USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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= -0.513 (180deg=-0.513) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.2 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.47) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.899 (180deg=-0.185!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.513 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 1.47 (180deg=1.28) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.351 (180deg=0.317) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.62) USER MOD Single : A 41 GLN : amide:sc= 0.141 K(o=0.14,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -36:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.612 USER MOD Single : A 60 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.0029) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.654 -6.951 -4.898 1.00 9.67 N ATOM 2 CA MET A 1 11.489 -7.474 -3.546 1.00 10.38 C ATOM 3 C MET A 1 10.055 -7.811 -3.125 1.00 9.62 C ATOM 4 O MET A 1 9.110 -7.467 -3.834 1.00 9.62 O ATOM 5 CB MET A 1 12.092 -6.480 -2.541 1.00 13.77 C ATOM 6 CG MET A 1 11.155 -5.230 -2.326 1.00 16.29 C ATOM 7 SD MET A 1 11.901 -3.918 -1.436 1.00 17.17 S ATOM 8 CE MET A 1 10.545 -2.749 -1.447 1.00 16.11 C ATOM 0 H1 MET A 1 12.555 -6.436 -4.963 1.00 9.67 H new ATOM 0 H2 MET A 1 11.655 -7.739 -5.577 1.00 9.67 H new ATOM 0 H3 MET A 1 10.869 -6.305 -5.119 1.00 9.67 H new ATOM 0 HA MET A 1 12.013 -8.430 -3.549 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.256 -6.981 -1.587 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.067 -6.147 -2.898 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.835 -4.858 -3.299 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.258 -5.550 -1.796 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.842 -1.843 -0.919 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.287 -2.501 -2.477 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.680 -3.190 -0.952 1.00 16.11 H new ATOM 20 N GLN A 2 9.910 -8.540 -2.041 1.00 9.27 N ATOM 21 CA GLN A 2 8.592 -8.768 -1.437 1.00 9.07 C ATOM 22 C GLN A 2 8.335 -7.875 -0.239 1.00 8.72 C ATOM 23 O GLN A 2 9.310 -7.485 0.449 1.00 8.22 O ATOM 24 CB GLN A 2 8.338 -10.269 -0.858 1.00 14.46 C ATOM 25 CG GLN A 2 8.554 -11.453 -1.890 1.00 17.01 C ATOM 26 CD GLN A 2 7.800 -11.225 -3.232 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.605 -11.432 -3.428 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.497 -10.631 -4.228 1.00 19.49 N ATOM 0 H GLN A 2 10.682 -8.991 -1.550 1.00 9.27 H new ATOM 0 HA GLN A 2 7.933 -8.564 -2.281 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.002 -10.427 -0.008 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.317 -10.324 -0.479 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.619 -11.564 -2.091 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.215 -12.387 -1.442 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.492 -10.439 -4.110 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.028 -10.375 -5.097 1.00 19.49 H new ATOM 37 N ILE A 3 7.063 -7.442 -0.028 1.00 5.87 N ATOM 38 CA ILE A 3 6.589 -6.761 1.244 1.00 5.07 C ATOM 39 C ILE A 3 5.263 -7.339 1.532 1.00 4.01 C ATOM 40 O ILE A 3 4.689 -8.048 0.715 1.00 4.61 O ATOM 41 CB ILE A 3 6.573 -5.271 1.117 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.675 -4.700 -0.012 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.009 -4.693 1.215 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.520 -3.197 0.095 1.00 10.83 C ATOM 0 H ILE A 3 6.325 -7.547 -0.724 1.00 5.87 H new ATOM 0 HA ILE A 3 7.272 -6.939 2.075 1.00 5.07 H new ATOM 0 HB ILE A 3 6.037 -4.888 1.985 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.106 -4.952 -0.981 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.693 -5.170 0.033 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.972 -3.608 1.120 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.443 -4.958 2.179 