.00 O ATOM 861 CB GLU A 56 14.147 -1.889 -4.373 1.00 0.00 C ATOM 862 CG GLU A 56 15.456 -1.605 -3.631 1.00 0.00 C ATOM 863 CD GLU A 56 16.146 -0.399 -4.260 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.781 0.713 -3.918 1.00 0.00 O ATOM 865 OE2 GLU A 56 17.032 -0.605 -5.074 1.00 0.00 O ATOM 0 H GLU A 56 14.352 -4.334 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 56 13.507 -2.817 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.359 -2.249 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.570 -0.970 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.255 -1.413 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.109 -2.476 -3.678 1.00 0.00 H new ATOM 872 N LEU A 57 11.388 -3.235 -5.042 1.00 0.00 N ATOM 873 CA LEU A 57 9.983 -3.088 -5.426 1.00 0.00 C ATOM 874 C LEU A 57 9.079 -4.017 -4.607 1.00 0.00 C ATOM 875 O LEU A 57 7.887 -3.748 -4.450 1.00 0.00 O ATOM 876 CB LEU A 57 9.796 -3.384 -6.921 1.00 0.00 C ATOM 877 CG LEU A 57 10.100 -4.822 -7.369 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.865 -5.707 -7.167 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.475 -4.818 -8.855 1.00 0.00 C ATOM 0 H LEU A 57 11.960 -3.750 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 57 9.698 -2.056 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.766 -3.151 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.434 -2.706 -7.487 1.00 0.00 H new ATOM 0 HG LEU A 57 10.925 -5.215 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.090 -6.724 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.589 -5.711 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.036 -5.316 -7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.692 -5.836 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.645 -4.421 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.356 -4.194 -9.006 1.00 0.00 H new ATOM 891 N GLN A 58 9.651 -5.115 -4.094 1.00 0.00 N ATOM 892 CA GLN A 58 8.876 -6.076 -3.301 1.00 0.00 C ATOM 893 C GLN A 58 8.252 -5.405 -2.076 1.00 0.00 C ATOM 894 O GLN A 58 7.045 -5.511 -1.858 1.00 0.00 O ATOM 895 CB GLN A 58 9.758 -7.241 -2.836 1.00 0.00 C ATOM 896 CG GLN A 58 9.335 -8.527 -3.556 1.00 0.00 C ATOM 897 CD GLN A 58 7.894 -8.881 -3.183 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.923 -8.563 -3.999 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 7.644 -9.461 -2.126 1.00 0.00 N flip ATOM 0 H GLN A 58 10.635 -5.357 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 58 8.083 -6.457 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.805 -7.023 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.668 -7.370 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.419 -8.395 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.002 -9.344 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.401 -9.709 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.680 -9.693 -1.887 1.00 0.00 H new ATOM 908 N GLU A 59 9.081 -4.716 -1.281 1.00 0.00 N ATOM 909 CA GLU A 59 8.587 -4.034 -0.078 1.00 0.00 C ATOM 910 C GLU A 59 7.507 -3.004 -0.433 1.00 0.00 C ATOM 911 O GLU A 59 6.571 -2.788 0.340 1.00 0.00 O ATOM 912 CB GLU A 59 9.732 -3.339 0.675 1.00 0.00 C ATOM 913 CG GLU A 59 10.316 -2.207 -0.178 1.00 0.00 C ATOM 914 CD GLU A 59 11.815 -2.088 0.083 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.550 -2.945 -0.382 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.208 -1.137 0.739 1.00 0.00 O ATOM 0 H GLU A 59 10.083 -4.617 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 59 8.151 -4.795 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.366 -2.940 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.511 -4.062 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.135 -2.404 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.820 -1.266 0.060 1.00 0.00 H new ATOM 923 N MET A 60 7.636 -2.386 -1.615 1.00 0.00 N ATOM 924 CA MET A 60 6.653 -1.397 -2.065 1.00 0.00 C ATOM 925 C MET A 60 5.314 -2.083 -2.311 1.00 0.00 C ATOM 926 O MET A 60 4.257 -1.564 -1.949 1.00 0.00 O ATOM 927 CB MET A 60 7.111 -0.713 -3.358 1.00 0.00 C ATOM 928 CG MET A 60 8.510 -0.126 -3.161 1.00 0.00 C ATOM 929 SD MET A 60 8.791 1.190 -4.373 1.00 0.00 S ATOM 930 CE MET A 60 8.140 2.559 -3.383 1.00 0.00 C ATOM 0 H MET A 60 8.402 -2.552 -2.268 1.00 0.00 H new ATOM 0 HA MET A 60 6.551 -0.640 -1.287 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.119 -1.431 -4.178 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.410 0.076 -3.632 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.611 0.269 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.262 -0.906 -3.275 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.217 3.487 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.095 2.368 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.716 2.648 -2.462 1.00 0.00 H new ATOM 940 N ILE A 61 5.384 -3.269 -2.918 1.00 0.00 N ATOM 941 CA ILE A 61 4.185 -4.056 -3.204 1.00 0.00 C ATOM 942 C ILE A 61 3.536 -4.501 -1.896 1.00 0.00 C ATOM 943 O ILE A 61 2.337 -4.337 -1.709 1.00 0.00 O ATOM 944 CB ILE A 61 4.531 -5.294 -4.041 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.080 -4.850 -5.401 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.274 -6.146 -4.254 1.00 0.00 C ATOM 947 CD1 ILE A 61 6.011 -5.929 -5.953 1.00 0.00 C ATOM 0 H ILE A 61 6.256 -3.704 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 