USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 474 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 52 ASN : amide:sc= -1.79! C(o=-2!,f=-3.5!) USER MOD Set 1.2: A 62 MET CE :methyl 149:sc= -0.24 (180deg=-0.774) USER MOD Single : A 7 THR OG1 : rot 29:sc= 0.78 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0.824 (180deg=0.72) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -1.7! USER MOD Single : A 60 MET CE :methyl -158:sc= -0.862 (180deg=-1.82) USER MOD Single : A 66 THR OG1 : rot 48:sc= -3.2! USER MOD Single : A 69 SER OG : rot 73:sc= 0.00984 USER MOD Single : A 70 MET CE :methyl 179:sc= -0.428 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.590 7.819 -6.707 1.00 0.00 N ATOM 110 CA THR A 7 -6.043 6.492 -6.352 1.00 0.00 C ATOM 111 C THR A 7 -6.414 6.199 -4.891 1.00 0.00 C ATOM 112 O THR A 7 -6.569 7.112 -4.105 1.00 0.00 O ATOM 113 CB THR A 7 -4.525 6.574 -6.523 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.229 7.432 -7.617 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.931 5.193 -6.793 1.00 0.00 C ATOM 0 HA THR A 7 -6.442 5.695 -6.980 1.00 0.00 H new ATOM 0 HB THR A 7 -4.090 6.964 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.941 8.099 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.851 5.278 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.154 4.531 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.364 4.783 -7.705 1.00 0.00 H new ATOM 123 N PRO A 8 -6.562 4.940 -4.571 1.00 0.00 N ATOM 124 CA PRO A 8 -6.933 4.514 -3.212 1.00 0.00 C ATOM 125 C PRO A 8 -5.722 4.602 -2.278 1.00 0.00 C ATOM 126 O PRO A 8 -4.628 4.887 -2.717 1.00 0.00 O ATOM 127 CB PRO A 8 -7.407 3.070 -3.407 1.00 0.00 C ATOM 128 CG PRO A 8 -6.777 2.575 -4.731 1.00 0.00 C ATOM 129 CD PRO A 8 -6.364 3.830 -5.521 1.00 0.00 C ATOM 0 HA PRO A 8 -7.700 5.137 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.096 2.443 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.495 3.022 -3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.913 1.940 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.490 1.977 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.327 3.769 -5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.976 3.957 -6.414 1.00 0.00 H new ATOM 137 N PRO A 9 -5.963 4.379 -1.012 1.00 0.00 N ATOM 138 CA PRO A 9 -4.911 4.453 0.020 1.00 0.00 C ATOM 139 C PRO A 9 -3.946 3.267 -0.070 1.00 0.00 C ATOM 140 O PRO A 9 -4.295 2.195 -0.526 1.00 0.00 O ATOM 141 CB PRO A 9 -5.696 4.439 1.336 1.00 0.00 C ATOM 142 CG PRO A 9 -7.071 3.812 1.015 1.00 0.00 C ATOM 143 CD PRO A 9 -7.300 4.019 -0.492 1.00 0.00 C ATOM 0 HA PRO A 9 -4.281 5.336 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.172 3.858 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.812 5.449 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.083 2.752 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.860 4.288 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.682 3.115 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.027 4.809 -0.680 1.00 0.00 H new ATOM 151 N ALA A 10 -2.730 3.467 0.360 1.00 0.00 N ATOM 152 CA ALA A 10 -1.714 2.377 0.309 1.00 0.00 C ATOM 153 C ALA A 10 -2.350 1.045 0.716 1.00 0.00 C ATOM 154 O ALA A 10 -2.397 0.110 -0.057 1.00 0.00 O ATOM 155 CB ALA A 10 -0.572 2.712 1.270 1.00 0.00 C ATOM 0 H ALA A 10 -2.394 4.348 0.748 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.330 2.289 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.175 1.919 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.113 3.655 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.963 2.801 2.283 1.00 0.00 H new ATOM 161 N ALA A 11 -2.832 0.947 1.923 1.00 0.00 N ATOM 162 CA ALA A 11 -3.453 -0.330 2.373 1.00 0.00 C ATOM 163 C ALA A 11 -4.365 -0.876 1.270 1.00 0.00 C ATOM 164 O ALA A 11 -4.257 -2.020 0.872 1.00 0.00 O ATOM 165 CB ALA A 11 -4.276 -0.080 3.639 1.00 0.00 C ATOM 0 H ALA A 11 -2.823 1.695 2.617 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.669 -1.057 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.730 -1.015 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.626 0.304 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.058 0.649 3.426 1.00 0.00 H new ATOM 171 N VAL A 12 -5.262 -0.069 0.773 1.00 0.00 N ATOM 172 CA VAL A 12 -6.177 -0.545 -0.304 1.00 0.00 C ATOM 173 C VAL A 12 -5.394 -0.702 -1.609 1.00 0.00 C ATOM 174 O VAL A 12 -5.251 -1.791 -2.129 1.00 0.00 O ATOM 175 CB VAL A 12 -7.298 0.476 -0.501 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.103 0.114 -1.750 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.220 0.464 0.721 1.00 0.00 C ATOM 0 H VAL A 12 -5.401 0.898 1.065 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.604 -1.507 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.867 1.470 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.902 0.841 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.447 0.122 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.534 -0.880 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.019 1.192 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.651 -0.530 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.647 0.721 1.612 1.00 0.00 H new ATOM 187 N LEU A 13 -4.885 0.376 -2.142 1.00 0.00 N ATOM 188 CA LEU A 13 -4.107 0.290 -3.413 1.00 0.00 C ATOM 189 C LEU A 13 -3.167 -0.912 -3.347 1.00 0.00 C ATOM 190 O LEU A 13 -3.021 -1.655 -4.297 1.00 0.00 O ATOM 191 CB LEU A 13 -3.302 1.586 -3.589 1.00 0.00 C ATOM 192 CG LEU A 13 -2.076 1.348 -4.475 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.529 0.955 -5.882 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.244 2.631 -4.546 1.00 0.00 C ATOM 0 H LEU A 13 -4.974 1.314 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.780 0.165 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.934 2.355 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.986 1.958 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.473 0.545 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.655 0.786 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.122 0.042 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.133 1.757 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.371 2.464 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.848 3.434 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.920 2.910 -3.544 1.00 0.00 H new ATOM 206 N LEU A 14 -2.536 -1.104 -2.233 1.00 0.00 N ATOM 207 CA LEU A 14 -1.607 -2.254 -2.091 1.00 0.00 C ATOM 208 C LEU A 14 -2.417 -3.547 -2.104 1.00 0.00 C ATOM 209 O LEU A 14 -2.233 -4.392 -2.954 1.00 0.00 O ATOM 210 CB LEU A 14 -0.835 -2.133 -0.778 1.00 0.00 C ATOM 211 CG LEU A 14 0.238 -1.055 -0.930 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.258 -0.173 0.317 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.606 -1.715 -1.112 1.00 0.00 C ATOM 0 H LEU A 14 -2.622 -0.512 