USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.144 (180deg=-0.000931) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 7 THR OG1 : rot -173:sc= 1.25 USER MOD Single : A 17 SER OG : rot 79:sc= -0.699! USER MOD Single : A 21 THR OG1 : rot 80:sc= 0.157 USER MOD Single : A 24 THR OG1 : rot 3:sc= 0.989 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -158:sc= 0.357 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 178:sc= -1.48 (180deg=-1.57) USER MOD Single : A 48 THR OG1 : rot 63:sc= 1.27 USER MOD Single : A 54 SER OG : rot 73:sc= 0.306 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.365 USER MOD Single : A 79 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.687 9.300 0.278 1.00 5.55 N ATOM 2 CA MET A 1 -16.891 8.512 -0.668 1.00 4.81 C ATOM 3 C MET A 1 -15.432 8.568 -0.297 1.00 4.08 C ATOM 4 O MET A 1 -15.021 9.405 0.518 1.00 4.33 O ATOM 5 CB MET A 1 -17.064 8.988 -2.118 1.00 5.00 C ATOM 6 CG MET A 1 -18.446 8.790 -2.690 1.00 5.78 C ATOM 7 SD MET A 1 -18.558 9.299 -4.417 1.00 6.34 S ATOM 8 CE MET A 1 -20.284 8.954 -4.739 1.00 6.63 C ATOM 0 H1 MET A 1 -18.323 8.669 0.807 1.00 5.55 H new ATOM 0 H2 MET A 1 -17.053 9.789 0.942 1.00 5.55 H new ATOM 0 H3 MET A 1 -18.250 10.002 -0.243 1.00 5.55 H new ATOM 0 HA MET A 1 -17.254 7.486 -0.607 1.00 4.81 H new ATOM 0 HB2 MET A 1 -16.813 10.048 -2.170 1.00 5.00 H new ATOM 0 HB3 MET A 1 -16.347 8.460 -2.747 1.00 5.00 H new ATOM 0 HG2 MET A 1 -18.724 7.739 -2.605 1.00 5.78 H new ATOM 0 HG3 MET A 1 -19.165 9.358 -2.100 1.00 5.78 H new ATOM 0 HE1 MET A 1 -20.521 9.214 -5.771 1.00 6.63 H new ATOM 0 HE2 MET A 1 -20.479 7.894 -4.578 1.00 6.63 H new ATOM 0 HE3 MET A 1 -20.905 9.544 -4.064 1.00 6.63 H new ATOM 20 N ALA A 2 -14.651 7.683 -0.875 1.00 3.63 N ATOM 21 CA ALA A 2 -13.230 7.646 -0.644 1.00 3.34 C ATOM 22 C ALA A 2 -12.498 7.879 -1.952 1.00 2.29 C ATOM 23 O ALA A 2 -12.977 7.478 -3.023 1.00 2.60 O ATOM 24 CB ALA A 2 -12.824 6.312 -0.036 1.00 4.09 C ATOM 0 H ALA A 2 -14.987 6.968 -1.520 1.00 3.63 H new ATOM 0 HA ALA A 2 -12.962 8.434 0.060 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -11.747 6.301 0.132 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -13.341 6.173 0.914 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -13.093 5.505 -0.717 1.00 4.09 H new ATOM 30 N THR A 3 -11.389 8.554 -1.878 1.00 1.66 N ATOM 31 CA THR A 3 -10.584 8.836 -3.030 1.00 1.24 C ATOM 32 C THR A 3 -9.593 7.719 -3.246 1.00 1.06 C ATOM 33 O THR A 3 -8.833 7.327 -2.345 1.00 1.81 O ATOM 34 CB THR A 3 -9.911 10.248 -2.934 1.00 2.06 C ATOM 35 OG1 THR A 3 -9.092 10.509 -4.080 1.00 2.62 O ATOM 36 CG2 THR A 3 -9.099 10.429 -1.655 1.00 2.77 C ATOM 0 H THR A 3 -11.014 8.928 -1.007 1.00 1.66 H new ATOM 0 HA THR A 3 -11.224 8.880 -3.911 1.00 1.24 H new ATOM 0 HB THR A 3 -10.725 10.972 -2.906 1.00 2.06 H new ATOM 0 HG1 THR A 3 -8.685 11.397 -3.996 1.00 2.62 H new ATOM 0 HG21 THR A 3 -8.656 11.425 -1.643 1.00 2.77 H new ATOM 0 HG22 THR A 3 -9.752 10.312 -0.790 1.00 2.77 H new ATOM 0 HG23 THR A 3 -8.308 9.680 -1.617 1.00 2.77 H new ATOM 44 N LEU A 4 -9.676 7.168 -4.427 1.00 0.89 N ATOM 45 CA LEU A 4 -8.909 6.049 -4.838 1.00 0.69 C ATOM 46 C LEU A 4 -7.420 6.372 -4.798 1.00 0.63 C ATOM 47 O LEU A 4 -7.005 7.522 -4.968 1.00 0.87 O ATOM 48 CB LEU A 4 -9.287 5.671 -6.248 1.00 0.83 C ATOM 49 CG LEU A 4 -8.922 4.272 -6.639 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.854 3.274 -5.971 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.881 4.098 -8.143 1.00 1.51 C ATOM 0 H LEU A 4 -10.309 7.509 -5.150 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.113 5.223 -4.157 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.363 5.799 -6.368 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.805 6.364 -6.937 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.911 4.074 -6.283 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.575 2.262 -6.266 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.776 3.371 -4.888 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.881 3.472 -6.280 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.612 3.069 -8.383 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.861 4.324 -8.562 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.140 4.775 -8.568 1.00 1.51 H new ATOM 63 N LEU A 5 -6.639 5.370 -4.595 1.00 0.49 N ATOM 64 CA LEU A 5 -5.228 5.507 -4.489 1.00 0.44 C ATOM 65 C LEU A 5 -4.576 5.156 -5.800 1.00 0.39 C ATOM 66 O LEU A 5 -4.935 4.149 -6.420 1.00 0.42 O ATOM 67 CB LEU A 5 -4.713 4.530 -3.449 1.00 0.47 C ATOM 68 CG LEU A 5 -5.314 4.611 -2.056 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.743 3.505 -1.202 1.00 0.80 C ATOM 70 CD2 LEU A 5 -5.045 5.967 -1.425 1.00 0.79 C ATOM 0 H LEU A 5 -6.970 4.410 -4.496 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.995 6.536 -4.214 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -4.873 3.520 -3.827 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.636 4.670 -3.360 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.395 4.490 -2.129 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.172 3.560 -0.201 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.984 2.540 -1.648 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.660 3.616 -1.139 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.486 5.999 -0.429 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.969 6.127 -1.351 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.487 6.749 -2.042 1.00 0.79 H new ATOM 82 N THR A 6 -3.668 5.975 -6.239 1.00 0.38 N ATOM 83 CA THR A 6 -2.852 5.623 -7.362 1.00 0.40 C ATOM 84 C THR A 6 -1.515 5.140 -6.821 1.00 0.34 C ATOM 85 O THR A 6 -1.353 5.064 -5.587 1.00 0.30 O ATOM 86 CB THR A 6 -2.644 6.809 -8.343 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.116 7.958 -7.645 1.00 0.56 O ATOM 88 CG2 THR A 6 -3.947 7.182 -9.031 1.00 0.63 C ATOM 0 H THR A 6 -3.473 6.892 -5.837 1.00 0.38 H new ATOM 0 HA THR A 6 -3.352 4.842 -7.935 1.00 0.40 H new ATOM 0 HB THR A 6 -1.928 6.492 -9.101 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.754 8.245 -6.958 1.00 0.56 H new ATOM 0 HG21 THR A 6 -3.773 8.015 -9.712 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.320 6.326 -9.593 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.683 7.473 -8.282 1.00 0.63 H new ATOM 96 N THR A 7 -0.566 4.822 -7.689 1.00 0.37 N ATOM 97 CA THR A 7 0.769 4.446 -7.264 1.00 0.37 C ATOM 98 C THR A 7 1.371 5.588 -6.423 1.00 0.35 C ATOM 99 O THR A 7 2.039 5.361 -5.413 1.00 0.34 O ATOM 100 CB THR A 7 1.641 4.191 -8.494 1.00 0.48 C ATOM 101 OG1 THR A 7 0.933 3.329 -9.398 1.00 0.61 O ATOM 102 CG2 THR A 7 2.943 3.531 -8.092 1.00 0.56 C ATOM 0 H THR A 7 -0.701 4.818 -8.700 1.00 0.37 H new ATOM 0 HA THR A 7 0.725 3.538 -6.663 1.00 0.37 H new ATOM 0 HB THR A 7 1.864 5.143 -8.976 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.523 3.077 -10.139 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.552 3.357 -8.979 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.483 4.181 -7.404 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.733 2.580 -7.603 1.00 0.56 H new ATOM 110 N ASP A 8 1.089 6.807 -6.859 1.00 0.43 N ATOM 111 CA ASP A 8 1.530 8.031 -6.197 1.00 0.50 C ATOM 112 C ASP A 8 0.991 8.113 -4.760 1.00 0.44 C ATOM 113 O ASP A 8 1.740 8.374 -3.813 1.00 0.46 O ATOM 114 CB ASP A 8 1.053 9.239 -7.006 1.00 0.67 C ATOM 115 CG ASP A 8 1.479 10.554 -6.414 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.576 11.038 -6.754 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.729 11.124 -5.606 1.00 1.65 O ATOM 0 H ASP A 8 0.537 6.979 -7.699 1.00 0.43 H new ATOM 0 HA ASP A 8 2.619 8.026 -6.144 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.440 9.163 -8.022 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.034 9.215 -7.076 1.00 0.67 H new ATOM 122 N ASP A 9 -0.303 7.850 -4.611 1.00 0.42 N ATOM 123 CA ASP A 9 -0.973 7.881 -3.291 1.00 0.42 C ATOM 124 C ASP A 9 -0.441 6.784 -2.417 1.00 0.40 C ATOM 125 O ASP A 9 -0.213 6.972 -1.216 1.00 0.45 O ATOM 126 CB ASP A 9 -2.485 7.665 -3.416 1.00 0.46 C ATOM 127 CG ASP A 9 -3.217 8.724 -4.177 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.244 8.652 -5.421 1.00 1.41 O ATOM 129 OD2 ASP A 9 -3.823 9.617 -3.559 1.00 0.86 O ATOM 0 H ASP A 9 -0.922 7.610 -5.385 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.776 8.863 -2.862 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.660 6.705 -3.901 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.911 7.599 -2.415 1.00 0.46 H new ATOM 134 N LEU A 10 -0.222 5.637 -3.034 1.00 0.37 N ATOM 135 CA LEU A 10 0.239 4.456 -2.346 1.00 0.36 C ATOM 136 C LEU A 10 1.639 4.705 -1.804 1.00 0.36 C ATOM 137 O LEU A 10 1.917 4.406 -0.653 1.00 0.41 O ATOM 138 CB LEU A 10 0.250 3.270 -3.312 1.00 0.35 C ATOM 139 CG LEU A 10 0.335 1.894 -2.675 1.00 0.37 C ATOM 140 CD1 LEU A 10 -0.931 1.624 -1.876 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.548 0.824 -3.733 1.00 0.37 C ATOM 0 H LEU A 10 -0.362 5.503 -4.035 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.431 4.228 -1.517 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.655 3.313 -3.919 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.095 3.387 -3.991 1.00 0.35 H new ATOM 0 HG LEU A 10 1.190 1.866 -2.000 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.869 0.636 -1.419 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.037 2.378 -1.096 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.795 1.664 -2.539 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.606 -0.154 -3.255 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.286 0.836 -4.435 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.477 1.022 -4.269 1.00 0.37 H new ATOM 153 N ARG A 11 2.490 5.291 -2.645 1.00 0.36 N ATOM 154 CA ARG