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.623 -5.106 0.415 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.884 -2.838 -0.714 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.065 -2.945 1.053 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.500 -2.724 0.024 1.00 10.83 H new ATOM 56 N PHE A 4 4.738 -7.022 2.716 1.00 4.55 N ATOM 57 CA PHE A 4 3.515 -7.607 3.171 1.00 4.68 C ATOM 58 C PHE A 4 2.501 -6.471 3.377 1.00 5.30 C ATOM 59 O PHE A 4 2.853 -5.430 3.904 1.00 5.58 O ATOM 60 CB PHE A 4 3.708 -8.232 4.559 1.00 4.83 C ATOM 61 CG PHE A 4 4.618 -9.403 4.480 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.192 -10.630 3.909 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.906 -9.357 5.033 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.066 -11.759 3.842 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.736 -10.490 5.011 1.00 10.61 C ATOM 66 CZ PHE A 4 6.342 -11.674 4.418 1.00 8.90 C ATOM 0 H PHE A 4 5.157 -6.358 3.367 1.00 4.55 H new ATOM 0 HA PHE A 4 3.192 -8.353 2.445 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.119 -7.490 5.244 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.744 -8.540 4.963 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.189 -10.712 3.518 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.263 -8.441 5.480 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.747 -12.668 3.353 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.711 -10.434 5.471 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.008 -12.524 4.398 1.00 8.90 H new ATOM 76 N VAL A 5 1.193 -6.599 2.952 1.00 4.44 N ATOM 77 CA VAL A 5 0.182 -5.586 3.205 1.00 3.87 C ATOM 78 C VAL A 5 -0.895 -6.245 4.015 1.00 4.93 C ATOM 79 O VAL A 5 -1.414 -7.260 3.558 1.00 6.84 O ATOM 80 CB VAL A 5 -0.392 -4.980 1.920 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.589 -4.111 2.256 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.726 -4.046 1.401 1.00 9.13 C ATOM 0 H VAL A 5 0.847 -7.407 2.435 1.00 4.44 H new ATOM 0 HA VAL A 5 0.631 -4.749 3.739 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.695 -5.748 1.208 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.995 -3.681 1.340 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.353 -4.717 2.743 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.280 -3.309 2.927 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.400 -3.567 0.478 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.940 -3.284 2.150 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.627 -4.629 1.209 1.00 9.13 H new ATOM 92 N LYS A 6 -1.255 -5.698 5.206 1.00 6.04 N ATOM 93 CA LYS A 6 -2.323 -6.206 5.992 1.00 6.12 C ATOM 94 C LYS A 6 -3.602 -5.415 5.843 1.00 6.57 C ATOM 95 O LYS A 6 -3.588 -4.213 6.141 1.00 5.76 O ATOM 96 CB LYS A 6 -1.896 -6.320 7.463 1.00 7.45 C ATOM 97 CG LYS A 6 -0.771 -7.363 7.648 1.00 11.12 C ATOM 98 CD LYS A 6 -0.371 -7.640 9.123 1.00 14.54 C ATOM 99 CE LYS A 6 -1.350 -8.463 9.930 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.854 -8.857 11.312 1.00 20.55 N ATOM 0 H LYS A 6 -0.787 -4.890 5.617 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.550 -7.203 5.614 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.555 -5.348 7.820 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.756 -6.599 8.072 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.086 -8.301 7.190 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.111 -7.024 7.105 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.593 -8.149 9.128 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.229 -6.684 9.626 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.277 -7.899 10.038 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.590 -9.368 9.372 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.584 -9.417 11.796 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.014 -9.423 11.221 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.652 -8.000 11.866 1.00 20.55 H new ATOM 114 N THR A 7 -4.665 -6.041 5.283 1.00 7.41 N ATOM 