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.895 -2.261 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.514 -1.877 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.376 -3.088 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 14 0.013 -0.442 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.024 0.595 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.716 0.300 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.480 -0.784 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.370 -0.945 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.832 -2.330 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.592 -2.341 -2.005 1.00 0.00 H new ATOM 225 N LYS A 15 -3.325 -3.703 -1.181 1.00 0.00 N ATOM 226 CA LYS A 15 -4.152 -4.941 -1.163 1.00 0.00 C ATOM 227 C LYS A 15 -4.796 -5.111 -2.538 1.00 0.00 C ATOM 228 O LYS A 15 -5.048 -6.208 -2.994 1.00 0.00 O ATOM 229 CB LYS A 15 -5.243 -4.811 -0.098 1.00 0.00 C ATOM 230 CG LYS A 15 -5.350 -6.120 0.684 1.00 0.00 C ATOM 231 CD LYS A 15 -6.582 -6.894 0.217 1.00 0.00 C ATOM 232 CE LYS A 15 -7.658 -6.845 1.302 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.738 -7.820 0.977 1.00 0.00 N ATOM 0 H LYS A 15 -3.529 -3.030 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.530 -5.806 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.010 -3.989 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.198 -4.576 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.452 -6.720 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.421 -5.913 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.965 -6.465 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.314 -7.929 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.221 -7.080 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.071 -5.839 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.470 -7.786 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.161 -7.576 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.338 -8.779 0.930 1.00 0.00 H new ATOM 247 N LYS A 16 -5.058 -4.030 -3.207 1.00 0.00 N ATOM 248 CA LYS A 16 -5.666 -4.126 -4.556 1.00 0.00 C ATOM 249 C LYS A 16 -4.608 -4.581 -5.556 1.00 0.00 C ATOM 250 O LYS A 16 -4.612 -5.700 -6.030 1.00 0.00 O ATOM 251 CB LYS A 16 -6.209 -2.757 -4.972 1.00 0.00 C ATOM 252 CG LYS A 16 -7.735 -2.762 -4.877 1.00 0.00 C ATOM 253 CD LYS A 16 -8.332 -2.909 -6.277 1.00 0.00 C ATOM 254 CE LYS A 16 -9.440 -1.872 -6.472 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.606 -1.594 -7.925 1.00 0.00 N ATOM 0 H LYS A 16 -4.877 -3.082 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.483 -4.847 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.797 -1.980 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.898 -2.525 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.068 -3.582 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.084 -1.838 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.556 -2.774 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.733 -3.914 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.376 -2.240 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.191 -0.953 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.359 -0.889 -8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.714 -1.226 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.862 -2.472 -8.420 1.00 0.00 H new ATOM 269 N ALA A 17 -3.716 -3.700 -5.884 1.00 0.00 N ATOM 270 CA ALA A 17 -2.643 -4.028 -6.867 1.00 0.00 C ATOM 271 C ALA A 17 -1.694 -5.105 -6.319 1.00 0.00 C ATOM 272 O ALA A 17 -1.600 -6.192 -6.853 1.00 0.00 O ATOM 273 CB ALA A 17 -1.841 -2.763 -7.173 1.00 0.00 C ATOM 0 H ALA A 17 -3.679 -2.751 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.113 -4.413 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.055 -2.996 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.503 -2.005 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.393 -2.385 -6.254 1.00 0.00 H new ATOM 279 N ALA A 18 -0.966 -4.798 -5.278 1.00 0.00 N ATOM 280 CA ALA A 18 0.006 -5.786 -4.718 1.00 0.00 C ATOM 281 C ALA A 18 -0.717 -6.868 -3.912 1.00 0.00 C ATOM 282 O ALA A 18 -0.134 -7.870 -3.551 1.00 0.00 O ATOM 283 CB ALA A 18 0.997 -5.059 -3.807 1.00 0.00 C ATOM 0 H ALA A 18 -1.002 -3.903 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 18 0.532 -6.262 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.708 -5.776 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.534 -4.305 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.456 -4.577 -2.992 1.00 0.00 H new ATOM 289 N GLY A 19 -1.973 -6.684 -3.625 1.00 0.00 N ATOM 290 CA GLY A 19 -2.704 -7.717 -2.841 1.00 0.00 C ATOM 291 C GLY A 19 -3.307 -8.746 -3.797 1.00 0.00 C ATOM 292 O GLY A 19 -4.225 -9.461 -3.448 1.00 0.00 O ATOM 0 H GLY A 19 -2.523 -5.869 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.026 -8.207 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.490 -7.250 -2.248 1.00 0.00 H new ATOM 447 N LYS A 31 -0.536 -13.281 5.888 1.00 0.00 N ATOM 448 CA LYS A 31 0.229 -12.789 4.691 1.00 0.00 C ATOM 449 C LYS A 31 -0.253 -13.462 3.400 1.00 0.00 C ATOM 450 O LYS A 31 0.096 -14.588 3.109 1.00 0.00 O ATOM 451 CB LYS A 31 1.715 -13.097 4.893 1.00 0.00 C ATOM 452 CG LYS A 31 2.202 -12.425 6.178 1.00 0.00 C ATOM 453 CD LYS A 31 3.198 -13.343 6.892 1.00 0.00 C ATOM 454 CE LYS A 31 2.927 -13.322 8.397 1.00 0.00 C ATOM 455 NZ LYS A 31 4.195 -13.031 9.125 1.00 0.00 N ATOM 0 HA LYS A 31 0.065 -11.716 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.870 -14.174 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.292 -12.738 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.674 -11.471 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.356 -12.211 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.109 -14.360 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.218 -13.016 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.178 -12.566 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.523 -14.282 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.012 -13.016 10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.896 -13.768 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.562 -12.105 8.826 1.00 0.00 H new ATOM 469 N VAL A 32 -1.046 -12.781 2.616 1.00 0.00 N ATOM 470 CA VAL A 32 -1.538 -13.397 1.350 1.00 0.00 C ATOM 471 C VAL A 32 -0.826 -12.769 0.155 1.00 0.00 C ATOM 472 O VAL A 32 -0.936 -13.237 -0.962 1.00 0.00 O ATOM 473 CB VAL A 32 -3.044 -13.175 1.220 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.781 -14.081 2.207 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.371 -11.712 1.528 1.00 0.00 C ATOM 0 H VAL A 32 -1.372 -11.831 2.796 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.329 -14.467 1.371 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.360 -13.413 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.855 -13.922 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.548 -15.123 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.466 -13.844 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.445 -11.552 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.055 -11.475 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.846 -11.066 0.824 1.00 0.00 H new ATOM 485 N ALA A 33 -0.095 -11.722 0.379 1.00 0.00 N ATOM 486 CA ALA A 33 0.631 -11.068 -0.744 1.00 0.00 C ATOM 487 C ALA A 33 2.022 -10.641 -0.273 1.00 0.00 C ATOM 488 O ALA A 33 2.201 -10.203 0.845 1.00 0.00 O ATOM 489 CB ALA A 33 -0.151 -9.838 -1.211 1.00 0.00 C ATOM 0 H ALA A 33 0.034 -11.286 1.292 1.00 0.00 H new ATOM 0 HA ALA A 33 0.728 -11.771 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.381 -9.359 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.142 -10.143 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.250 -9.134 -0.384 1.00 0.00 H new ATOM 495 N THR A 34 3.008 -10.763 -1.116 1.00 0.00 N ATOM 496 CA THR A 34 4.383 -10.361 -0.712 1.00 0.00 C ATOM 497 C THR A 34 5.046 -9.606 -1.864 1.00 0.00 C ATOM 498 O THR A 34 5.088 -10.074 -2.984 1.00 0.00 O ATOM 499 CB THR A 34 5.207 -11.607 -0.375 1.00 0.00 C ATOM 500 OG1 THR A 34 4.406 -12.765 -0.559 1.00 0.00 O ATOM 501 CG2 THR A 34 5.673 -11.535 1.079 1.00 0.00 C ATOM 0 H THR A 34 2.921 -11.123 -2.066 1.00 0.00 H new ATOM 0 HA THR A 34 4.331 -9.718 0.166 1.00 0.00 H new ATOM 0 HB THR A 34 6.076 -11.656 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.932 -13.564 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.259 -12.422 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.287 -10.646 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.805 -11.486 1.737 1.00 0.00 H new ATOM 509 N ILE A 35 5.565 -8.440 -1.597 1.00 0.00 N ATOM 510 CA ILE A 35 6.223 -7.652 -2.676 1.00 0.00 C ATOM 511 C ILE A 35 7.468 -6.972 -2.114 1.00 0.00 C ATOM 512 O ILE A 35 7.590 -6.770 -0.922 1.00 0.00 O ATOM 513 CB ILE A 35 5.261 -6.579 -3.188 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.443 -6.033 -2.014 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.317 -7.184 -4.228 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.965 -4.618 -2.338 1.00 0.00 C ATOM 0 H ILE A 35 5.562 -7.998 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 35 6.498 -8.319 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 35 5.831 -5.771 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.588 -6.681 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.049 -6.025 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.634 -6.416 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.898 -7.575 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.745 -7.993 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.383 -4.230 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.827 -3.973 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.344 -4.640 -3.233 1.00 0.00 H new ATOM 528 N LYS A 36 8.391 -6.608 -2.957 1.00 0.00 N ATOM 529 CA LYS A 36 9.615 -5.929 -2.457 1.00 0.00 C ATOM 530 C LYS A 36 9.328 -4.435 -2.323 1.00 0.00 C ATOM 531 O LYS A 36 8.192 -4.007 -2.354 1.00 0.00 O ATOM 532 CB LYS A 36 10.764 -6.144 -3.444 1.00 0.00 C ATOM 533 CG LYS A 36 11.833 -7.031 -2.802 1.00 0.00 C ATOM 534 CD LYS A 36 13.061 -7.090 -3.713 1.00 0.00 C ATOM 535 CE LYS A 36 13.829 -8.386 -3.453 1.00 0.00 C ATOM 536 NZ LYS A 36 14.656 -8.236 -2.225 1.00 0.00 N ATOM 0 H LYS A 36 8.351 -6.751 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 36 9.897 -6.342 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.391 -6.609 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.196 -5.185 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.110 -6.635 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.439 -8.034 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.754 -7.040 -4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.705 -6.230 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.133 -9.216 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.465 -8.621 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.178 -9.118 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.330 -7.454 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.039 -8.031 -1.414 1.00 0.00 H new ATOM 550 N ARG A 37 10.345 -3.632 -2.182 1.00 0.00 N ATOM 551 CA ARG A 37 10.113 -2.167 -2.057 1.00 0.00 C ATOM 552 C ARG A 37 9.707 -1.610 -3.418 1.00 0.00 C ATOM 553 O ARG A 37 9.170 -0.527 -3.525 1.00 0.00 O ATOM 554 CB ARG A 37 11.396 -1.483 -1.584 1.00 0.00 C ATOM 555 CG ARG A 37 11.079 -0.053 -1.148 1.00 0.00 C ATOM 556 CD ARG A 37 11.621 0.928 -2.189 1.00 0.00 C ATOM 557 NE ARG A 37 13.039 1.253 -1.870 1.00 0.00 N ATOM 558 CZ ARG A 37 13.900 1.434 -2.834 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.231 0.437 -3.609 1.00 0.00 N ATOM 560 NH2 ARG A 37 14.429 2.612 -3.023 1.00 0.00 N ATOM 0 H ARG A 37 11.322 -3.925 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 37 9.321 -1.980 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.833 -2.039 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.134 -1.475 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.002 0.075 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.525 0.149 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.551 0.493 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.020 1.838 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 37 13.337 1.334 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.817 -0.483 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.904 0.578 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.170 3.391 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.102 2.754 -3.776 1.00 0.00 H new ATOM 574 N ASP A 38 9.964 -2.348 -4.457 1.00 0.00 N ATOM 575 CA ASP A 38 9.602 -1.882 -5.826 1.00 0.00 C ATOM 576 C ASP A 38 8.095 -1.614 -5.902 1.00 0.00 C ATOM 577 O ASP A 38 7.650 -0.719 -6.595 1.00 0.00 O ATOM 578 CB ASP A 38 9.982 -2.959 -6.843 1.00 0.00 C ATOM 579 CG ASP A 38 11.342 -2.624 -7.460 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.496 -1.510 -7.937 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.205 -3.485 -7.444 1.00 0.00 O ATOM 0 H ASP A 38 10.413 -3.263 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 38 10.140 -0.961 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.022 -3.934 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.223 -3.022 -7.623 1.00 0.00 H new ATOM 586 N LYS A 39 7.308 -2.383 -5.199 1.00 0.00 N ATOM 587 CA LYS A 39 5.833 -2.173 -5.236 1.00 0.00 C ATOM 588 C LYS A 39 5.450 -1.056 -4.275 1.00 0.00 C ATOM 589 O LYS A 39 4.812 -0.091 -4.647 1.00 0.00 O ATOM 590 CB LYS A 39 5.144 -3.447 -4.784 1.00 0.00 C ATOM 591 CG LYS A 39 4.674 -4.243 -6.003 1.00 0.00 C ATOM 592 CD LYS A 39 3.647 -3.421 -6.785 1.00 0.00 C ATOM 593 CE