A 11 3.865 5.663 -2.294 1.00 0.38 C ATOM 155 C ARG A 11 3.871 6.459 -1.008 1.00 0.39 C ATOM 156 O ARG A 11 4.548 6.103 -0.043 1.00 0.41 O ATOM 157 CB ARG A 11 4.439 6.542 -3.391 1.00 0.42 C ATOM 158 CG ARG A 11 5.874 6.987 -3.171 1.00 0.52 C ATOM 159 CD ARG A 11 6.237 8.081 -4.147 1.00 0.71 C ATOM 160 NE ARG A 11 5.937 7.694 -5.530 1.00 1.21 N ATOM 161 CZ ARG A 11 5.170 8.416 -6.354 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.691 9.579 -5.951 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.890 7.975 -7.574 1.00 2.46 N ATOM 0 H ARG A 11 2.242 5.526 -3.606 1.00 0.36 H new ATOM 0 HA ARG A 11 4.457 4.755 -2.175 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.383 6.001 -4.336 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.811 7.427 -3.492 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.999 7.345 -2.149 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.548 6.140 -3.296 1.00 0.52 H new ATOM 0 HD2 ARG A 11 5.689 8.989 -3.896 1.00 0.71 H new ATOM 0 HD3 ARG A 11 7.298 8.313 -4.056 1.00 0.71 H new ATOM 0 HE ARG A 11 6.336 6.824 -5.883 1.00 1.21 H new ATOM 0 HH11 ARG A 11 4.907 9.923 -5.015 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.106 10.133 -6.576 1.00 1.92 H new ATOM 0 HH21 ARG A 11 5.261 7.079 -7.890 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.304 8.532 -8.196 1.00 2.46 H new ATOM 177 N ARG A 12 3.085 7.525 -1.014 1.00 0.42 N ATOM 178 CA ARG A 12 2.954 8.414 0.116 1.00 0.47 C ATOM 179 C ARG A 12 2.530 7.668 1.372 1.00 0.43 C ATOM 180 O ARG A 12 3.148 7.825 2.423 1.00 0.48 O ATOM 181 CB ARG A 12 1.987 9.551 -0.212 1.00 0.60 C ATOM 182 CG ARG A 12 1.589 10.386 0.990 1.00 1.18 C ATOM 183 CD ARG A 12 0.841 11.641 0.601 1.00 1.47 C ATOM 184 NE ARG A 12 -0.333 11.393 -0.242 1.00 2.25 N ATOM 185 CZ ARG A 12 -1.377 12.226 -0.365 1.00 2.83 C ATOM 186 NH1 ARG A 12 -1.420 13.372 0.318 1.00 2.60 N ATOM 187 NH2 ARG A 12 -2.371 11.906 -1.181 1.00 3.93 N ATOM 0 H ARG A 12 2.516 7.795 -1.816 1.00 0.42 H new ATOM 0 HA ARG A 12 3.933 8.846 0.321 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.445 10.201 -0.958 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.088 9.131 -0.664 1.00 0.60 H new ATOM 0 HG2 ARG A 12 0.966 9.787 1.654 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.483 10.659 1.551 1.00 1.18 H new ATOM 0 HD2 ARG A 12 0.524 12.159 1.506 1.00 1.47 H new ATOM 0 HD3 ARG A 12 1.521 12.309 0.073 1.00 1.47 H new ATOM 0 HE ARG A 12 -0.357 10.523 -0.774 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -0.653 13.623 0.942 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.220 13.997 0.216 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -2.337 11.033 -1.708 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -3.170 12.532 -1.282 1.00 3.93 H new ATOM 201 N ALA A 13 1.533 6.811 1.236 1.00 0.40 N ATOM 202 CA ALA A 13 1.006 6.062 2.360 1.00 0.42 C ATOM 203 C ALA A 13 2.072 5.144 2.965 1.00 0.41 C ATOM 204 O ALA A 13 2.177 5.040 4.191 1.00 0.50 O ATOM 205 CB ALA A 13 -0.211 5.265 1.935 1.00 0.45 C ATOM 0 H ALA A 13 1.069 6.617 0.349 1.00 0.40 H new ATOM 0 HA ALA A 13 0.707 6.772 3.131 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.597 4.707 2.788 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.980 5.944 1.567 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.068 4.570 1.143 1.00 0.45 H new ATOM 211 N LEU A 14 2.874 4.502 2.115 1.00 0.38 N ATOM 212 CA LEU A 14 3.973 3.658 2.588 1.00 0.46 C ATOM 213 C LEU A 14 5.022 4.478 3.332 1.00 0.54 C ATOM 214 O LEU A 14 5.561 4.034 4.357 1.00 0.69 O ATOM 215 CB LEU A 14 4.632 2.846 1.449 1.00 0.48 C ATOM 216 CG LEU A 14 3.983 1.495 1.065 1.00 0.54 C ATOM 217 CD1 LEU A 14 2.590 1.648 0.491 1.00 1.21 C ATOM 218 CD2 LEU A 14 4.877 0.717 0.115 1.00 1.44 C ATOM 0 H LEU A 14 2.785 4.549 1.100 1.00 0.38 H new ATOM 0 HA LEU A 14 3.532 2.943 3.282 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.654 3.474 0.558 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.668 2.654 1.729 1.00 0.48 H new ATOM 0 HG LEU A 14 3.875 0.930 1.991 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.189 0.665 0.242 1.00 1.21 H new ATOM 0 HD12 LEU A 14 1.944 2.127 1.227 1.00 1.21 H new ATOM 0 HD13 LEU A 14 2.633 2.261 -0.409 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.400 -0.229 -0.141 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.038 1.299 -0.792 1.00 1.44 H new ATOM 0 HD23 LEU A 14 5.836 0.522 0.595 1.00 1.44 H new ATOM 230 N VAL A 15 5.292 5.676 2.840 1.00 0.53 N ATOM 231 CA VAL A 15 6.255 6.568 3.475 1.00 0.63 C ATOM 232 C VAL A 15 5.727 7.016 4.841 1.00 0.66 C ATOM 233 O VAL A 15 6.437 6.933 5.842 1.00 0.80 O ATOM 234 CB VAL A 15 6.571 7.810 2.592 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.539 8.751 3.303 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.162 7.376 1.258 1.00 0.71 C ATOM 0 H VAL A 15 4.857 6.057 2.000 1.00 0.53 H new ATOM 0 HA VAL A 15 7.184 6.013 3.603 1.00 0.63 H new ATOM 0 HB VAL A 15 5.637 8.342 2.413 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.744 9.611 2.666 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.095 9.090 4.239 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.470 8.225 3.513 1.00 0.76 H new ATOM 0 HG21 VAL A 15 7.377 8.256 0.652 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.084 6.821 1.432 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.449 6.740 0.734 1.00 0.71 H new ATOM 246 N GLU A 16 4.462 7.444 4.875 1.00 0.62 N ATOM 247 CA GLU A 16 3.819 7.908 6.108 1.00 0.71 C ATOM 248 C GLU A 16 3.811 6.814 7.164 1.00 0.74 C ATOM 249 O GLU A 16 4.061 7.070 8.337 1.00 0.89 O ATOM 250 CB GLU A 16 2.377 8.341 5.857 1.00 0.79 C ATOM 251 CG GLU A 16 2.206 9.505 4.907 1.00 0.87 C ATOM 252 CD GLU A 16 0.759 9.885 4.766 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.054 9.324 3.916 1.00 2.05 O ATOM 254 OE2 GLU A 16 0.283 10.748 5.534 1.00 1.38 O ATOM 0 H GLU A 16 3.858 7.479 4.054 1.00 0.62 H new ATOM 0 HA GLU A 16 4.399 8.761 6.461 1.00 0.71 H new ATOM 0 HB2 GLU A 16 1.823 7.489 5.464 1.00 0.79 H new ATOM 0 HB3 GLU A 16 1.923 8.604 6.812 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.775 10.361 5.270 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.613 9.243 3.930 1.00 0.87 H new ATOM 261 N SER A 17 3.568 5.600 6.738 1.00 0.68 N ATOM 262 CA SER A 17 3.494 4.468 7.635 1.00 0.77 C ATOM 263 C SER A 17 4.879 4.020 8.114 1.00 0.89 C ATOM 264 O SER A 17 5.011 3.282 9.097 1.00 1.15 O ATOM 265 CB SER A 17 2.773 3.353 6.944 1.00 0.73 C ATOM 266 OG SER A 17 1.507 3.807 6.480 1.00 1.39 O ATOM 0 H SER A 17 3.415 5.365 5.757 1.00 0.68 H new ATOM 0 HA SER A 17 2.944 4.764 8.529 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.367 2.988 6.106 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.640 2.515 7.629 1.00 0.73 H new ATOM 0 HG SER A 17 1.625 4.313 5.649 1.00 1.39 H new ATOM 272 N ALA A 18 5.902 4.476 7.428 1.00 0.82 N ATOM 273 CA ALA A 18 7.261 4.213 7.832 1.00 1.03 C ATOM 274 C ALA A 18 7.733 5.357 8.716 1.00 1.22 C ATOM 275 O ALA A 18 8.810 5.312 9.309 1.00 1.58 O ATOM 276 CB ALA A 18 8.161 4.085 6.607 1.00 1.03 C ATOM 0 H ALA A 18 5.815 5.036 6.580 1.00 0.82 H new ATOM 0 HA ALA A 18 7.307 3.275 8.385 1.00 1.03 H new ATOM 0 HB1 ALA A 18 9.184 3.887 6.926 1.00 1.03 H new ATOM 0 HB2 ALA A 18 7.810 3.264 5.982 1.00 1.03 H new ATOM 0 HB3 ALA A 18 8.133 5.013 6.036 1.00 1.03 H new ATOM 282 N GLY A 19 6.894 6.375 8.808 1.00 1.23 N ATOM 283 CA GLY A 19 7.214 7.567 9.529 1.00 1.56 C ATOM 284 C GLY A 19 8.079 8.431 8.676 1.00 1.74 C ATOM 285 O GLY A 19 7.582 9.164 7.813 1.00 2.32 O ATOM 0 H GLY A 19 5.969 6.385 8.377 1.00 1.23 H new ATOM 0 HA2 GLY A 19 6.302 8.099 9.801 1.00 1.56 H new ATOM 0 HA3 GLY A 19 7.728 7.319 10.458 1.00 1.56 H new ATOM 289 N GLU A 20 9.348 8.333 8.903 1.00 2.01 N ATOM 290 CA GLU A 20 10.354 8.964 8.109 1.00 2.53 C ATOM 291 C GLU A 20 11.654 8.266 8.416 1.00 2.51 C ATOM 292 O GLU A 20 12.315 8.552 9.411 1.00 3.17 O ATOM 293 CB GLU A 20 10.455 10.476 8.368 1.00 3.47 C ATOM 294 CG GLU A 20 11.471 11.187 7.478 1.00 4.03 C ATOM 295 CD GLU A 20 11.157 11.065 5.999 1.00 4.59 C ATOM 296 OE1 GLU A 20 11.509 10.038 5.380 1.00 4.85 O ATOM 297 OE2 GLU A 20 10.578 12.013 5.423 1.00 5.17 O ATOM 0 H GLU A 20 9.729 7.789 9.678 1.00 2.01 H new ATOM 0 HA GLU A 20 10.099 8.874 7.053 1.00 2.53 H new ATOM 0 HB2 GLU A 20 9.475 10.927 8.216 1.00 3.47 H new ATOM 0 HB3 GLU A 20 10.723 10.639 9.412 1.00 3.47 H new ATOM 0 HG2 GLU A 20 11.507 12.242 7.750 1.00 4.03 H new ATOM 0 HG3 GLU A 20 12.462 10.775 7.668 1.00 4.03 H new ATOM 304 N THR A 21 11.958 7.292 7.626 1.00 2.53 N ATOM 305 CA THR A 21 13.139 6.513 7.817 1.00 3.19 C ATOM 306 C THR A 21 14.071 6.721 6.634 1.00 3.12 C ATOM 307 O THR A 21 14.936 7.588 6.662 1.00 3.48 O ATOM 308 CB THR A 21 12.763 5.023 7.989 1.00 4.10 C ATOM 309 OG1 THR A 21 11.741 4.912 8.993 1.00 4.58 O ATOM 310 CG2 THR A 21 13.970 4.197 8.420 1.00 4.86 C ATOM 0 H THR A 21 11.393 7.011 6.825 1.00 2.53 H new ATOM 0 HA THR A 21 13.656 6.831 8.722 1.00 3.19 H new ATOM 0 HB THR A 21 12.407 4.644 7.031 1.00 4.10 H new ATOM 0 HG1 THR A 21 10.871 5.135 8.600 1.00 4.58 H new ATOM 0 HG21 THR A 21 13.675 3.154 8.533 1.00 4.86 H new ATOM 0 HG22 THR A 21 14.752 4.273 7.664 1.00 4.86 H new ATOM 0 HG23 THR A 21 14.347 4.573 9.371 1.00 4.86 H new ATOM 318 N ASP A 22 13.873 5.968 5.602 1.00 3.06 N ATOM 319 CA ASP A 22 14.696 6.087 4.432 1.00 3.18 C ATOM 320 C ASP A 22 13.843 6.567 3.283 1.00 2.90 C ATOM 321 O ASP A 22 14.144 7.570 2.652 1.00 3.34 O ATOM 322 CB ASP A 22 15.361 4.757 4.105 1.00 3.66 C ATOM 323 CG ASP A 22 16.334 4.874 2.968 1.00 4.04 C ATOM 324 OD1 ASP A 22 17.528 5.156 3.218 1.00 4.28 O ATOM 325 OD2 ASP A 22 15.931 4.674 1.807 1.00 4.50 O ATOM 0 H ASP A 22 13.144 5.257 5.541 