61 3.493 -3.431 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 61 5.281 -5.885 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.259 -4.673 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.619 -3.908 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.526 -7.024 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.881 -6.463 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.520 -5.558 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.401 -5.613 -6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.839 -6.084 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.458 -6.861 -6.072 1.00 0.00 H new ATOM 959 N ASP A 62 4.348 -5.057 -0.991 1.00 0.00 N ATOM 960 CA ASP A 62 3.842 -5.518 0.309 1.00 0.00 C ATOM 961 C ASP A 62 3.026 -4.420 1.005 1.00 0.00 C ATOM 962 O ASP A 62 2.059 -4.709 1.711 1.00 0.00 O ATOM 963 CB ASP A 62 5.002 -5.932 1.224 1.00 0.00 C ATOM 964 CG ASP A 62 5.661 -7.204 0.689 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.967 -8.199 0.552 1.00 0.00 O ATOM 966 OD2 ASP A 62 6.852 -7.165 0.430 1.00 0.00 O ATOM 0 H ASP A 62 5.348 -5.198 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 62 3.198 -6.377 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.736 -5.128 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.635 -6.101 2.236 1.00 0.00 H new ATOM 971 N GLU A 63 3.430 -3.159 0.798 1.00 0.00 N ATOM 972 CA GLU A 63 2.735 -2.022 1.411 1.00 0.00 C ATOM 973 C GLU A 63 1.409 -1.729 0.694 1.00 0.00 C ATOM 974 O GLU A 63 0.351 -1.691 1.326 1.00 0.00 O ATOM 975 CB GLU A 63 3.614 -0.768 1.365 1.00 0.00 C ATOM 976 CG GLU A 63 4.705 -0.867 2.437 1.00 0.00 C ATOM 977 CD GLU A 63 5.183 0.533 2.813 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.604 1.113 3.718 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.123 1.003 2.193 1.00 0.00 O ATOM 0 H GLU A 63 4.228 -2.903 0.216 1.00 0.00 H new ATOM 0 HA GLU A 63 2.526 -2.287 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.067 -0.665 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.006 0.121 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.318 -1.379 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.541 -1.460 2.066 1.00 0.00 H new ATOM 986 N VAL A 64 1.478 -1.512 -0.627 1.00 0.00 N ATOM 987 CA VAL A 64 0.271 -1.209 -1.416 1.00 0.00 C ATOM 988 C VAL A 64 -0.691 -2.406 -1.451 1.00 0.00 C ATOM 989 O VAL A 64 -1.913 -2.231 -1.429 1.00 0.00 O ATOM 990 CB VAL A 64 0.646 -0.802 -2.853 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.366 -1.953 -3.562 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.622 -0.444 -3.633 1.00 0.00 C ATOM 0 H VAL A 64 2.343 -1.539 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.234 -0.375 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 64 1.310 0.061 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.625 -1.650 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.275 -2.205 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.711 -2.824 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.355 -0.156 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.287 -1.307 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.129 0.387 -3.142 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.132 -3.617 -1.501 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.943 -4.832 -1.533 1.00 0.00 C ATOM 1004 C ASP A 65 -1.450 -5.144 -0.126 1.00 0.00 C ATOM 1005 O ASP A 65 -0.719 -5.687 0.706 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.114 -6.018 -2.053 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.867 -6.733 -3.172 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.778 -7.485 -2.864 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.515 -6.523 -4.322 1.00 0.00 O ATOM 0 H ASP A 65 0.875 -3.780 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.788 -4.672 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.850 -5.665 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.090 -6.714 -1.239 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.709 -4.780 0.133 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.314 -5.012 1.450 1.00 0.00 C ATOM 1016 C GLU A 66 -3.323 -6.504 1.776 1.00 0.00 C ATOM 1017 O GLU A 66 -2.960 -6.916 2.879 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.757 -4.484 1.497 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.793 -3.030 1.016 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.971 -2.300 1.659 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.048 -2.335 1.084 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.779 -1.715 2.712 1.00 0.00 O ATOM 0 H GLU A 66 -3.325 -4.328 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.714 -4.476 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.400 -5.100 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.145 -4.550 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.859 -2.529 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.883 -2.999 -0.070 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.738 -7.307 0.795 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.794 -8.761 0.971 1.00 0.00 C ATOM 1031 C ASP A 67 -2.406 -9.388 0.807 1.00 0.00 C ATOM 1032 O ASP A 67 -2.052 -10.323 1.527 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.766 -9.404 -0.035 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.506 -8.875 -1.446 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.991 -7.800 -1.759 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.828 -9.553 -2.194 1.00 0.00 O ATOM 0 H ASP A 67 -4.038 -6.980 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.153 -8.951 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.650 -10.488 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.794 -9.189 0.256 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.629 -8.870 -0.149 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.287 -9.395 -0.399 1.00 0.00 C ATOM 1043 C GLY A 68 -0.366 -10.735 -1.124 1.00 0.00 C ATOM 1044 O GLY A 68 0.286 -11.705 -0.738 1.00 0.00 O ATOM 0 H GLY A 68 -1.903 -8.097 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.283 -8.684 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.245 -9.516 0.545 1.00 0.00 H new ATOM 1048 N SER A 69 -1.186 -10.775 -2.178 1.00 0.00 N ATOM 1049 CA SER A 69 -1.368 -12.000 -2.961 1.00 0.00 C ATOM 1050 C SER A 69 -0.302 -12.146 -4.060 1.00 0.00 C ATOM 1051 O SER A 69 -0.347 -13.096 -4.846 1.00 0.00 O ATOM 1052 CB SER A 69 -2.751 -12.004 -3.620 1.00 0.00 C ATOM 1053 OG SER A 69 -2.890 -10.842 -4.435 1.00 0.00 O ATOM 0 H SER A 69 -1.731 -9.978 -2.507 1.00 0.00 H new ATOM 0 HA SER A 69 -1.271 -12.837 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.876 -12.903 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.530 -12.022 -2.857 1.00 0.00 H new ATOM 0 HG SER A 69 -2.790 -11.090 -5.378 1.00 0.00 H new ATOM 1059 N GLY A 70 0.645 -11.200 -4.125 1.00 0.00 N ATOM 1060 CA GLY A 70 1.686 -11.247 -5.149 1.00 0.00 C ATOM 1061 C GLY A 70 1.129 -10.788 -6.499 1.00 0.00 C ATOM 1062 O GLY A 70 1.681 -11.113 -7.551 1.00 0.00 O ATOM 0 H GLY A 70 0.708 -10.406 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.521 -10.610 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.075 -12.262 -5.235 1.00 0.00 H new ATOM 1066 N THR A 71 0.023 -10.031 -6.452 1.00 0.00 N ATOM 1067 CA THR A 71 -0.613 -9.532 -7.668 1.00 0.00 C ATOM 1068 C THR A 71 -1.212 -8.148 -7.419 1.00 0.00 C ATOM 1069 O THR A 71 -1.964 -7.948 -6.462 1.00 0.00 O ATOM 1070 CB THR A 71 -1.722 -10.489 -8.129 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.777 -10.497 -7.173 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.156 -11.903 -8.263 1.00 0.00 C ATOM 0 H THR A 71 -0.443 -9.755 -5.588 1.00 0.00 H new ATOM 0 HA THR A 71 0.147 -9.465 -8.447 1.00 0.00 H new ATOM 0 HB THR A 71 -2.105 -10.154 -9.093 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.637 -10.579 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.944 -12.581 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.349 -11.904 -8.996 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.770 -12.234 -7.299 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.868 -7.194 -8.287 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.383 -5.832 -8.142 1.00 0.00 C ATOM 1082 C VAL A 72 -2.732 -5.694 -8.834 1.00 0.00 C ATOM 1083 O VAL A 72 -2.835 -5.806 -10.057 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.430 -4.791 -8.743 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.822 -3.397 -8.245 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.012 -5.082 -8.325 1.00 0.00 C ATOM 0 H VAL A 72 -0.247 -7.335 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.482 -5.649 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.502 -4.836 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.146 -2.655 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.844 -3.175 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.755 -3.367 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.675 -4.334 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.090 -5.048 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.301 -6.072 -8.678 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.757 -5.414 -8.038 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.102 -5.219 -8.573 1.00 0.00 C ATOM 1098 C ASP A 73 -5.208 -3.797 -9.110 1.00 0.00 C ATOM 1099 O ASP A 73 -4.325 -2.978 -8.867 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.155 -5.430 -7.479 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.184 -6.900 -7.067 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.375 -7.280 -6.235 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.014 -7.625 -7.591 1.00 0.00 O ATOM 0 H ASP A 73 -3.685 -5.317 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.282 -5.943 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.926 -4.805 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.136 -5.125 -7.842 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.281 -3.499 -9.843 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.444 -2.152 -10.393 1.00 0.00 C ATOM 1110 C PHE A 74 -6.473 -1.110 -9.269 1.00 0.00 C ATOM 1111 O PHE A 74 -5.929 -0.013 -9.417 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.719 -2.042 -11.232 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.660 -0.785 -12.058 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.512 -0.501 -12.805 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.746 0.094 -12.075 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.452 0.668 -13.571 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.686 1.262 -12.841 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.540 