LYS A 39 2.634 -4.360 -7.438 1.00 0.00 C ATOM 594 NZ LYS A 39 1.957 -3.656 -8.561 1.00 0.00 N ATOM 0 H LYS A 39 7.623 -3.147 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 39 5.531 -1.911 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.829 -4.049 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.294 -3.205 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.523 -4.486 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.233 -5.188 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.137 -2.726 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.148 -2.823 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.136 -5.255 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.898 -4.686 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.267 -4.295 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.465 -2.815 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.665 -3.366 -9.266 1.00 0.00 H new ATOM 608 N VAL A 40 5.845 -1.173 -3.039 1.00 0.00 N ATOM 609 CA VAL A 40 5.509 -0.110 -2.061 1.00 0.00 C ATOM 610 C VAL A 40 6.222 1.160 -2.503 1.00 0.00 C ATOM 611 O VAL A 40 5.902 2.252 -2.080 1.00 0.00 O ATOM 612 CB VAL A 40 5.990 -0.525 -0.667 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.049 0.701 0.248 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.018 -1.550 -0.082 1.00 0.00 C ATOM 0 H VAL A 40 6.383 -1.956 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 40 4.432 0.054 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 40 6.985 -0.963 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.392 0.400 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.741 1.433 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.056 1.144 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.357 -1.848 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.024 -1.108 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.979 -2.426 -0.730 1.00 0.00 H new ATOM 624 N ARG A 41 7.177 1.020 -3.382 1.00 0.00 N ATOM 625 CA ARG A 41 7.897 2.219 -3.889 1.00 0.00 C ATOM 626 C ARG A 41 6.967 2.963 -4.847 1.00 0.00 C ATOM 627 O ARG A 41 6.594 4.096 -4.619 1.00 0.00 O ATOM 628 CB ARG A 41 9.167 1.793 -4.628 1.00 0.00 C ATOM 629 CG ARG A 41 9.771 3.003 -5.343 1.00 0.00 C ATOM 630 CD ARG A 41 11.296 2.888 -5.336 1.00 0.00 C ATOM 631 NE ARG A 41 11.890 4.133 -5.898 1.00 0.00 N ATOM 632 CZ ARG A 41 12.273 4.166 -7.144 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.032 3.215 -7.618 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.897 5.147 -7.918 1.00 0.00 N ATOM 0 H ARG A 41 7.488 0.129 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 41 8.180 2.865 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.887 1.376 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.935 1.009 -5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.404 3.054 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.462 3.924 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.655 2.728 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.609 2.025 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 41 11.997 4.959 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.325 2.447 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.332 3.240 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.303 5.889 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.197 5.172 -8.892 1.00 0.00 H new ATOM 648 N GLU A 42 6.577 2.316 -5.912 1.00 0.00 N ATOM 649 CA GLU A 42 5.653 2.959 -6.886 1.00 0.00 C ATOM 650 C GLU A 42 4.334 3.269 -6.179 1.00 0.00 C ATOM 651 O GLU A 42 3.819 4.368 -6.244 1.00 0.00 O ATOM 652 CB GLU A 42 5.399 2.003 -8.054 1.00 0.00 C ATOM 653 CG GLU A 42 6.626 1.978 -8.968 1.00 0.00 C ATOM 654 CD GLU A 42 6.479 0.857 -9.998 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.487 0.149 -9.935 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.359 0.726 -10.832 1.00 0.00 O ATOM 0 H GLU A 42 6.861 1.365 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 42 6.093 3.880 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.191 1.001 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.521 2.322 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.734 2.938 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.529 1.826 -8.377 1.00 0.00 H new ATOM 663 N ILE A 43 3.790 2.297 -5.499 1.00 0.00 N ATOM 664 CA ILE A 43 2.509 2.511 -4.773 1.00 0.00 C ATOM 665 C ILE A 43 2.557 3.867 -4.059 1.00 0.00 C ATOM 666 O ILE A 43 1.690 4.701 -4.235 1.00 0.00 O ATOM 667 CB ILE A 43 2.323 1.366 -3.765 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.568 0.219 -4.443 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.522 1.842 -2.546 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.418 -1.052 -4.401 1.00 0.00 C ATOM 0 H ILE A 43 4.181 1.359 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 43 1.667 2.516 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 43 3.305 1.030 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.617 0.049 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.339 0.481 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.402 1.016 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.054 2.658 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.541 2.190 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.878 -1.867 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.358 -0.879 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.624 -1.318 -3.364 1.00 0.00 H new ATOM 682 N ALA A 44 3.562 4.098 -3.257 1.00 0.00 N ATOM 683 CA ALA A 44 3.650 5.403 -2.548 1.00 0.00 C ATOM 684 C ALA A 44 3.686 6.527 -3.585 1.00 0.00 C ATOM 685 O ALA A 44 3.064 7.557 -3.418 1.00 0.00 O ATOM 686 CB ALA A 44 4.926 5.444 -1.705 1.00 0.00 C ATOM 0 H ALA A 44 4.320 3.443 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 44 2.786 5.528 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.989 6.401 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.905 4.636 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.794 5.325 -2.353 1.00 0.00 H new ATOM 692 N GLU A 45 4.400 6.332 -4.661 1.00 0.00 N ATOM 693 CA GLU A 45 4.464 7.384 -5.714 1.00 0.00 C ATOM 694 C GLU A 45 3.058 7.641 -6.250 1.00 0.00 C ATOM 695 O GLU A 45 2.639 8.769 -6.418 1.00 0.00 O ATOM 696 CB GLU A 45 5.369 6.915 -6.854 1.00 0.00 C ATOM 697 CG GLU A 45 6.753 7.548 -6.701 1.00 0.00 C ATOM 698 CD GLU A 45 7.625 7.170 -7.901 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.108 7.163 -9.005 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.796 6.896 -7.695 1.00 0.00 O ATOM 0 H GLU A 45 4.941 5.490 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 45 4.869 8.303 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.451 5.828 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.935 7.192 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.663 8.632 