1.00 3.06 H new ATOM 0 HA ASP A 22 15.491 6.810 4.614 1.00 3.18 H new ATOM 0 HB2 ASP A 22 15.880 4.385 4.988 1.00 3.66 H new ATOM 0 HB3 ASP A 22 14.596 4.023 3.852 1.00 3.66 H new ATOM 330 N GLY A 23 12.757 5.858 3.032 1.00 2.71 N ATOM 331 CA GLY A 23 11.806 6.270 2.009 1.00 2.74 C ATOM 332 C GLY A 23 12.127 5.728 0.630 1.00 2.39 C ATOM 333 O GLY A 23 11.226 5.609 -0.216 1.00 2.77 O ATOM 0 H GLY A 23 12.510 4.997 3.519 1.00 2.71 H new ATOM 0 HA2 GLY A 23 10.808 5.939 2.297 1.00 2.74 H new ATOM 0 HA3 GLY A 23 11.780 7.359 1.966 1.00 2.74 H new ATOM 337 N THR A 24 13.397 5.373 0.420 1.00 2.07 N ATOM 338 CA THR A 24 13.945 4.869 -0.836 1.00 1.91 C ATOM 339 C THR A 24 13.643 5.803 -2.036 1.00 1.88 C ATOM 340 O THR A 24 13.214 6.964 -1.867 1.00 2.57 O ATOM 341 CB THR A 24 13.488 3.401 -1.140 1.00 2.18 C ATOM 342 OG1 THR A 24 12.062 3.323 -1.337 1.00 2.87 O ATOM 343 CG2 THR A 24 13.874 2.466 -0.005 1.00 2.46 C ATOM 0 H THR A 24 14.101 5.433 1.156 1.00 2.07 H new ATOM 0 HA THR A 24 15.026 4.855 -0.701 1.00 1.91 H new ATOM 0 HB THR A 24 13.994 3.096 -2.056 1.00 2.18 H new ATOM 0 HG1 THR A 24 11.674 4.221 -1.278 1.00 2.87 H new ATOM 0 HG21 THR A 24 13.546 1.454 -0.240 1.00 2.46 H new ATOM 0 HG22 THR A 24 14.956 2.476 0.123 1.00 2.46 H new ATOM 0 HG23 THR A 24 13.397 2.797 0.917 1.00 2.46 H new ATOM 351 N ASP A 25 13.898 5.330 -3.223 1.00 1.70 N ATOM 352 CA ASP A 25 13.473 6.006 -4.410 1.00 1.79 C ATOM 353 C ASP A 25 12.203 5.332 -4.815 1.00 1.40 C ATOM 354 O ASP A 25 12.205 4.356 -5.567 1.00 1.51 O ATOM 355 CB ASP A 25 14.520 5.938 -5.541 1.00 2.34 C ATOM 356 CG ASP A 25 15.811 6.650 -5.199 1.00 2.77 C ATOM 357 OD1 ASP A 25 16.722 6.023 -4.635 1.00 3.17 O ATOM 358 OD2 ASP A 25 15.934 7.863 -5.476 1.00 3.23 O ATOM 0 H ASP A 25 14.408 4.463 -3.392 1.00 1.70 H new ATOM 0 HA ASP A 25 13.335 7.070 -4.218 1.00 1.79 H new ATOM 0 HB2 ASP A 25 14.737 4.893 -5.765 1.00 2.34 H new ATOM 0 HB3 ASP A 25 14.098 6.377 -6.445 1.00 2.34 H new ATOM 363 N LEU A 26 11.131 5.763 -4.195 1.00 1.16 N ATOM 364 CA LEU A 26 9.835 5.134 -4.369 1.00 0.93 C ATOM 365 C LEU A 26 8.999 5.962 -5.328 1.00 0.82 C ATOM 366 O LEU A 26 7.848 5.620 -5.654 1.00 0.80 O ATOM 367 CB LEU A 26 9.157 5.023 -2.994 1.00 0.99 C ATOM 368 CG LEU A 26 8.087 3.949 -2.832 1.00 0.82 C ATOM 369 CD1 LEU A 26 8.714 2.576 -2.982 1.00 0.95 C ATOM 370 CD2 LEU A 26 7.412 4.072 -1.475 1.00 1.03 C ATOM 0 H LEU A 26 11.128 6.558 -3.556 1.00 1.16 H new ATOM 0 HA LEU A 26 9.944 4.135 -4.791 1.00 0.93 H new ATOM 0 HB2 LEU A 26 9.932 4.844 -2.248 1.00 0.99 H new ATOM 0 HB3 LEU A 26 8.706 5.988 -2.760 1.00 0.99 H new ATOM 0 HG LEU A 26 7.331 4.084 -3.606 1.00 0.82 H new ATOM 0 HD11 LEU A 26 7.946 1.811 -2.866 1.00 0.95 H new ATOM 0 HD12 LEU A 26 9.167 2.489 -3.970 1.00 0.95 H new ATOM 0 HD13 LEU A 26 9.480 2.440 -2.219 1.00 0.95 H new ATOM 0 HD21 LEU A 26 6.651 3.298 -1.376 1.00 1.03 H new ATOM 0 HD22 LEU A 26 8.155 3.953 -0.687 1.00 1.03 H new ATOM 0 HD23 LEU A 26 6.945 5.053 -1.388 1.00 1.03 H new ATOM 382 N SER A 27 9.575 7.053 -5.758 1.00 0.90 N ATOM 383 CA SER A 27 8.960 7.933 -6.694 1.00 0.92 C ATOM 384 C SER A 27 8.878 7.260 -8.052 1.00 0.91 C ATOM 385 O SER A 27 9.763 6.497 -8.435 1.00 1.08 O ATOM 386 CB SER A 27 9.744 9.221 -6.744 1.00 1.15 C ATOM 387 OG SER A 27 9.864 9.737 -5.431 1.00 1.46 O ATOM 0 H SER A 27 10.502 7.353 -5.457 1.00 0.90 H new ATOM 0 HA SER A 27 7.941 8.169 -6.387 1.00 0.92 H new ATOM 0 HB2 SER A 27 10.731 9.045 -7.171 1.00 1.15 H new ATOM 0 HB3 SER A 27 9.242 9.943 -7.388 1.00 1.15 H new ATOM 0 HG SER A 27 10.374 10.574 -5.454 1.00 1.46 H new ATOM 393 N GLY A 28 7.820 7.521 -8.737 1.00 0.93 N ATOM 394 CA GLY A 28 7.563 6.864 -9.972 1.00 0.99 C ATOM 395 C GLY A 28 6.586 5.750 -9.743 1.00 0.85 C ATOM 396 O GLY A 28 5.891 5.732 -8.704 1.00 1.02 O ATOM 0 H GLY A 28 7.108 8.196 -8.458 1.00 0.93 H new ATOM 0 HA2 GLY A 28 7.162 7.572 -10.698 1.00 0.99 H new ATOM 0 HA3 GLY A 28 8.490 6.471 -10.388 1.00 0.99 H new ATOM 400 N ASP A 29 6.514 4.834 -10.644 1.00 0.70 N ATOM 401 CA ASP A 29 5.599 3.737 -10.491 1.00 0.64 C ATOM 402 C ASP A 29 6.350 2.560 -9.930 1.00 0.55 C ATOM 403 O ASP A 29 7.145 1.932 -10.623 1.00 0.74 O ATOM 404 CB ASP A 29 4.925 3.371 -11.812 1.00 0.80 C ATOM 405 CG ASP A 29 3.837 2.342 -11.622 1.00 1.29 C ATOM 406 OD1 ASP A 29 2.679 2.738 -11.348 1.00 1.68 O ATOM 407 OD2 ASP A 29 4.108 1.134 -11.744 1.00 2.07 O ATOM 0 H ASP A 29 7.073 4.814 -11.497 1.00 0.70 H new ATOM 0 HA ASP A 29 4.804 4.033 -9.806 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.502 4.268 -12.264 1.00 0.80 H new ATOM 0 HB3 ASP A 29 5.672 2.986 -12.506 1.00 0.80 H new ATOM 412 N PHE A 30 6.128 2.273 -8.673 1.00 0.39 N ATOM 413 CA PHE A 30 6.864 1.218 -8.008 1.00 0.34 C ATOM 414 C PHE A 30 6.038 -0.059 -7.896 1.00 0.31 C ATOM 415 O PHE A 30 6.399 -0.947 -7.160 1.00 0.31 O ATOM 416 CB PHE A 30 7.353 1.678 -6.606 1.00 0.35 C ATOM 417 CG PHE A 30 6.287 1.810 -5.532 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.440 2.899 -5.492 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.157 0.831 -4.550 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.483 3.010 -4.501 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.207 0.935 -3.557 1.00 0.38 C ATOM 422 CZ PHE A 30 4.365 2.028 -3.533 1.00 0.42 C ATOM 0 H PHE A 30 5.445 2.752 -8.086 1.00 0.39 H new ATOM 0 HA PHE A 30 7.737 0.996 -8.621 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.105 0.970 -6.257 1.00 0.35 H new ATOM 0 HB3 PHE A 30 7.849 2.642 -6.716 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.526 3.671 -6.242 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.813 -0.026 -4.567 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.825 3.866 -4.482 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.122 0.166 -2.803 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.616 2.117 -2.760 1.00 0.42 H new ATOM 432 N LEU A 31 4.943 -0.151 -8.651 1.00 0.31 N ATOM 433 CA LEU A 31 4.047 -1.329 -8.605 1.00 0.31 C ATOM 434 C LEU A 31 4.747 -2.684 -8.806 1.00 0.31 C ATOM 435 O LEU A 31 4.250 -3.713 -8.339 1.00 0.35 O ATOM 436 CB LEU A 31 2.848 -1.194 -9.538 1.00 0.33 C ATOM 437 CG LEU A 31 1.855 -0.080 -9.206 1.00 0.34 C ATOM 438 CD1 LEU A 31 0.637 -0.190 -10.091 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.449 -0.129 -7.745 1.00 0.32 C ATOM 0 H LEU A 31 4.646 0.572 -9.306 1.00 0.31 H new ATOM 0 HA LEU A 31 3.683 -1.333 -7.578 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.218 -1.032 -10.550 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.310 -2.142 -9.543 1.00 0.33 H new ATOM 0 HG LEU A 31 2.343 0.877 -9.389 1.00 0.34 H new ATOM 0 HD11 LEU A 31 -0.064 0.608 -9.846 1.00 0.39 H new ATOM 0 HD12 LEU A 31 0.937 -0.102 -11.135 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.157 -1.156 -9.931 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.742 0.674 -7.537 1.00 0.32 H new ATOM 0 HD22 LEU A 31 0.981 -1.089 -7.530 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.332 -0.007 -7.118 1.00 0.32 H new ATOM 451 N ASP A 32 5.878 -2.679 -9.487 1.00 0.31 N ATOM 452 CA ASP A 32 6.645 -3.907 -9.722 1.00 0.37 C ATOM 453 C ASP A 32 7.698 -4.122 -8.633 1.00 0.37 C ATOM 454 O ASP A 32 8.177 -5.239 -8.426 1.00 0.45 O ATOM 455 CB ASP A 32 7.325 -3.859 -11.099 1.00 0.48 C ATOM 456 CG ASP A 32 8.130 -5.110 -11.412 1.00 1.29 C ATOM 457 OD1 ASP A 32 7.528 -6.152 -11.787 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.377 -5.082 -11.278 1.00 1.83 O ATOM 0 H ASP A 32 6.294 -1.840 -9.892 1.00 0.31 H new ATOM 0 HA ASP A 32 5.947 -4.743 -9.694 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.565 -3.722 -11.868 1.00 0.48 H new ATOM 0 HB3 ASP A 32 7.983 -2.991 -11.142 1.00 0.48 H new ATOM 463 N LEU A 33 7.998 -3.079 -7.897 1.00 0.35 N ATOM 464 CA LEU A 33 9.031 -3.142 -6.883 1.00 0.37 C ATOM 465 C LEU A 33 8.506 -3.842 -5.670 1.00 0.34 C ATOM 466 O LEU A 33 7.628 -3.348 -4.984 1.00 0.40 O ATOM 467 CB LEU A 33 9.553 -1.749 -6.526 1.00 0.41 C ATOM 468 CG LEU A 33 10.208 -0.984 -7.671 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.740 0.355 -7.189 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.316 -1.815 -8.289 1.00 1.27 C ATOM 0 H LEU A 33 7.541 -2.171 -7.980 1.00 0.35 H new ATOM 0 HA LEU A 33 9.872 -3.708 -7.284 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.723 -1.156 -6.143 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.276 -1.847 -5.716 1.00 0.41 H new ATOM 0 HG LEU A 33 9.455 -0.789 -8.435 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.203 0.884 -8.022 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.918 0.951 -6.792 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.481 0.192 -6.406 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.776 -1.258 -9.105 1.00 1.27 H new ATOM 0 HD22 LEU A 33 12.068 -2.038 -7.533 1.00 1.27 H new ATOM 0 HD23 LEU A 33 10.901 -2.746 -8.674 1.00 1.27 H new ATOM 482 N ARG A 34 9.075 -4.968 -5.396 1.00 0.33 N ATOM 483 CA ARG A 34 8.603 -5.844 -4.364 1.00 0.34 C ATOM 484 C ARG A 34 8.925 -5.261 -3.007 1.00 0.29 C ATOM 485 O ARG A 34 10.011 -4.709 -2.807 1.00 0.34 O ATOM 486 CB ARG A 34 9.290 -7.185 -4.511 1.00 0.47 C ATOM 487 CG ARG A 34 9.093 -7.846 -5.871 1.00 0.61 C ATOM 488 CD ARG A 34 9.881 -9.130 -5.947 1.00 1.10 C ATOM 489 NE ARG A 34 9.518 -10.009 -4.847 1.00 1.91 N ATOM 490 CZ ARG A 34 10.367 -10.568 -3.996 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.678 -10.492 -4.201 1.00 3.63 N ATOM 492 NH2 ARG A 34 9.898 -11.210 -2.943 1.00 3.94 N ATOM 0 H ARG A 34 9.897 -5.316 -5.890 1.00 0.33 H new ATOM 0 HA ARG A 34 7.523 -5.964 -4.452 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.358 -7.054 -4.335 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.919 -7.857 -3.737 