1.550 -13.588 1.00 0.00 C ATOM 0 H PHE A 74 -7.032 -4.152 -10.066 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.589 -1.958 -11.040 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.819 -2.913 -11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.595 -2.025 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.674 -1.182 -12.790 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.631 -0.129 -11.497 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.567 0.890 -14.149 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.525 1.942 -12.856 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.494 2.453 -14.179 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.091 -1.471 -8.139 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.157 -0.565 -6.989 1.00 0.00 C ATOM 1130 C ASP A 75 -5.752 -0.331 -6.427 1.00 0.00 C ATOM 1131 O ASP A 75 -5.386 0.795 -6.090 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.050 -1.152 -5.889 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.582 -0.027 -5.003 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -7.898 0.327 -4.055 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.663 0.461 -5.285 1.00 0.00 O ATOM 0 H ASP A 75 -7.547 -2.372 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.581 0.382 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.880 -1.700 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.484 -1.864 -5.289 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.967 -1.413 -6.348 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.592 -1.329 -5.845 1.00 0.00 C ATOM 1142 C GLU A 76 -2.666 -0.702 -6.899 1.00 0.00 C ATOM 1143 O GLU A 76 -1.617 -0.148 -6.569 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.070 -2.726 -5.481 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.045 -3.407 -4.506 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.653 -4.875 -4.288 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.155 -5.492 -5.218 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.871 -5.365 -3.193 1.00 0.00 O ATOM 0 H GLU A 76 -5.259 -2.351 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.598 -0.700 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.961 -3.330 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.082 -2.649 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.043 -2.879 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.060 -3.350 -4.899 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.077 -0.796 -8.172 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.302 -0.243 -9.285 1.00 0.00 C ATOM 1157 C PHE A 77 -2.309 1.285 -9.233 1.00 0.00 C ATOM 1158 O PHE A 77 -1.256 1.925 -9.219 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.922 -0.697 -10.616 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.883 -0.850 -11.707 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.512 -0.996 -11.415 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.314 -0.863 -13.036 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.408 -1.150 -12.457 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.394 -1.020 -14.071 1.00 0.00 C ATOM 1165 CZ PHE A 77 -0.035 -1.162 -13.785 1.00 0.00 C ATOM 0 H PHE A 77 -3.945 -1.252 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.275 -0.601 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.436 -1.647 -10.470 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.673 0.027 -10.931 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.173 -0.989 -10.390 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.364 -0.751 -13.262 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.460 -1.260 -12.237 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.733 -1.032 -15.096 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.676 -1.281 -14.589 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.519 1.857 -9.198 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.681 3.313 -9.138 1.00 0.00 C ATOM 1177 C LEU A 78 -3.145 3.856 -7.810 1.00 0.00 C ATOM 1178 O LEU A 78 -2.610 4.966 -7.755 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.161 3.694 -9.290 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.667 3.833 -10.737 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.145 2.676 -11.594 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.199 3.815 -10.743 1.00 0.00 C ATOM 0 H LEU A 78 -4.396 1.336 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.114 3.753 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.765 2.941 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.329 4.639 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.304 4.774 -11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.510 2.786 -12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.055 2.687 -11.595 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.498 1.730 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.560 3.913 -11.767 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.553 2.874 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.575 4.645 -10.144 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.276 3.052 -6.746 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.783 3.449 -5.424 1.00 0.00 C ATOM 1196 C VAL A 79 -1.261 3.627 -5.470 1.00 0.00 C ATOM 1197 O VAL A 79 -0.731 4.643 -5.027 