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.220 7.207 -5.777 1.00 0.00 H new ATOM 707 N LEU A 46 2.329 6.599 -6.512 1.00 0.00 N ATOM 708 CA LEU A 46 0.942 6.762 -7.032 1.00 0.00 C ATOM 709 C LEU A 46 0.081 7.429 -5.961 1.00 0.00 C ATOM 710 O LEU A 46 -0.473 8.488 -6.166 1.00 0.00 O ATOM 711 CB LEU A 46 0.358 5.391 -7.377 1.00 0.00 C ATOM 712 CG LEU A 46 0.253 5.243 -8.894 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.787 6.227 -9.432 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.613 5.542 -9.528 1.00 0.00 C ATOM 0 H LEU A 46 2.633 5.633 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 46 0.958 7.381 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.990 4.603 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.626 5.279 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.049 4.225 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.862 6.122 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.756 6.016 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.485 7.245 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.541 5.437 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.913 6.560 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.355 4.842 -9.144 1.00 0.00 H new ATOM 726 N LYS A 47 -0.031 6.813 -4.815 1.00 0.00 N ATOM 727 CA LYS A 47 -0.846 7.400 -3.712 1.00 0.00 C ATOM 728 C LYS A 47 -0.055 8.510 -3.000 1.00 0.00 C ATOM 729 O LYS A 47 -0.409 8.934 -1.921 1.00 0.00 O ATOM 730 CB LYS A 47 -1.188 6.302 -2.705 1.00 0.00 C ATOM 731 CG LYS A 47 -2.647 6.436 -2.267 1.00 0.00 C ATOM 732 CD LYS A 47 -2.829 7.723 -1.461 1.00 0.00 C ATOM 733 CE LYS A 47 -4.302 7.880 -1.076 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.402 8.308 0.349 1.00 0.00 N ATOM 0 H LYS A 47 0.411 5.921 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.759 7.825 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.022 5.322 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.531 6.373 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.299 6.448 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.936 5.575 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.209 7.694 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.502 8.581 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.781 8.616 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.829 6.937 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.368 8.641 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.182 7.503 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.727 9.078 0.528 1.00 0.00 H new ATOM 748 N MET A 48 1.022 8.970 -3.583 1.00 0.00 N ATOM 749 CA MET A 48 1.848 10.027 -2.929 1.00 0.00 C ATOM 750 C MET A 48 1.125 11.391 -2.862 1.00 0.00 C ATOM 751 O MET A 48 1.317 12.117 -1.907 1.00 0.00 O ATOM 752 CB MET A 48 3.153 10.196 -3.708 1.00 0.00 C ATOM 753 CG MET A 48 4.342 9.948 -2.776 1.00 0.00 C ATOM 754 SD MET A 48 5.506 11.329 -2.901 1.00 0.00 S ATOM 755 CE MET A 48 5.345 11.918 -1.196 1.00 0.00 C ATOM 0 H MET A 48 1.366 8.656 -4.490 1.00 0.00 H new ATOM 0 HA MET A 48 2.038 9.704 -1.905 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.182 9.498 -4.545 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.210 11.200 -4.128 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.996 9.842 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.838 9.015 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.990 12.784 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.310 12.200 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.638 11.125 -0.508 1.00 0.00 H new ATOM 765 N PRO A 49 0.327 11.724 -3.856 1.00 0.00 N ATOM 766 CA PRO A 49 -0.390 13.014 -3.873 1.00 0.00 C ATOM 767 C PRO A 49 -1.604 12.979 -2.935 1.00 0.00 C ATOM 768 O PRO A 49 -2.432 13.868 -2.945 1.00 0.00 O ATOM 769 CB PRO A 49 -0.821 13.174 -5.332 1.00 0.00 C ATOM 770 CG PRO A 49 -0.833 11.753 -5.939 1.00 0.00 C ATOM 771 CD PRO A 49 0.056 10.877 -5.035 1.00 0.00 C ATOM 0 HA PRO A 49 0.225 13.844 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.807 13.633 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.131 13.822 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.848 11.359 -5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.453 11.765 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.451 9.954 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.979 10.592 -5.541 1.00 0.00 H new ATOM 779 N ASP A 50 -1.714 11.964 -2.121 1.00 0.00 N ATOM 780 CA ASP A 50 -2.866 11.883 -1.183 1.00 0.00 C ATOM 781 C ASP A 50 -2.468 11.045 0.035 1.00 0.00 C ATOM 782 O ASP A 50 -3.304 10.503 0.729 1.00 0.00 O ATOM 783 CB ASP A 50 -4.056 11.228 -1.890 1.00 0.00 C ATOM 784 CG ASP A 50 -5.169 12.259 -2.077 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.888 13.438 -1.936 1.00 0.00 O ATOM 786 OD2 ASP A 50 -6.286 11.854 -2.357 1.00 0.00 O ATOM 0 H ASP A 50 -1.055 11.188 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.146 12.886 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.745 10.833 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.422 10.385 -1.304 1.00 0.00 H new ATOM 791 N LEU A 51 -1.192 10.934 0.297 1.00 0.00 N ATOM 792 CA LEU A 51 -0.742 10.129 1.468 1.00 0.00 C ATOM 793 C LEU A 51 -0.293 11.066 2.596 1.00 0.00 C ATOM 794 O LEU A 51 -0.211 12.267 2.425 1.00 0.00 O ATOM 795 CB LEU A 51 0.411 9.196 1.034 1.00 0.00 C ATOM 796 CG LEU A 51 1.778 9.762 1.443 1.00 0.00 C ATOM 797 CD1 LEU A 51 2.879 8.828 0.941 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.969 11.148 0.824 1.00 0.00 C ATOM 0 H LEU A 51 -0.445 11.365 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.565 9.518 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.274 8.213 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.382 9.058 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 51 1.827 9.842 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.852 9.225 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.746 7.840 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.825 8.752 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.940 11.546 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.921 11.071 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.182 11.815 1.176 1.00 0.00 H new ATOM 810 N ASN A 52 0.001 10.522 3.744 1.00 0.00 N ATOM 811 CA ASN A 52 0.446 11.373 4.882 1.00 0.00 C ATOM 812 C ASN A 52 1.871 10.976 5.279 1.00 0.00 C ATOM 813 O ASN A 52 2.136 10.618 6.409 1.00 0.00 O ATOM 814 CB ASN A 52 -0.494 11.164 6.072 1.00 0.00 C ATOM 815 CG ASN A 52 -0.323 9.746 6.619 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.315 9.547 7.633 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.874 8.745 5.988 1.00 0.00 N ATOM 0 H ASN A 52 -0.048 9.523 3.943 1.00 0.00 H new ATOM 0 HA ASN A 52 0.427 12.422 4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.277 11.894 