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.035 -8.050 -6.034 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.412 -7.168 -6.662 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.689 -9.627 -6.898 1.00 1.10 H new ATOM 0 HD3 ARG A 34 10.948 -8.913 -5.911 1.00 1.10 H new ATOM 0 HE ARG A 34 8.527 -10.213 -4.719 1.00 1.91 H new ATOM 0 HH11 ARG A 34 12.039 -10.000 -5.019 1.00 3.63 H new ATOM 0 HH12 ARG A 34 12.323 -10.925 -3.541 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.891 -11.272 -2.790 1.00 3.94 H new ATOM 0 HH22 ARG A 34 10.542 -11.644 -2.282 1.00 3.94 H new ATOM 506 N PHE A 35 7.998 -5.405 -2.064 1.00 0.25 N ATOM 507 CA PHE A 35 8.175 -4.829 -0.730 1.00 0.24 C ATOM 508 C PHE A 35 9.414 -5.418 -0.060 1.00 0.27 C ATOM 509 O PHE A 35 10.177 -4.705 0.588 1.00 0.29 O ATOM 510 CB PHE A 35 6.955 -5.055 0.161 1.00 0.26 C ATOM 511 CG PHE A 35 5.640 -4.699 -0.454 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.255 -3.378 -0.609 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.776 -5.692 -0.850 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.026 -3.069 -1.155 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.555 -5.391 -1.395 1.00 0.32 C ATOM 516 CZ PHE A 35 3.177 -4.088 -1.547 1.00 0.35 C ATOM 0 H PHE A 35 7.122 -5.911 -2.195 1.00 0.25 H new ATOM 0 HA PHE A 35 8.300 -3.754 -0.858 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.928 -6.105 0.453 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.080 -4.473 1.074 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.920 -2.585 -0.301 1.00 0.32 H new ATOM 0 HD2 PHE A 35 5.064 -6.726 -0.730 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.729 -2.038 -1.276 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.892 -6.185 -1.704 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.213 -3.853 -1.974 1.00 0.35 H new ATOM 526 N GLU A 36 9.614 -6.715 -0.261 1.00 0.37 N ATOM 527 CA GLU A 36 10.773 -7.444 0.257 1.00 0.47 C ATOM 528 C GLU A 36 12.095 -6.805 -0.226 1.00 0.46 C ATOM 529 O GLU A 36 13.086 -6.772 0.501 1.00 0.51 O ATOM 530 CB GLU A 36 10.675 -8.923 -0.161 1.00 0.64 C ATOM 531 CG GLU A 36 11.792 -9.823 0.357 1.00 1.56 C ATOM 532 CD GLU A 36 11.571 -11.272 -0.009 1.00 2.12 C ATOM 533 OE1 GLU A 36 11.851 -11.662 -1.152 1.00 2.79 O ATOM 534 OE2 GLU A 36 11.080 -12.046 0.834 1.00 2.45 O ATOM 0 H GLU A 36 8.970 -7.300 -0.794 1.00 0.37 H new ATOM 0 HA GLU A 36 10.773 -7.387 1.346 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.721 -9.319 0.187 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.664 -8.976 -1.250 1.00 0.64 H new ATOM 0 HG2 GLU A 36 12.746 -9.488 -0.051 1.00 1.56 H new ATOM 0 HG3 GLU A 36 11.859 -9.730 1.441 1.00 1.56 H new ATOM 541 N ASP A 37 12.063 -6.233 -1.418 1.00 0.44 N ATOM 542 CA ASP A 37 13.244 -5.623 -2.019 1.00 0.50 C ATOM 543 C ASP A 37 13.451 -4.206 -1.495 1.00 0.48 C ATOM 544 O ASP A 37 14.577 -3.788 -1.242 1.00 0.60 O ATOM 545 CB ASP A 37 13.132 -5.620 -3.554 1.00 0.57 C ATOM 546 CG ASP A 37 14.310 -4.952 -4.240 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.395 -5.560 -4.321 1.00 0.74 O ATOM 548 OD2 ASP A 37 14.176 -3.815 -4.712 1.00 0.88 O ATOM 0 H ASP A 37 11.224 -6.177 -1.996 1.00 0.44 H new ATOM 0 HA ASP A 37 14.112 -6.219 -1.738 1.00 0.50 H new ATOM 0 HB2 ASP A 37 13.050 -6.648 -3.907 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.214 -5.109 -3.844 1.00 0.57 H new ATOM 553 N ILE A 38 12.361 -3.504 -1.228 1.00 0.40 N ATOM 554 CA ILE A 38 12.453 -2.111 -0.779 1.00 0.42 C ATOM 555 C ILE A 38 12.519 -1.989 0.755 1.00 0.42 C ATOM 556 O ILE A 38 12.484 -0.885 1.314 1.00 0.50 O ATOM 557 CB ILE A 38 11.316 -1.212 -1.350 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.933 -1.728 -0.902 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.407 -1.157 -2.872 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.756 -0.899 -1.387 1.00 0.60 C ATOM 0 H ILE A 38 11.410 -3.864 -1.311 1.00 0.40 H new ATOM 0 HA ILE A 38 13.395 -1.742 -1.185 1.00 0.42 H new ATOM 0 HB ILE A 38 11.439 -0.203 -0.957 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.810 -2.751 -1.258 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.910 -1.764 0.187 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.608 -0.526 -3.262 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.372 -0.742 -3.164 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.306 -2.163 -3.279 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.827 -1.338 -1.023 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.848 0.119 -1.010 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.747 -0.883 -2.477 1.00 0.60 H new ATOM 572 N GLY A 39 12.685 -3.123 1.412 1.00 0.42 N ATOM 573 CA GLY A 39 12.875 -3.140 2.848 1.00 0.50 C ATOM 574 C GLY A 39 11.589 -3.087 3.651 1.00 0.47 C ATOM 575 O GLY A 39 11.576 -2.567 4.759 1.00 0.66 O ATOM 0 H GLY A 39 12.692 -4.043 0.972 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.421 -4.043 3.119 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.500 -2.293 3.130 1.00 0.50 H new ATOM 579 N TYR A 40 10.526 -3.614 3.111 1.00 0.36 N ATOM 580 CA TYR A 40 9.248 -3.639 3.802 1.00 0.36 C ATOM 581 C TYR A 40 8.860 -5.043 4.182 1.00 0.42 C ATOM 582 O TYR A 40 8.750 -5.914 3.320 1.00 0.59 O ATOM 583 CB TYR A 40 8.138 -3.044 2.934 1.00 0.36 C ATOM 584 CG TYR A 40 8.024 -1.544 2.963 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.073 -0.720 2.579 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.845 -0.955 3.382 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.944 0.653 2.615 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.700 0.406 3.422 1.00 0.90 C ATOM 589 CZ TYR A 40 7.757 1.214 3.035 1.00 1.04 C ATOM 590 OH TYR A 40 7.628 2.581 3.068 1.00 1.33 O ATOM 0 H TYR A 40 10.511 -4.039 2.184 1.00 0.36 H new ATOM 0 HA TYR A 40 9.367 -3.038 4.704 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.300 -3.358 1.903 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.186 -3.469 3.251 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.002 -1.160 2.248 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.020 -1.583 3.685 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.768 1.284 2.316 1.00 0.95 H new ATOM 0 HE2 TYR A 40 5.770 0.846 3.752 1.00 0.90 H new ATOM 0 HH TYR A 40 6.911 2.827 3.689 1.00 1.33 H new ATOM 600 N ASP A 41 8.664 -5.272 5.459 1.00 0.42 N ATOM 601 CA ASP A 41 8.148 -6.551 5.929 1.00 0.51 C ATOM 602 C ASP A 41 6.662 -6.487 5.830 1.00 0.44 C ATOM 603 O ASP A 41 6.087 -5.392 5.907 1.00 0.38 O ATOM 604 CB ASP A 41 8.464 -6.831 7.404 1.00 0.67 C ATOM 605 CG ASP A 41 9.925 -6.930 7.749 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.482 -8.038 7.700 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.535 -5.908 8.144 1.00 0.99 O ATOM 0 H ASP A 41 8.852 -4.594 6.197 1.00 0.42 H new ATOM 0 HA ASP A 41 8.610 -7.331 5.324 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.019 -6.041 8.009 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.978 -7.763 7.690 1.00 0.67 H new ATOM 612 N SER A 42 6.033 -7.620 5.662 1.00 0.51 N ATOM 613 CA SER A 42 4.587 -7.702 5.627 1.00 0.48 C ATOM 614 C SER A 42 3.917 -7.072 6.873 1.00 0.41 C ATOM 615 O SER A 42 2.830 -6.525 6.790 1.00 0.37 O ATOM 616 CB SER A 42 4.149 -9.133 5.357 1.00 0.59 C ATOM 617 OG SER A 42 4.824 -10.061 6.198 1.00 1.03 O ATOM 0 H SER A 42 6.505 -8.517 5.545 1.00 0.51 H new ATOM 0 HA SER A 42 4.233 -7.092 4.796 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.073 -9.219 5.511 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.342 -9.381 4.313 1.00 0.59 H new ATOM 0 HG SER A 42 4.516 -10.969 5.997 1.00 1.03 H new ATOM 623 N LEU A 43 4.606 -7.123 8.007 1.00 0.45 N ATOM 624 CA LEU A 43 4.128 -6.534 9.247 1.00 0.46 C ATOM 625 C LEU A 43 4.055 -5.010 9.083 1.00 0.41 C ATOM 626 O LEU A 43 3.011 -4.407 9.316 1.00 0.41 O ATOM 627 CB LEU A 43 5.077 -6.951 10.396 1.00 0.59 C ATOM 628 CG LEU A 43 4.622 -6.721 11.853 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.536 -7.491 12.776 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.652 -5.246 12.241 1.00 1.24 C ATOM 0 H LEU A 43 5.516 -7.577 8.090 1.00 0.45 H new ATOM 0 HA LEU A 43 3.127 -6.890 9.490 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.290 -8.014 10.280 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.019 -6.420 10.256 1.00 0.59 H new ATOM 0 HG LEU A 43 3.592 -7.066 11.941 1.00 0.75 H new ATOM 0 HD11 LEU A 43 5.224 -7.336 13.809 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.484 -8.553 12.537 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.560 -7.140 12.650 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.324 -5.135 13.274 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.668 -4.864 12.140 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.986 -4.684 11.586 1.00 1.24 H new ATOM 642 N ALA A 44 5.158 -4.402 8.642 1.00 0.39 N ATOM 643 CA ALA A 44 5.204 -2.957 8.401 1.00 0.39 C ATOM 644 C ALA A 44 4.227 -2.575 7.292 1.00 0.34 C ATOM 645 O ALA A 44 3.634 -1.504 7.306 1.00 0.40 O ATOM 646 CB ALA A 44 6.611 -2.517 8.047 1.00 0.43 C ATOM 0 H ALA A 44 6.033 -4.888 8.444 1.00 0.39 H new ATOM 0 HA ALA A 44 4.909 -2.444 9.316 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.623 -1.441 7.872 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.285 -2.758 8.869 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.938 -3.035 7.145 1.00 0.43 H new ATOM 652 N LEU A 45 4.062 -3.475 6.348 1.00 0.29 N ATOM 653 CA LEU A 45 3.121 -3.317 5.255 1.00 0.28 C ATOM 654 C LEU A 45 1.690 -3.259 5.794 1.00 0.25 C ATOM 655 O LEU A 45 0.901 -2.402 5.406 1.00 0.26 O ATOM 656 CB LEU A 45 3.282 -4.484 4.305 1.00 0.30 C ATOM 657 CG LEU A 45 2.420 -4.497 3.056 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.620 -3.233 2.242 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.778 -5.699 2.231 1.00 0.38 C ATOM 0 H LEU A 45 4.584 -4.351 6.315 1.00 0.29 H new ATOM 0 HA LEU A 45 3.320 -2.385 4.726 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.326 -4.522 3.993 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.082 -5.400 4.861 1.00 0.30 H new ATOM 0 HG LEU A 45 1.371 -4.543 3.350 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.990 -3.269 1.353 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.348 -2.366 2.844 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.665 -3.154 1.943 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.164 -5.718 1.331 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.830 -5.648 1.952 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.600 -6.605 2.811 1.00 0.38 H new ATOM 671 N MET A 46 1.362 -4.173 6.683 1.00 0.24 N ATOM 672 CA MET A 46 0.051 -4.171 7.345 1.00 0.23 C ATOM 673 C MET A 46 -0.130 -2.924 8.201 1.00 0.25 C ATOM 674 O MET A 46 -1.226 -2.416 8.325 1.00 0.27 O ATOM 675 CB MET A 46 -0.201 -5.436 8.166 1.00 0.27 C ATOM 676 CG MET A 46 -0.225 -6.709 7.335 1.00 0.34 C ATOM 677 SD MET A 46 -0.548 -8.197 8.304 1.00 0.50 S ATOM 678 CE MET A 46 0.878 -8.214 9.390 1.00 1.49 C ATOM 0 H MET A 46 1.978 -4.933 6.972 1.00 0.24 H new ATOM 0 HA MET A 46 -0.695 -4.159 6.551 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.574 -5.524 8.928 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.152 -5.336 8.689 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.989 -6.615 6.563 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.732 -6.818 6.825 1.00 0.34 H new ATOM 0 HE1 MET A 46 0.803 -9.058 10.075 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.787 -8.308 8.796 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.912 -7.286 9.960 1.00 1.49 H new ATOM 688 N GLU A 47 0.959 -2.445 8.793 1.00 0.29 N ATOM 689 CA GLU A 47 0.966 -1.182 9.549 1.00 0.34 C ATOM 690 C GLU A 47 0.627 -0.020 8.591 1.00 0.32 C ATOM 691 O GLU A 47 -0.043 0.941 8.949 1.00 0.36 O ATOM 692 CB GLU A 47 2.367 -0.998 10.185 1.00 0.45 C ATOM 693 CG GLU A 47 2.632 0.324 10.900 1.00 0.58 C ATOM 694 CD GLU A 47 1.733 0.582 12.083 1.00 1.03 C ATOM 695 OE1 GLU A 47 1.986 0.034 13.169 1.00 1.25 O ATOM 696 OE2 GLU A 47 0.768 1.361 11.965 1.00 1.88 O ATOM 0 H GLU A 47 1.864 -2.915 8.767 1.00 0.29 H new ATOM 0 HA GLU A 47 0.220 -1.197 10.343 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.525 -1.807 10.898 1.00 0.45 H new ATOM 0 HB3 GLU A 47 3.114 -1.115 9.400 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.669 0.340 11.236 1.00 0.58 H new ATOM 0 HG3 GLU A 47 2.516 1.139 10.186 1.00 0.58 H new ATOM 703 N THR A 48 1.062 -0.173 7.373 1.00 0.30 N ATOM 704 CA THR A 48 0.848 0.788 6.325 1.00 0.33 C ATOM 705 C THR A 48 -0.620 0.801 5.967 1.00 0.29 C ATOM 706 O THR A 48 -1.314 1.797 6.161 1.00 0.33 O ATOM 707 CB THR A 48 1.705 0.424 5.086 1.00 0.36 C ATOM 708 OG1 THR A 48 3.100 0.381 5.452 1.00 0.42 O ATOM 709 CG2 THR A 48 1.505 1.433 3.967 1.00 0.45 C ATOM 0 H THR A 48 1.590 -0.992 7.072 1.00 0.30 H new ATOM 0 HA THR A 48 1.147 1.779 6.666 1.00 0.33 H new ATOM 0 HB THR A 48 1.387 -0.555 4.729 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.243 -0.327 6.115 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.118 1.153 3.111 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.456 1.447 3.673 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.798 2.424 4.314 1.00 0.45 H new ATOM 717 N ALA A 49 -1.087 -0.339 5.495 1.00 0.25 N ATOM 718 CA ALA A 49 -2.463 -0.546 5.085 1.00 0.24 C ATOM 719 C ALA A 49 -3.444 -0.231 6.222 1.00 0.22 C ATOM 720 O ALA A 49 -4.592 0.130 5.971 1.00 0.23 O ATOM 721 CB ALA A 49 -2.624 -1.970 4.591 1.00 0.27 C ATOM 0 H ALA A 49 -0.504 -1.169 5.383 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.699 0.142 4.273 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.656 -2.133 4.281 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -1.960 -2.138 3.743 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.372 -2.664 5.393 1.00 0.27 H new ATOM 727 N ALA A 50 -2.963 -0.343 7.464 1.00 0.23 N ATOM 728 CA ALA A 50 -3.730 -0.025 8.640 1.00 0.26 C ATOM 729 C ALA A 50 -4.216 1.403 8.589 1.00 0.28 C ATOM 730 O ALA A 50 -5.375 1.696 8.893 1.00 0.30 O ATOM 731 CB ALA A 50 -2.918 -0.230 9.897 1.00 0.33 C ATOM 0 H ALA A 50 -2.016 -0.663 7.668 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.586 -0.699 8.661 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.525 0.019 10.767 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.602 -1.271 9.960 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.039 0.415 9.872 1.00 0.33 H new ATOM 737 N ARG A 51 -3.317 2.289 8.184 1.00 0.31 N ATOM 738 CA ARG A 51 -3.615 3.695 8.066 1.00 0.37 C ATOM 739 C ARG A 51 -4.624 3.937 6.976 1.00 0.36 C ATOM 740 O ARG A 51 -5.486 4.784 7.114 1.00 0.40 O ATOM 741 CB ARG A 51 -2.364 4.522 7.823 1.00 0.45 C ATOM 742 CG ARG A 51 -1.403 4.528 8.986 1.00 0.54 C ATOM 743 CD ARG A 51 -0.268 5.501 8.758 1.00 0.70 C ATOM 744 NE ARG A 51 -0.725 6.901 8.702 1.00 1.59 N ATOM 745 CZ ARG A 51 0.057 7.957 8.903 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.240 7.808 9.497 1.00 1.27 N ATOM 747 NH2 ARG A 51 -0.397 9.169 8.627 1.00 2.84 N ATOM 0 H ARG A 51 -2.360 2.045 7.929 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.041 4.015 9.017 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.851 4.137 6.942 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.656 5.548 7.599 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.936 4.795 9.899 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.001 3.526 9.133 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.464 5.393 9.558 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.239 5.250 7.826 1.00 0.70 H new ATOM 0 HE ARG A 51 -1.709 7.071 8.495 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.547 6.883 9.798 1.00 1.27 H new ATOM 0 HH12 ARG A 51 1.839 8.619 9.651 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -1.342 9.289 8.262 1.00 2.84 H new ATOM 0 HH22 ARG A 51 0.198 9.983 8.779 1.00 2.84 H new ATOM 761 N LEU A 52 -4.522 3.182 5.890 1.00 0.32 N ATOM 762 CA LEU A 52 -5.455 3.270 4.805 1.00 0.34 C ATOM 763 C LEU A 52 -6.848 2.884 5.271 1.00 0.33 C ATOM 764 O LEU A 52 -7.829 3.568 4.941 1.00 0.37 O ATOM 765 CB LEU A 52 -4.992 2.376 3.663 1.00 0.35 C ATOM 766 CG LEU A 52 -3.816 2.873 2.818 1.00 0.43 C ATOM 767 CD1 LEU A 52 -4.138 4.191 2.146 1.00 0.90 C ATOM 768 CD2 LEU A 52 -2.517 2.978 3.591 1.00 0.69 C ATOM 0 H LEU A 52 -3.783 2.493 5.749 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.498 4.299 4.448 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.721 1.406 4.081 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.840 2.211 2.998 1.00 0.35 H new ATOM 0 HG LEU A 52 -3.663 2.112 2.053 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -3.282 4.516 1.554 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -5.003 4.066 1.495 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -4.360 4.941 2.905 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -1.728 3.336 2.930 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -2.642 3.676 4.419 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -2.246 1.997 3.982 1.00 0.69 H new ATOM 780 N GLU A 53 -6.927 1.809 6.052 1.00 0.29 N ATOM 781 CA GLU A 53 -8.178 1.381 6.647 1.00 0.32 C ATOM 782 C GLU A 53 -8.769 2.487 7.505 1.00 0.35 C ATOM 783 O GLU A 53 -9.950 2.813 7.375 1.00 0.42 O ATOM 784 CB GLU A 53 -8.014 0.098 7.462 1.00 0.32 C ATOM 785 CG GLU A 53 -7.659 -1.111 6.626 1.00 0.34 C ATOM 786 CD GLU A 53 -7.634 -2.385 7.426 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.709 -2.960 7.689 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.551 -2.847 7.799 1.00 0.46 O ATOM 0 H GLU A 53 -6.129 1.218 6.285 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.867 1.163 5.831 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.238 0.251 8.212 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.941 -0.102 7.999 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.380 -1.211 5.815 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.682 -0.956 6.167 1.00 0.34 H new ATOM 795 N SER A 54 -7.946 3.073 8.360 1.00 0.35 N ATOM 796 CA SER A 54 -8.381 4.173 9.221 1.00 0.41 C ATOM 797 C SER A 54 -8.807 5.430 8.404 1.00 0.45 C ATOM 798 O SER A 54 -9.943 5.916 8.518 1.00 0.55 O ATOM 799 CB SER A 54 -7.255 4.525 10.199 1.00 0.47 C ATOM 800 OG SER A 54 -6.875 3.382 10.965 1.00 1.19 O ATOM 0 H SER A 54 -6.969 2.807 8.480 1.00 0.35 H new ATOM 0 HA SER A 54 -9.262 3.843 9.772 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.393 4.903 9.648 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.582 5.323 10.866 1.00 0.47 H new ATOM 0 HG SER A 54 -6.379 2.757 10.396 1.00 1.19 H new ATOM 806 N ARG A 55 -7.913 5.889 7.539 1.00 0.44 N ATOM 807 CA ARG A 55 -8.080 7.126 6.766 1.00 0.54 C ATOM 808 C ARG A 55 -9.286 7.081 5.819 1.00 0.56 C ATOM 809 O ARG A 55 -9.991 8.083 5.649 1.00 0.68 O ATOM 810 CB ARG A 55 -6.773 7.430 5.987 1.00 0.63 C ATOM 811 CG ARG A 55 -6.822 8.638 5.054 1.00 0.83 C ATOM 812 CD ARG A 55 -5.466 8.889 4.385 1.00 1.08 C ATOM 813 NE ARG A 55 -4.440 9.350 5.342 1.00 1.65 N ATOM 814 CZ ARG A 55 -3.110 9.442 5.090 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.586 8.921 3.989 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.309 10.043 5.956 1.00 3.07 N ATOM 0 H ARG A 55 -7.034 5.409 7.347 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.282 7.931 7.472 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.970 7.584 6.708 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.510 6.551 5.399 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.582 