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.161 2.388 -4.373 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.140 2.380 -3.232 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.548 2.707 -3.807 1.00 0.00 C ATOM 0 H VAL A 79 -3.715 2.132 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.244 4.396 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.168 1.407 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.421 1.625 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.152 2.149 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.119 3.360 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.818 1.958 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.533 3.692 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.281 2.698 -4.614 1.00 0.00 H new ATOM 1210 N MET A 80 -0.573 2.621 -6.019 1.00 0.00 N ATOM 1211 CA MET A 80 0.891 2.656 -6.141 1.00 0.00 C ATOM 1212 C MET A 80 1.380 3.994 -6.715 1.00 0.00 C ATOM 1213 O MET A 80 2.471 4.460 -6.381 1.00 0.00 O ATOM 1214 CB MET A 80 1.374 1.523 -7.055 1.00 0.00 C ATOM 1215 CG MET A 80 2.526 0.772 -6.384 1.00 0.00 C ATOM 1216 SD MET A 80 4.106 1.414 -6.996 1.00 0.00 S ATOM 1217 CE MET A 80 4.001 0.733 -8.671 1.00 0.00 C ATOM 0 H MET A 80 -1.004 1.773 -6.386 1.00 0.00 H new ATOM 0 HA MET A 80 1.301 2.533 -5.139 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.553 0.837 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.701 1.930 -8.012 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.469 0.889 -5.302 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.449 -0.295 -6.594 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.968 0.318 -8.956 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.246 -0.053 -8.698 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.726 1.524 -9.369 1.00 0.00 H new ATOM 1227 N MET A 81 0.558 4.608 -7.579 1.00 0.00 N ATOM 1228 CA MET A 81 0.913 5.893 -8.190 1.00 0.00 C ATOM 1229 C MET A 81 1.017 6.986 -7.125 1.00 0.00 C ATOM 1230 O MET A 81 2.047 7.651 -7.001 1.00 0.00 O ATOM 1231 CB MET A 81 -0.144 6.301 -9.221 1.00 0.00 C ATOM 1232 CG MET A 81 0.403 7.411 -10.123 1.00 0.00 C ATOM 1233 SD MET A 81 -0.853 8.701 -10.324 1.00 0.00 S ATOM 1234 CE MET A 81 -2.133 7.668 -11.083 1.00 0.00 C ATOM 0 H MET A 81 -0.348 4.238 -7.867 1.00 0.00 H new ATOM 0 HA MET A 81 1.879 5.776 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.428 5.438 -9.824 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.045 6.645 -8.713 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.308 7.835 -9.688 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.678 7.002 -11.095 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.113 7.979 -10.722 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.094 7.778 -12.167 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.963 6.624 -10.818 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.062 7.158 -6.354 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.087 8.170 -5.289 1.00 0.00 C ATOM 1246 C VAL A 82 0.894 7.812 -4.170 1.00 0.00 C ATOM 1247 O VAL A 82 1.400 8.693 -3.476 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.492 8.320 -4.694 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.431 8.921 -5.740 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.027 6.956 -4.255 1.00 0.00 C ATOM 0 H VAL A 82 -0.922 6.617 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 82 0.210 9.116 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.439 8.979 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.429 9.027 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.060 9.900 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.475 8.265 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.025 7.075 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.073 6.289 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.364 6.530 -3.502 1.00 0.00 H new ATOM 1260 N ARG A 83 1.160 6.512 -4.004 1.00 0.00 N ATOM 1261 CA ARG A 83 2.093 6.048 -2.972 1.00 0.00 C ATOM 1262 C ARG A 83 3.489 6.631 -3.211 1.00 0.00 C ATOM 1263 O ARG A 83 4.220 6.927 -2.264 1.00 0.00 O ATOM 1264 CB ARG A 83 2.190 4.517 -2.978 1.00 0.00 C ATOM 1265 CG ARG A 83 0.900 3.913 -2.417 1.00 0.00 C ATOM 1266 CD ARG A 83 1.236 2.702 -1.543 1.00 0.00 C ATOM 1267 NE ARG A 83 1.663 3.127 -0.207 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.785 3.534 0.723 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.503 3.564 0.466 1.00 0.00 N ATOM 1270 NH2 ARG A 83 1.217 3.905 1.900 1.00 0.00 N ATOM 0 H ARG A 83 0.746 5.768 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 83 1.715 6.384 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.359 4.158 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.043 4.195 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.362 4.659 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.242 3.614 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.364 2.053 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.026 2.116 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 83 2.657 3.113 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.847 3.276 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.159 3.876 1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.216 3.884 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.555 4.215 2.612 1.00 0.00 H new