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.527 11.324 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.769 7.796 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.410 8.912 5.136 1.00 0.00 H new ATOM 824 N ALA A 53 2.789 11.036 4.354 1.00 0.00 N ATOM 825 CA ALA A 53 4.196 10.659 4.671 1.00 0.00 C ATOM 826 C ALA A 53 5.043 11.921 4.835 1.00 0.00 C ATOM 827 O ALA A 53 4.553 13.029 4.745 1.00 0.00 O ATOM 828 CB ALA A 53 4.764 9.814 3.531 1.00 0.00 C ATOM 0 H ALA A 53 2.626 11.330 3.391 1.00 0.00 H new ATOM 0 HA ALA A 53 4.216 10.086 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.793 9.537 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.164 8.912 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.741 10.389 2.605 1.00 0.00 H new ATOM 834 N ALA A 54 6.316 11.760 5.071 1.00 0.00 N ATOM 835 CA ALA A 54 7.198 12.946 5.236 1.00 0.00 C ATOM 836 C ALA A 54 8.295 12.916 4.169 1.00 0.00 C ATOM 837 O ALA A 54 9.042 13.860 4.005 1.00 0.00 O ATOM 838 CB ALA A 54 7.836 12.918 6.626 1.00 0.00 C ATOM 0 H ALA A 54 6.782 10.857 5.156 1.00 0.00 H new ATOM 0 HA ALA A 54 6.609 13.856 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.483 13.787 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.054 12.938 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.426 12.008 6.737 1.00 0.00 H new ATOM 844 N SER A 55 8.396 11.838 3.439 1.00 0.00 N ATOM 845 CA SER A 55 9.440 11.744 2.382 1.00 0.00 C ATOM 846 C SER A 55 9.286 10.416 1.642 1.00 0.00 C ATOM 847 O SER A 55 8.679 9.486 2.136 1.00 0.00 O ATOM 848 CB SER A 55 10.827 11.812 3.024 1.00 0.00 C ATOM 849 OG SER A 55 10.689 11.853 4.438 1.00 0.00 O ATOM 0 H SER A 55 7.798 11.017 3.531 1.00 0.00 H new ATOM 0 HA SER A 55 9.327 12.571 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.419 10.945 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.360 12.696 2.673 1.00 0.00 H new ATOM 0 HG SER A 55 11.576 11.895 4.852 1.00 0.00 H new ATOM 855 N ILE A 56 9.830 10.316 0.461 1.00 0.00 N ATOM 856 CA ILE A 56 9.713 9.045 -0.306 1.00 0.00 C ATOM 857 C ILE A 56 9.978 7.863 0.627 1.00 0.00 C ATOM 858 O ILE A 56 9.076 7.138 0.998 1.00 0.00 O ATOM 859 CB ILE A 56 10.734 9.039 -1.444 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.299 10.032 -2.524 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.816 7.635 -2.046 1.00 0.00 C ATOM 862 CD1 ILE A 56 8.961 9.589 -3.117 1.00 0.00 C ATOM 0 H ILE A 56 10.350 11.059 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 56 8.709 8.961 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 56 11.712 9.327 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.207 11.031 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.055 10.088 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.544 7.629 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.124 6.927 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.838 7.347 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.652 10.297 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.069 8.598 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.207 9.556 -2.330 1.00 0.00 H new ATOM 874 N GLU A 57 11.207 7.662 1.012 1.00 0.00 N ATOM 875 CA GLU A 57 11.524 6.527 1.924 1.00 0.00 C ATOM 876 C GLU A 57 10.599 6.585 3.142 1.00 0.00 C ATOM 877 O GLU A 57 10.260 5.576 3.725 1.00 0.00 O ATOM 878 CB GLU A 57 12.980 6.636 2.383 1.00 0.00 C ATOM 879 CG GLU A 57 13.880 5.858 1.420 1.00 0.00 C ATOM 880 CD GLU A 57 15.336 6.286 1.622 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.553 7.437 1.963 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.208 5.453 1.434 1.00 0.00 O ATOM 0 H GLU A 57 12.005 8.234 0.735 1.00 0.00 H new ATOM 0 HA GLU A 57 11.378 5.583 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.284 7.682 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.084 6.241 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.777 4.787 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.575 6.044 0.390 1.00 0.00 H new ATOM 889 N ALA A 58 10.190 7.763 3.530 1.00 0.00 N ATOM 890 CA ALA A 58 9.287 7.889 4.708 1.00 0.00 C ATOM 891 C ALA A 58 7.909 7.315 4.371 1.00 0.00 C ATOM 892 O ALA A 58 7.309 6.616 5.163 1.00 0.00 O ATOM 893 CB ALA A 58 9.147 9.366 5.087 1.00 0.00 C ATOM 0 H ALA A 58 10.443 8.643 3.081 1.00 0.00 H new ATOM 0 HA ALA A 58 9.710 7.335 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.486 9.459 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.127 9.772 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.727 9.919 4.247 1.00 0.00 H new ATOM 899 N ALA A 59 7.397 7.607 3.205 1.00 0.00 N ATOM 900 CA ALA A 59 6.052 7.077 2.832 1.00 0.00 C ATOM 901 C ALA A 59 6.079 5.552 2.872 1.00 0.00 C ATOM 902 O ALA A 59 5.225 4.920 3.455 1.00 0.00 O ATOM 903 CB ALA A 59 5.679 7.547 1.423 1.00 0.00 C ATOM 0 H ALA A 59 7.849 8.187 2.498 1.00 0.00 H new ATOM 0 HA ALA A 59 5.310 7.448 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.697 7.157 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.656 8.636 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.419 7.183 0.710 1.00 0.00 H new ATOM 909 N MET A 60 7.056 4.959 2.256 1.00 0.00 N ATOM 910 CA MET A 60 7.149 3.474 2.257 1.00 0.00 C ATOM 911 C MET A 60 7.254 2.983 3.701 1.00 0.00 C ATOM 912 O MET A 60 6.641 2.003 4.078 1.00 0.00 O ATOM 913 CB MET A 60 8.384 3.031 1.467 1.00 0.00 C ATOM 914 CG MET A 60 9.643 3.662 2.070 1.00 0.00 C ATOM 915 SD MET A 60 11.108 2.954 1.277 1.00 0.00 S ATOM 916 CE MET A 60 11.054 1.344 2.102 1.00 0.00 C ATOM 0 H MET A 60 7.799 5.439 1.748 1.00 0.00 H new ATOM 0 HA MET A 60 6.261 3.050 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.467 1.944 1.485 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.283 3.326 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.625 4.743 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.675 3.482 3.145 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.044 0.889 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.742 1.476 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.344 0.696 1.589 1.00 0.00 H new ATOM 926 N ARG A 61 8.010 3.664 4.519 1.00 0.00 N ATOM 927 CA ARG A 61 8.129 3.237 5.940 1.00 0.00 C ATOM 928 C ARG A 61 6.722 3.121 6.519 1.00 0.00 C ATOM 929 O ARG A 61 6.333 2.093 7.034 1.00 0.00 O ATOM 930 CB ARG A 61 8.933 4.274 6.726 1.00 0.00 C ATOM 931 CG ARG A 61 9.622 3.594 7.911 1.00 0.00 C ATOM 932 CD ARG A 61 10.945 4.301 8.207 1.00 0.00 C ATOM 933 NE ARG A 61 11.693 3.542 9.248 1.00 0.00 N ATOM 934 CZ ARG A 61 12.110 4.148 10.326 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.249 4.567 11.213 1.00 0.00 N ATOM 936 NH2 ARG A 61 13.387 4.339 10.516 1.00 0.00 N ATOM 0 H ARG A 61 8.547 4.493 4.265 1.00 0.00 H new ATOM 0 HA ARG A 61 8.643 2.278 6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.676 4.741 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.275 