8.477 4.289 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.120 9.522 5.618 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.125 7.971 3.906 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.585 9.634 3.598 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.758 9.623 6.272 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.185 8.442 3.316 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.584 8.999 3.815 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.691 10.438 6.815 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -1.310 10.111 5.764 1.00 3.07 H new ATOM 830 N TYR A 56 -9.532 5.943 5.214 1.00 0.50 N ATOM 831 CA TYR A 56 -10.625 5.841 4.258 1.00 0.57 C ATOM 832 C TYR A 56 -11.865 5.165 4.806 1.00 0.61 C ATOM 833 O TYR A 56 -12.880 5.068 4.110 1.00 0.74 O ATOM 834 CB TYR A 56 -10.152 5.233 2.935 1.00 0.62 C ATOM 835 CG TYR A 56 -9.195 6.157 2.233 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.674 7.275 1.581 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.822 5.952 2.267 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.829 8.168 0.989 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.960 6.843 1.657 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.475 7.955 1.022 1.00 0.91 C ATOM 841 OH TYR A 56 -6.635 8.886 0.456 1.00 1.01 O ATOM 0 H TYR A 56 -9.003 5.083 5.359 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.944 6.863 4.054 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.667 4.275 3.123 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -11.011 5.036 2.293 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.739 7.447 1.538 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.424 5.087 2.776 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -9.227 9.042 0.495 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.894 6.671 1.677 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.705 8.594 0.560 1.00 1.01 H new ATOM 851 N GLY A 57 -11.798 4.732 6.060 1.00 0.58 N ATOM 852 CA GLY A 57 -12.933 4.069 6.684 1.00 0.66 C ATOM 853 C GLY A 57 -13.288 2.799 5.958 1.00 0.71 C ATOM 854 O GLY A 57 -14.439 2.577 5.588 1.00 0.93 O ATOM 0 H GLY A 57 -10.977 4.828 6.658 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.699 3.843 7.724 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.792 4.740 6.689 1.00 0.66 H new ATOM 858 N VAL A 58 -12.307 1.973 5.771 1.00 0.60 N ATOM 859 CA VAL A 58 -12.452 0.773 5.007 1.00 0.65 C ATOM 860 C VAL A 58 -11.755 -0.363 5.760 1.00 0.60 C ATOM 861 O VAL A 58 -11.184 -0.124 6.824 1.00 0.70 O ATOM 862 CB VAL A 58 -11.894 0.956 3.545 1.00 0.69 C ATOM 863 CG1 VAL A 58 -10.373 1.084 3.508 1.00 1.09 C ATOM 864 CG2 VAL A 58 -12.407 -0.113 2.576 1.00 1.16 C ATOM 0 H VAL A 58 -11.370 2.115 6.149 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.507 0.526 4.893 1.00 0.65 H new ATOM 0 HB VAL A 58 -12.294 1.907 3.192 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -10.043 1.208 2.476 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -10.066 1.951 4.094 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.922 0.185 3.928 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.990 0.064 1.585 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -12.102 -1.099 2.927 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -13.495 -0.066 2.525 1.00 1.16 H new ATOM 874 N SER A 59 -11.810 -1.556 5.241 1.00 0.62 N ATOM 875 CA SER A 59 -11.220 -2.691 5.871 1.00 0.67 C ATOM 876 C SER A 59 -10.533 -3.561 4.834 1.00 0.59 C ATOM 877 O SER A 59 -11.044 -3.752 3.719 1.00 0.72 O ATOM 878 CB SER A 59 -12.302 -3.461 6.618 1.00 0.92 C ATOM 879 OG SER A 59 -13.461 -3.586 5.800 1.00 1.87 O ATOM 0 H SER A 59 -12.273 -1.765 4.357 1.00 0.62 H new ATOM 0 HA SER A 59 -10.463 -2.372 6.587 1.00 0.67 H new ATOM 0 HB2 SER A 59 -11.933 -4.449 6.894 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.554 -2.945 7.544 1.00 0.92 H new ATOM 0 HG SER A 59 -14.152 -4.083 6.285 1.00 1.87 H new ATOM 885 N ILE A 60 -9.374 -4.021 5.175 1.00 0.48 N ATOM 886 CA ILE A 60 -8.574 -4.857 4.314 1.00 0.45 C ATOM 887 C ILE A 60 -8.473 -6.242 4.938 1.00 0.51 C ATOM 888 O ILE A 60 -8.233 -6.355 6.142 1.00 0.57 O ATOM 889 CB ILE A 60 -7.148 -4.245 4.132 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.252 -2.860 3.473 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.232 -5.166 3.314 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.936 -2.129 3.375 1.00 0.41 C ATOM 0 H ILE A 60 -8.940 -3.827 6.077 1.00 0.48 H new ATOM 0 HA ILE A 60 -9.042 -4.925 3.332 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.700 -4.139 5.120 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.668 -2.975 2.472 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.954 -2.250 4.041 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.250 -4.704 3.210 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -6.130 -6.124 3.824 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.664 -5.325 2.326 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.092 -1.161 2.899 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.527 -1.980 4.374 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.237 -2.717 2.781 1.00 0.41 H new ATOM 904 N PRO A 61 -8.695 -7.310 4.153 1.00 0.58 N ATOM 905 CA PRO A 61 -8.570 -8.675 4.646 1.00 0.66 C ATOM 906 C PRO A 61 -7.143 -8.961 5.111 1.00 0.56 C ATOM 907 O PRO A 61 -6.176 -8.805 4.331 1.00 0.44 O ATOM 908 CB PRO A 61 -8.913 -9.545 3.427 1.00 0.78 C ATOM 909 CG PRO A 61 -9.657 -8.643 2.507 1.00 0.87 C ATOM 910 CD PRO A 61 -9.102 -7.272 2.737 1.00 0.66 C ATOM 0 HA PRO A 61 -9.217 -8.865 5.503 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -8.012 -9.935 2.954 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.520 -10.404 3.713 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.525 -8.949 1.469 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.727 -8.671 2.714 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.257 -7.063 2.080 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.848 -6.499 2.552 1.00 0.66 H new ATOM 918 N ASP A 62 -7.021 -9.373 6.373 1.00 0.67 N ATOM 919 CA ASP A 62 -5.726 -9.691 7.029 1.00 0.67 C ATOM 920 C ASP A 62 -4.937 -10.692 6.215 1.00 0.54 C ATOM 921 O ASP A 62 -3.702 -10.653 6.174 1.00 0.52 O ATOM 922 CB ASP A 62 -5.925 -10.279 8.437 1.00 0.90 C ATOM 923 CG ASP A 62 -6.584 -9.341 9.418 1.00 1.18 C ATOM 924 OD1 ASP A 62 -5.886 -8.516 10.030 1.00 1.83 O ATOM 925 OD2 ASP A 62 -7.810 -9.440 9.617 1.00 1.29 O ATOM 0 H ASP A 62 -7.824 -9.501 6.989 1.00 0.67 H new ATOM 0 HA ASP A 62 -5.182 -8.749 7.102 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -6.528 -11.184 8.358 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.954 -10.576 8.834 1.00 0.90 H new ATOM 930 N ASP A 63 -5.666 -11.553 5.541 1.00 0.56 N ATOM 931 CA ASP A 63 -5.105 -12.604 4.716 1.00 0.55 C ATOM 932 C ASP A 63 -4.358 -12.025 3.530 1.00 0.44 C ATOM 933 O ASP A 63 -3.204 -12.348 3.299 1.00 0.46 O ATOM 934 CB ASP A 63 -6.239 -13.492 4.208 1.00 0.75 C ATOM 935 CG ASP A 63 -5.782 -14.568 3.261 1.00 1.54 C ATOM 936 OD1 ASP A 63 -5.412 -15.671 3.726 1.00 1.84 O ATOM 937 OD2 ASP A 63 -5.817 -14.351 2.037 1.00 2.34 O ATOM 0 H ASP A 63 -6.686 -11.544 5.550 1.00 0.56 H new ATOM 0 HA ASP A 63 -4.403 -13.183 5.317 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -6.736 -13.956 5.060 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -6.981 -12.870 3.707 1.00 0.75 H new ATOM 942 N VAL A 64 -4.992 -11.112 2.829 1.00 0.41 N ATOM 943 CA VAL A 64 -4.409 -10.548 1.621 1.00 0.40 C ATOM 944 C VAL A 64 -3.268 -9.607 1.989 1.00 0.34 C ATOM 945 O VAL A 64 -2.254 -9.544 1.299 1.00 0.41 O ATOM 946 CB VAL A 64 -5.462 -9.781 0.775 1.00 0.52 C ATOM 947 CG1 VAL A 64 -4.861 -9.297 -0.538 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.678 -10.651 0.510 1.00 0.66 C ATOM 0 H VAL A 64 -5.911 -10.741 3.070 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.032 -11.375 1.019 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.778 -8.909 1.348 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -5.620 -8.763 -1.111 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.025 -8.628 -0.331 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.507 -10.152 -1.113 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.402 -10.093 -0.084 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.374 -11.545 -0.034 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.132 -10.940 1.458 1.00 0.66 H new ATOM 958 N ALA A 65 -3.421 -8.935 3.117 1.00 0.33 N ATOM 959 CA ALA A 65 -2.434 -7.978 3.613 1.00 0.39 C ATOM 960 C ALA A 65 -1.035 -8.606 3.821 1.00 0.41 C ATOM 961 O ALA A 65 -0.028 -7.909 3.792 1.00 0.51 O ATOM 962 CB ALA A 65 -2.938 -7.328 4.892 1.00 0.46 C ATOM 0 H ALA A 65 -4.236 -9.035 3.721 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.310 -7.214 2.845 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.197 -6.616 5.255 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.874 -6.806 4.691 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -3.106 -8.095 5.648 1.00 0.46 H new ATOM 968 N GLY A 66 -0.990 -9.915 4.026 1.00 0.40 N ATOM 969 CA GLY A 66 0.280 -10.587 4.210 1.00 0.48 C ATOM 970 C GLY A 66 0.668 -11.432 3.005 1.00 0.48 C ATOM 971 O GLY A 66 1.701 -12.116 3.016 1.00 0.61 O ATOM 0 H GLY A 66 -1.808 -10.522 4.068 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.057 -9.845 4.396 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.227 -11.222 5.094 1.00 0.48 H new ATOM 975 N ARG A 67 -0.148 -11.392 1.969 1.00 0.43 N ATOM 976 CA ARG A 67 0.094 -12.189 0.763 1.00 0.48 C ATOM 977 C ARG A 67 0.540 -11.330 -0.420 1.00 0.36 C ATOM 978 O ARG A 67 0.940 -11.853 -1.462 1.00 0.40 O ATOM 979 CB ARG A 67 -1.151 -13.005 0.396 1.00 0.64 C ATOM 980 CG ARG A 67 -1.467 -14.122 1.381 1.00 1.16 C ATOM 981 CD ARG A 67 -2.822 -14.756 1.101 1.00 1.45 C ATOM 982 NE ARG A 67 -2.924 -15.332 -0.244 1.00 2.16 N ATOM 983 CZ ARG A 67 -4.068 -15.570 -0.899 1.00 3.05 C ATOM 984 NH1 ARG A 67 -5.249 -15.257 -0.358 1.00 3.43 N ATOM 985 NH2 ARG A 67 -4.029 -16.113 -2.096 1.00 3.98 N ATOM 0 H ARG A 67 -0.989 -10.817 1.930 1.00 0.43 H new ATOM 0 HA ARG A 67 0.912 -12.873 0.990 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -2.008 -12.334 0.335 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.012 -13.436 -0.595 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.691 -14.885 1.327 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -1.454 -13.726 2.396 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -3.010 -15.536 1.838 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -3.601 -14.004 1.227 1.00 1.45 H new ATOM 0 HE ARG A 67 -2.053 -15.571 -0.719 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -5.289 -14.830 0.567 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -6.111 -15.445 -0.871 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -3.132 -16.350 -2.520 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -4.896 -16.297 -2.601 1.00 3.98 H new ATOM 999 N VAL A 68 0.459 -10.031 -0.269 1.00 0.33 N ATOM 1000 CA VAL A 68 0.852 -9.114 -1.328 1.00 0.34 C ATOM 1001 C VAL A 68 2.380 -8.942 -1.385 1.00 0.35 C ATOM 1002 O VAL A 68 3.003 -8.432 -0.457 1.00 0.44 O ATOM 1003 CB VAL A 68 0.119 -7.743 -1.204 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.352 -7.913 -1.541 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.250 -7.161 0.198 1.00 0.41 C ATOM 0 H VAL A 68 0.123 -9.576 0.580 1.00 0.33 H new ATOM 0 HA VAL A 68 0.541 -9.557 -2.274 1.00 0.34 H new ATOM 0 HB VAL A 68 0.587 -7.052 -1.906 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.859 -6.952 -1.453 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.451 -8.283 -2.561 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.803 -8.626 -0.851 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.273 -6.206 0.246 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.187 -7.851 0.920 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.304 -7.010 0.432 1.00 0.41 H new ATOM 1015 N ASP A 69 2.972 -9.450 -2.446 1.00 0.36 N ATOM 1016 CA ASP A 69 4.427 -9.380 -2.638 1.00 0.40 C ATOM 1017 C ASP A 69 4.790 -8.145 -3.419 1.00 0.32 C ATOM 1018 O ASP A 69 5.858 -7.536 -3.214 1.00 0.32 O ATOM 1019 CB ASP A 69 4.926 -10.637 -3.363 1.00 0.57 C ATOM 1020 CG ASP A 69 6.436 -10.715 -3.534 1.00 1.13 C ATOM 1021 OD1 ASP A 69 7.149 -11.048 -2.549 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.938 -10.511 -4.655 1.00 1.91 O ATOM 0 H ASP A 69 2.473 -9.922 -3.201 1.00 0.36 H new ATOM 0 HA ASP A 69 4.908 -9.327 -1.661 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.591 -11.515 -2.811 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.460 -10.681 -4.347 1.00 0.57 H new ATOM 1027 N THR A 70 3.902 -7.756 -4.293 1.00 0.32 N ATOM 1028 CA THR A 70 4.114 -6.607 -5.114 1.00 0.31 C ATOM 1029 C THR A 70 2.999 -5.570 -4.909 1.00 0.27 C ATOM 1030 O THR A 70 1.838 -5.932 -4.643 1.00 0.29 O ATOM 1031 CB THR A 70 4.243 -7.017 -6.596 1.00 0.41 C ATOM 1032 OG1 THR A 70 3.106 -7.794 -6.996 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.501 -7.834 -6.802 1.00 0.47 C ATOM 0 H THR A 70 3.013 -8.230 -4.452 1.00 0.32 H new ATOM 0 HA THR A 70 5.052 -6.138 -4.815 1.00 0.31 H new ATOM 0 HB THR A 70 4.294 -6.112 -7.201 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.918 -8.473 -6.315 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.583 -8.118 -7.851 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.370 -7.241 -6.518 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.457 -8.732 -6.185 1.00 0.47 H new ATOM 1041 N PRO A 71 3.343 -4.267 -4.984 1.00 0.25 N ATOM 1042 CA PRO A 71 2.401 -3.158 -4.785 1.00 0.24 C ATOM 1043 C PRO A 71 1.205 -3.221 -5.704 1.00 0.21 C ATOM 1044 O PRO A 71 0.129 -2.819 -5.316 1.00 0.25 O ATOM 1045 CB PRO A 71 3.235 -1.918 -5.070 1.00 0.29 C ATOM 1046 CG PRO A 71 4.615 -2.347 -4.779 1.00 0.32 C ATOM 1047 CD PRO A 71 4.696 -3.768 -5.228 1.00 0.30 C ATOM 0 HA PRO A 71 1.973 -3.178 -3.783 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.127 -1.593 -6.105 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.935 -1.081 -4.440 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.338 -1.727 -5.308 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.837 -2.259 -3.716 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.971 -3.844 -6.280 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.441 -4.328 -4.663 1.00 0.30 H new ATOM 1055 N ARG A 72 1.406 -3.708 -6.923 1.00 0.22 N ATOM 1056 CA ARG A 72 0.308 -3.898 -7.879 1.00 0.26 C ATOM 1057 C ARG A 72 -0.850 -4.701 -7.266 1.00 0.25 C ATOM 1058 O ARG A 72 -2.010 -4.293 -7.350 1.00 0.29 O ATOM 1059 CB ARG A 72 0.812 -4.531 -9.185 1.00 0.40 C ATOM 1060 CG ARG A 72 1.705 -5.743 -8.995 1.00 0.92 C ATOM 1061 CD ARG A 72 2.171 -6.331 -10.313 1.00 0.95 C ATOM 1062 NE ARG A 72 2.835 -5.346 -11.183 1.00 0.67 N ATOM 1063 CZ ARG A 72 4.056 -5.483 -11.726 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.838 -6.508 -11.400 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.490 -4.589 -12.605 1.00 1.29 N ATOM 0 H ARG A 72 2.322 -3.981 -7.279 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.087 -2.912 -8.124 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.048 -4.821 -9.789 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.360 -3.778 -9.751 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.573 -5.461 -8.399 1.00 0.92 H new ATOM 0 HG3 ARG A 72 1.165 -6.504 -8.432 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.859 -7.153 -10.114 1.00 0.95 H new ATOM 0 HD3 ARG A 72 1.314 -6.752 -10.839 1.00 0.95 H new ATOM 0 HE ARG A 72 2.325 -4.487 -11.391 1.00 0.67 H new ATOM 0 HH11 ARG A 72 4.513 -7.204 -10.729 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.763 -6.598 -11.821 1.00 1.48 H new ATOM 0 HH21 ARG A 72 3.897 -3.801 -12.866 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.417 -4.690 -13.020 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.502 -5.796 -6.586 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.476 -6.677 -5.946 1.00 0.28 C ATOM 1081 C GLU A 73 -2.200 -5.935 -4.834 1.00 0.26 C ATOM 1082 O GLU A 73 -3.427 -5.999 -4.707 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.766 -7.884 -5.343 1.00 0.34 C ATOM 1084 CG GLU A 73 0.057 -8.682 -6.326 1.00 0.44 C ATOM 1085 CD GLU A 73 0.807 -9.799 -5.655 1.00 1.22 C ATOM 1086 OE1 GLU A 73 0.259 -10.915 -5.550 1.00 1.24 O ATOM 1087 OE2 GLU A 73 1.966 -9.584 -5.219 1.00 2.13 O ATOM 0 H GLU A 73 0.465 -6.095 -6.465 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.193 -7.004 -6.699 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.116 -7.542 -4.537 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.511 -8.541 -4.894 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -0.596 -9.094 -7.095 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.763 -8.021 -6.828 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.425 -5.220 -4.048 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.928 -4.489 -2.903 1.00 0.28 C ATOM 1096 C LEU A 74 -2.821 -3.323 -3.354 1.00 0.26 C ATOM 1097 O LEU A 74 -3.931 -3.152 -2.839 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.716 -4.045 -2.014 1.00 0.31 C ATOM 1099 CG LEU A 74 -0.975 -3.262 -0.697 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.283 -1.807 -0.956 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.084 -3.916 0.123 1.00 0.90 C ATOM 0 H LEU A 74 -0.419 -5.128 -4.186 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.567 -5.126 -2.291 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.156 -4.943 -1.754 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.064 -3.431 -2.635 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.054 -3.300 -0.116 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.457 -1.298 -0.008 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.440 -1.342 -1.468 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.174 -1.729 -1.579 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.243 -3.347 1.039 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.005 -3.933 -0.459 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.796 -4.936 0.376 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.342 -2.552 -4.318 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.066 -1.409 -4.837 1.00 0.23 C ATOM 1115 C LEU A 75 -4.421 -1.828 -5.389 1.00 0.24 C ATOM 1116 O LEU A 75 -5.435 -1.287 -4.982 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.250 -0.665 -5.906 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.857 0.650 -6.411 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.986 1.653 -5.277 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.025 1.231 -7.539 1.00 0.34 C ATOM 0 H LEU A 75 -1.436 -2.705 -4.762 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.232 -0.722 -4.007 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.260 -0.455 -5.500 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.110 -1.330 -6.758 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.854 0.435 -6.796 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.419 2.578 -5.657 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.631 1.243 -4.500 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.001 1.858 -4.859 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.475 2.163 -7.880 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.014 1.426 -7.182 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -1.987 0.522 -8.366 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.428 -2.836 -6.272 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.674 -3.328 -6.901 1.00 0.25 C ATOM 1134 C ASP A 76 -6.667 -3.802 -5.845 1.00 0.27 C ATOM 1135 O ASP A 76 -7.861 -3.549 -5.954 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.385 -4.454 -7.912 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.635 -4.981 -8.629 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -6.993 -4.466 -9.714 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.255 -5.957 -8.149 1.00 0.57 O ATOM 0 H ASP A 76 -3.587 -3.331 -6.571 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.119 -2.494 -7.443 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.678 -4.088 -8.657 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.901 -5.281 -7.392 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.155 -4.447 -4.803 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.982 -4.928 -3.699 1.00 0.36 C ATOM 1146 C LEU A 77 -7.650 -3.735 -3.004 1.00 0.34 C ATOM 1147 O LEU A 77 -8.870 -3.713 -2.813 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.116 -5.773 -2.710 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.819 -6.539 -1.545 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.326 -5.619 -0.439 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.949 -7.412 -2.073 1.00 1.96 C ATOM 0 H LEU A 77 -5.161 -4.651 -4.698 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.769 -5.579 -4.079 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.566 -6.506 -3.300 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.379 -5.104 -2.265 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.056 -7.175 -1.096 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.804 -6.214 0.339 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.488 -5.068 -0.011 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.049 -4.916 -0.853 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.423 -7.935 -1.243 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.687 -6.787 -2.577 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.548 -8.140 -2.778 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.858 -2.730 -2.667 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.385 -1.551 -2.003 1.00 0.34 C ATOM 1165 C ILE A 78 -8.304 -0.773 -2.953 1.00 0.31 C ATOM 1166 O ILE A 78 -9.327 -0.254 -2.541 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.266 -0.628 -1.427 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.393 -1.422 -0.439 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.879 0.586 -0.724 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.263 -0.622 0.185 1.00 0.55 C ATOM 0 H ILE A 78 -5.853 -2.707 -2.842 1.00 0.32 H new ATOM 0 HA ILE A 78 -7.966 -1.897 -1.148 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.647 -0.274 -2.251 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.029 -1.811 0.357 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -4.969 -2.282 -0.958 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.083 1.218 -0.329 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.475 1.156 -1.436 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.515 0.250 0.095 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.700 -1.259 0.867 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.601 -0.255 -0.599 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.676 0.223 0.736 1.00 0.55 H new ATOM 1182 N ASN A 79 -7.951 -0.733 -4.231 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.787 -0.086 -5.256 1.00 0.31 C ATOM 1184 C ASN A 79 -10.131 -0.785 -5.342 1.00 0.32 C ATOM 1185 O ASN A 79 -11.162 -0.143 -5.528 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.123 -0.088 -6.657 1.00 0.34 C ATOM 1187 CG ASN A 79 -6.853 0.756 -6.788 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -5.974 0.442 -7.583 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.748 1.826 -6.028 1.00 0.52 N ATOM 0 H ASN A 79 -7.089 -1.141 -4.592 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.914 0.953 -4.951 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.883 -1.117 -6.924 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.852 0.269 -7.385 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.920 2.418 -6.092 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.495 2.063 -5.375 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.105 -2.098 -5.187 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.306 -2.895 -5.202 1.00 0.42 C ATOM 1198 C GLY A 80 -12.158 -2.652 -3.984 1.00 0.45 C ATOM 1199 O GLY A 80 -13.386 -2.638 -4.069 1.00 0.53 O ATOM 0 H GLY A 80 -9.249 -2.635 -5.048 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.882 -2.667 -6.099 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.040 -3.951 -5.254 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.516 -2.458 -2.853 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.219 -2.148 -1.622 1.00 0.52 C ATOM 1205 C ALA A 81 -12.804 -0.736 -1.696 1.00 0.51 C ATOM 1206 O ALA A 81 -13.970 -0.512 -1.375 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.284 -2.288 -0.427 1.00 0.59 C ATOM 0 H ALA A 81 -10.502 -2.509 -2.758 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.039 -2.855 -1.493 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.826 -2.052 0.489 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.911 -3.311 -0.375 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.445 -1.601 -0.539 1.00 0.59 H new ATOM 1213 N LEU A 82 -11.996 0.205 -2.176 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.400 1.598 -2.323 1.00 0.56 C ATOM 1215 C LEU A 82 -13.483 1.762 -3.385 1.00 0.59 C ATOM 1216 O LEU A 82 -14.212 2.751 -3.392 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.191 2.473 -2.658 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.115 2.609 -1.574 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -8.998 3.525 -2.045 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.712 3.121 -0.271 1.00 1.10 C ATOM 0 H LEU A 82 -11.038 0.021 -2.475 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.819 1.921 -1.370 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.720 2.073 -3.556 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.552 3.471 -2.906 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.698 1.620 -1.387 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.243 3.610 -1.263 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.543 3.111 -2.945 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.405 4.512 -2.265 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.927 3.208 0.480 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.164 4.099 -0.437 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.473 2.424 0.079 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.589 0.789 -4.268 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.608 0.770 -5.308 1.00 0.67 C ATOM 1234 C ALA A 83 -16.002 0.704 -4.701 1.00 0.72 C ATOM 1235 O ALA A 83 -16.969 1.186 -5.280 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.391 -0.409 -6.231 1.00 0.76 C ATOM 0 H ALA A 83 -12.967 -0.019 -4.287 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.525 1.693 -5.882 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.159 -0.412 -7.004 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.408 -0.331 -6.696 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.449 -1.335 -5.658 1.00 0.76 H new ATOM 1242 N GLU A 84 -16.084 0.138 -3.515 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.342 -0.028 -2.818 1.00 0.95 C ATOM 1244 C GLU A 84 -17.587 1.158 -1.885 1.00 1.08 C ATOM 1245 O GLU A 84 -18.656 1.298 -1.292 1.00 1.35 O ATOM 1246 CB GLU A 84 -17.299 -1.323 -2.017 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.974 -2.551 -2.854 1.00 1.33 C ATOM 1248 CD GLU A 84 -18.018 -2.855 -3.903 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -17.983 -2.277 -4.990 1.00 2.44 O ATOM 1250 OE2 GLU A 84 -18.884 -3.709 -3.651 1.00 2.24 O ATOM 0 H GLU A 84 -15.277 -0.221 -3.005 1.00 0.77 H new ATOM 0 HA GLU A 84 -18.156 -0.073 -3.541 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -16.555 -1.226 -1.227 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -18.263 -1.471 -1.531 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -16.011 -2.404 -3.342 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.869 -3.413 -2.195 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.604 2.033 -1.803 1.00 1.14 N ATOM 1258 CA ALA A 85 -16.652 3.196 -0.929 1.00 1.38 C ATOM 1259 C ALA A 85 -17.157 4.415 -1.700 1.00 1.73 C ATOM 1260 O ALA A 85 -16.782 5.559 -1.420 1.00 2.12 O ATOM 1261 CB ALA A 85 -15.271 3.456 -0.345 1.00 1.46 C ATOM 0 H ALA A 85 -15.742 1.959 -2.343 1.00 1.14 H new ATOM 0 HA ALA A 85 -17.345 3.003 -0.110 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -15.311 4.327 0.309 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -14.949 2.587 0.228 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -14.563 3.641 -1.153 1.00 1.46 H new ATOM 1267 N ALA A 86 -18.009 4.159 -2.655 1.00 2.21 N ATOM 1268 CA ALA A 86 -18.612 5.189 -3.447 1.00 2.74 C ATOM 1269 C ALA A 86 -20.047 5.359 -2.995 1.00 3.28 C ATOM 1270 O ALA A 86 -20.316 6.214 -2.151 1.00 3.60 O ATOM 1271 CB ALA A 86 -18.542 4.835 -4.929 1.00 3.25 C ATOM 1272 OXT ALA A 86 -20.914 4.585 -3.431 1.00 3.84 O ATOM 0 H ALA A 86 -18.306 3.216 -2.906 1.00 2.21 H new ATOM 0 HA ALA A 86 -18.074 6.127 -3.313 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -19.005 5.629 -5.515 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -17.500 4.724 -5.228 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -19.071 3.899 -5.105 1.00 3.25 H new TER 1278 ALA A 86