5.067 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.976 3.627 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.802 2.543 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.541 4.375 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.757 5.319 8.549 1.00 0.00 H new ATOM 0 HE ARG A 61 11.879 2.548 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.251 4.421 11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.574 5.041 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.060 4.015 9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.712 4.813 11.359 1.00 0.00 H new ATOM 950 N MET A 62 5.942 4.164 6.411 1.00 0.00 N ATOM 951 CA MET A 62 4.550 4.104 6.926 1.00 0.00 C ATOM 952 C MET A 62 3.759 3.149 6.035 1.00 0.00 C ATOM 953 O MET A 62 3.177 2.188 6.497 1.00 0.00 O ATOM 954 CB MET A 62 3.920 5.499 6.868 1.00 0.00 C ATOM 955 CG MET A 62 2.769 5.584 7.872 1.00 0.00 C ATOM 956 SD MET A 62 3.142 6.849 9.110 1.00 0.00 S ATOM 957 CE MET A 62 3.080 8.279 8.003 1.00 0.00 C ATOM 0 H MET A 62 6.212 5.052 5.988 1.00 0.00 H new ATOM 0 HA MET A 62 4.542 3.756 7.959 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.670 6.257 7.094 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.554 5.702 5.862 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.840 5.827 7.357 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.622 4.618 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.738 9.153 8.557 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.075 8.471 7.601 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.390 8.075 7.184 1.00 0.00 H new ATOM 967 N ILE A 63 3.754 3.399 4.753 1.00 0.00 N ATOM 968 CA ILE A 63 3.025 2.503 3.815 1.00 0.00 C ATOM 969 C ILE A 63 3.346 1.047 4.172 1.00 0.00 C ATOM 970 O ILE A 63 2.525 0.165 4.017 1.00 0.00 O ATOM 971 CB ILE A 63 3.457 2.822 2.367 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.520 3.886 1.788 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.380 1.569 1.488 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.876 5.256 2.362 1.00 0.00 C ATOM 0 H ILE A 63 4.226 4.190 4.315 1.00 0.00 H new ATOM 0 HA ILE A 63 1.949 2.658 3.897 1.00 0.00 H new ATOM 0 HB ILE A 63 4.486 3.182 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.603 3.904 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.485 3.640 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.689 1.817 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.041 0.801 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.356 1.196 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.207 6.009 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.770 5.235 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.905 5.503 2.103 1.00 0.00 H new ATOM 986 N GLU A 64 4.530 0.790 4.662 1.00 0.00 N ATOM 987 CA GLU A 64 4.888 -0.606 5.036 1.00 0.00 C ATOM 988 C GLU A 64 3.953 -1.077 6.149 1.00 0.00 C ATOM 989 O GLU A 64 3.080 -1.892 5.933 1.00 0.00 O ATOM 990 CB GLU A 64 6.337 -0.651 5.531 1.00 0.00 C ATOM 991 CG GLU A 64 6.813 -2.104 5.580 1.00 0.00 C ATOM 992 CD GLU A 64 8.046 -2.207 6.478 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.335 -1.244 7.169 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.682 -3.248 6.462 1.00 0.00 O ATOM 0 H GLU A 64 5.261 1.484 4.818 1.00 0.00 H new ATOM 0 HA GLU A 64 4.787 -1.257 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.977 -0.069 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.409 -0.200 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.018 -2.745 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.051 -2.454 4.576 1.00 0.00 H new ATOM 1001 N GLY A 65 4.117 -0.562 7.337 1.00 0.00 N ATOM 1002 CA GLY A 65 3.217 -0.979 8.447 1.00 0.00 C ATOM 1003 C GLY A 65 1.776 -0.937 7.945 1.00 0.00 C ATOM 1004 O GLY A 65 0.912 -1.639 8.430 1.00 0.00 O ATOM 0 H GLY A 65 4.830 0.124 7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.472 -1.984 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.339 -0.316 9.303 1.00 0.00 H new ATOM 1008 N THR A 66 1.519 -0.115 6.962 1.00 0.00 N ATOM 1009 CA THR A 66 0.144 -0.017 6.402 1.00 0.00 C ATOM 1010 C THR A 66 -0.221 -1.341 5.726 1.00 0.00 C ATOM 1011 O THR A 66 -1.258 -1.917 5.985 1.00 0.00 O ATOM 1012 CB THR A 66 0.106 1.112 5.369 1.00 0.00 C ATOM 1013 OG1 THR A 66 0.967 2.161 5.786 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.318 1.649 5.233 1.00 0.00 C ATOM 0 H THR A 66 2.208 0.495 6.522 1.00 0.00 H new ATOM 0 HA THR A 66 -0.569 0.191 7.200 1.00 0.00 H new ATOM 0 HB THR A 66 0.436 0.725 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.834 1.788 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.335 2.452 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.980 0.846 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.656 2.033 6.196 1.00 0.00 H new ATOM 1022 N ALA A 67 0.627 -1.827 4.860 1.00 0.00 N ATOM 1023 CA ALA A 67 0.331 -3.112 4.165 1.00 0.00 C ATOM 1024 C ALA A 67 0.131 -4.226 5.195 1.00 0.00 C ATOM 1025 O ALA A 67 -0.740 -5.062 5.057 1.00 0.00 O ATOM 1026 CB ALA A 67 1.500 -3.476 3.249 1.00 0.00 C ATOM 0 H ALA A 67 1.512 -1.389 4.604 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.578 -2.998 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.285 -4.416 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.642 -2.688 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.407 -3.585 3.843 1.00 0.00 H new ATOM 1032 N ARG A 68 0.933 -4.246 6.223 1.00 0.00 N ATOM 1033 CA ARG A 68 0.793 -5.312 7.258 1.00 0.00 C ATOM 1034 C ARG A 68 -0.618 -5.274 7.846 1.00 0.00 C ATOM 1035 O ARG A 68 -1.118 -6.261 8.346 1.00 0.00 O ATOM 1036 CB ARG A 68 1.814 -5.076 8.372 1.00 0.00 C ATOM 1037 CG ARG A 68 3.047 -5.947 8.130 1.00 0.00 C ATOM 1038 CD ARG A 68 2.747 -7.386 8.552 1.00 0.00 C ATOM 1039 NE ARG A 68 3.887 -8.264 8.171 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.687 -8.728 9.093 1.00 0.00 C ATOM 1041 NH1 ARG A 68 4.196 -9.339 10.135 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.977 -8.578 8.971 1.00 0.00 N ATOM 0 H ARG A 68 1.679 -3.572 6.392 1.00 0.00 H new ATOM 0 HA ARG A 68 0.969 -6.286 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.099 -4.024 8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.373 -5.313 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.326 -5.916 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.895 -5.560 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.582 -7.433 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.831 -7.733 8.073 1.00 0.00 H new ATOM 0 HE ARG A 68 4.043 -8.503 7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.187 -9.455 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.821 -9.701 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.360 -8.099 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.603 -8.940 9.691 1.00 0.00 H new ATOM 1056 N SER A 69 -1.260 -4.141 7.793 1.00 0.00 N ATOM 1057 CA SER A 69 -2.636 -4.038 8.353 1.00 0.00 C ATOM 1058 C SER A 69 -3.638 -4.664 7.382 1.00 0.00 C ATOM 1059 O SER A 69 -4.831 -4.643 7.610 1.00 0.00 O ATOM 1060 CB SER A 69 -2.985 -2.567 8.574 1.00 0.00 C ATOM 1061 OG SER A 69 -2.172 -2.047 9.618 1.00 0.00 O ATOM 0 H SER A 69 -0.891 -3.281 7.386 1.00 0.00 H new ATOM 0 HA SER A 69 -2.680 -4.569 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.826 -2.001 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.039 -2.465 8.832 1.00 0.00 H new ATOM 0 HG SER A 69 -1.254 -1.936 9.293 1.00 0.00 H new ATOM 1067 N MET A 70 -3.171 -5.222 6.297 1.00 0.00 N ATOM 1068 CA MET A 70 -4.107 -5.845 5.320 1.00 0.00 C ATOM 1069 C MET A 70 -3.655 -7.276 5.019 1.00 0.00 C ATOM 1070 O MET A 70 -4.162 -8.229 5.575 1.00 0.00 O ATOM 1071 CB MET A 70 -4.109 -5.031 4.025 1.00 0.00 C ATOM 1072 CG MET A 70 -5.208 -3.966 4.090 1.00 0.00 C ATOM 1073 SD MET A 70 -6.826 -4.756 3.902 1.00 0.00 S ATOM 1074 CE MET A 70 -7.514 -3.583 2.707 1.00 0.00 C ATOM 0 H MET A 70 -2.184 -5.273 6.046 1.00 0.00 H new ATOM 0 HA MET A 70 -5.112 -5.862 5.742 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.138 -4.558 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.275 -5.688 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.159 -3.435 5.041 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.059 -3.226 3.304 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.522 -3.893 2.432 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.549 -2.589 3.152 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.886 -3.560 1.817 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.703 -7.427 4.140 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.209 -8.790 3.794 1.00 0.00 C ATOM 1086 C GLY A 71 -1.136 -8.674 2.710 1.00 0.00 C ATOM 1087 O GLY A 71 -1.178 -9.354 1.701 1.00 0.00 O ATOM 0 H GLY A 71 -2.244 -6.662 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.799 -9.277 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.033 -9.410 3.442 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.170 -7.820 2.913 1.00 0.00 N ATOM 1092 CA ILE A 72 0.907 -7.654 1.898 1.00 0.00 C ATOM 1093 C ILE A 72 2.222 -7.332 2.610 1.00 0.00 C ATOM 1094 O ILE A 72 2.351 -6.328 3.278 1.00 0.00 O ATOM 1095 CB ILE A 72 0.548 -6.504 0.954 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.903 -6.656 0.490 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.475 -6.536 -0.262 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.837 -6.004 1.511 1.00 0.00 C ATOM 0 H ILE A 72 -0.081 -7.229 3.740 1.00 0.00 H new ATOM 0 HA ILE A 72 1.013 -8.575 1.324 1.00 0.00 H new ATOM 0 HB ILE A 72 0.665 -5.555 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.034 -6.191 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.151 -7.711 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.220 -5.717 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.509 -6.428 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.357 -7.485 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.870 -6.112 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.713 -6.489 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.594 -4.945 1.602 1.00 0.00 H new ATOM 1110 N VAL A 73 3.195 -8.190 2.479 1.00 0.00 N ATOM 1111 CA VAL A 73 4.503 -7.953 3.154 1.00 0.00 C ATOM 1112 C VAL A 73 5.485 -7.280 2.190 1.00 0.00 C ATOM 1113 O VAL A 73 5.601 -7.658 1.041 1.00 0.00 O ATOM 1114 CB VAL A 73 5.080 -9.293 3.611 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.301 -9.047 4.496 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.020 -10.053 4.409 1.00 0.00 C ATOM 0 H VAL A 73 3.141 -9.049 1.931 1.00 0.00 H new ATOM 0 HA VAL A 73 4.348 -7.300 4.013 1.00 0.00 H new ATOM 0 HB VAL A 73 5.375 -9.879 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.713 -10.002 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.056 -8.501 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.007 -8.462 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.428 -11.009 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.729 -9.465 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.147 -10.227 3.780 1.00 0.00 H new ATOM 1126 N VAL A 74 6.197 -6.288 2.656 1.00 0.00 N ATOM 1127 CA VAL A 74 7.179 -5.590 1.777 1.00 0.00 C ATOM 1128 C VAL A 74 8.573 -6.174 2.008 1.00 0.00 C ATOM 1129 O VAL A 74 8.950 -6.494 3.117 1.00 0.00 O ATOM 1130 CB VAL A 74 7.193 -4.096 2.107 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.980 -3.343 1.033 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.758 -3.570 2.150 1.00 0.00 C ATOM 0 H VAL A 74 6.140 -5.931 3.610 1.00 0.00 H new ATOM 0 HA VAL A 74 6.893 -5.728 0.734 1.00 0.00 H new ATOM 0 HB VAL A 74 7.665 -3.943 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.990 -2.279 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.003 -3.717 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.508 -3.496 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.767 -2.506 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.285 -3.723 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.197 -4.106 2.916 1.00 0.00 H new ATOM 1142 N GLU A 75 9.343 -6.312 0.966 1.00 0.00 N ATOM 1143 CA GLU A 75 10.717 -6.872 1.112 1.00 0.00 C ATOM 1144 C GLU A 75 11.735 -5.859 0.594 1.00 0.00 C ATOM 1145 O GLU A 75 11.434 -5.037 -0.249 1.00 0.00 O ATOM 1146 CB GLU A 75 10.829 -8.165 0.305 1.00 0.00 C ATOM 1147 CG GLU A 75 11.455 -9.257 1.173 1.00 0.00 C ATOM 1148 CD GLU A 75 10.373 -10.251 1.603 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.575 -10.628 0.759 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.358 -10.614 2.767 1.00 0.00 O ATOM 0 H GLU A 75 9.079 -6.060 0.014 1.00 0.00 H new ATOM 0 HA GLU A 75 10.915 -7.082 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.843 -8.479 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.437 -7.999 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.238 -9.773 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.926 -8.814 2.050 1.00 0.00 H new ATOM 1157 N ASP A 76 12.940 -5.910 1.089 1.00 0.00 N ATOM 1158 CA ASP A 76 13.974 -4.947 0.623 1.00 0.00 C ATOM 1159 C ASP A 76 15.363 -5.447 1.027 1.00 0.00 C ATOM 1160 O ASP A 76 15.561 -5.701 2.202 1.00 0.00 O ATOM 1161 CB ASP A 76 13.720 -3.578 1.258 1.00 0.00 C ATOM 1162 CG ASP A 76 14.494 -2.507 0.489 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.338 -2.875 -0.312 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.229 -1.337 0.712 1.00 0.00 O ATOM 1165 OXT ASP A 76 16.205 -5.565 0.151 1.00 0.00 O ATOM 0 H ASP A 76 13.253 -6.576 1.795 1.00 0.00 H new ATOM 0 HA ASP A 76 13.923 -4.860 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.654 -3.351 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.031 -3.587 2.303 1.00 0.00 H new