115 CA THR A 7 -5.993 -5.476 5.054 1.00 7.48 C ATOM 116 C THR A 7 -6.827 -4.836 6.216 1.00 8.75 C ATOM 117 O THR A 7 -6.392 -4.876 7.391 1.00 8.58 O ATOM 118 CB THR A 7 -7.095 -6.408 4.369 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.574 -7.471 5.226 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.463 -7.019 3.090 1.00 9.17 C ATOM 0 H THR A 7 -4.603 -7.008 4.965 1.00 7.41 H new ATOM 0 HA THR A 7 -5.564 -4.707 4.411 1.00 7.48 H new ATOM 0 HB THR A 7 -7.964 -5.790 4.146 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.245 -8.000 4.747 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.191 -7.663 2.596 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.168 -6.218 2.412 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.586 -7.606 3.362 1.00 9.17 H new ATOM 128 N LEU A 8 -7.987 -4.242 5.902 1.00 9.84 N ATOM 129 CA LEU A 8 -8.763 -3.536 6.911 1.00 14.15 C ATOM 130 C LEU A 8 -9.155 -4.374 8.139 1.00 17.37 C ATOM 131 O LEU A 8 -9.242 -3.865 9.275 1.00 17.01 O ATOM 132 CB LEU A 8 -10.013 -2.864 6.276 1.00 16.63 C ATOM 133 CG LEU A 8 -10.946 -2.169 7.259 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.296 -0.834 7.601 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.335 -1.994 6.601 1.00 18.59 C ATOM 0 H LEU A 8 -8.398 -4.240 4.968 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.090 -2.771 7.299 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.678 -2.134 5.539 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.580 -3.623 5.737 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.098 -2.744 8.172 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.927 -0.292 8.306 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.318 -1.010 8.050 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.178 -0.244 6.692 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.008 -1.497 7.299 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.237 -1.390 5.699 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.740 -2.972 6.340 1.00 18.59 H new ATOM 147 N THR A 9 -9.378 -5.694 7.970 1.00 18.33 N ATOM 148 CA THR A 9 -9.695 -6.741 8.957 1.00 19.24 C ATOM 149 C THR A 9 -8.514 -7.690 9.190 1.00 19.48 C ATOM 150 O THR A 9 -8.649 -8.707 9.877 1.00 23.14 O ATOM 151 CB THR A 9 -10.954 -7.449 8.605 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.935 -7.914 7.255 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.178 -6.573 8.933 1.00 19.70 C ATOM 0 H THR A 9 -9.335 -6.094 7.033 1.00 18.33 H new ATOM 0 HA THR A 9 -9.871 -6.252 9.915 1.00 19.24 H new ATOM 0 HB THR A 9 -11.036 -8.344 9.222 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.776 -8.376 7.056 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.090 -7.108 8.668 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.187 -6.345 9.999 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.124 -5.645 8.364 1.00 19.70 H new ATOM 161 N GLY A 10 -7.286 -7.449 8.652 1.00 19.43 N ATOM 162 CA GLY A 10 -6.004 -8.090 9.035 1.00 18.74 C ATOM 163 C GLY A 10 -5.336 -9.003 8.134 1.00 17.62 C ATOM 164 O GLY A 10 -4.317 -9.607 8.506 1.00 19.74 O ATOM 0 H GLY A 10 -7.162 -6.768 7.903 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.300 -7.289 9.260 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.181 -8.630 9.965 1.00 18.74 H new ATOM 168 N LYS A 11 -5.798 -9.208 6.923 1.00 13.56 N ATOM 169 CA LYS A 11 -5.367 -10.311 6.065 1.00 11.91 C ATOM 170 C LYS A 11 -3.997 -9.976 5.425 1.00 10.18 C ATOM 171 O LYS A 11 -3.803 -8.839 4.865 1.00 9.10 O ATOM 172 CB LYS A 11 -6.376 -10.650 4.983 1.00 13.43 C ATOM 173 CG LYS A 11 -6.042 -11.892 4.110 1.00 16.69 C ATOM 174 CD LYS A 11 -6.976 -12.133 2.946 1.00 17.92 C ATOM 175 CE LYS A 11 -7.068 -10.998 1.918 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.836 -11.614 0.857 1.00 21.93 N ATOM 0 H LYS A 11 -6.498 -8.607 6.489 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.279 -11.192 6.701 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.345 -10.811 5.455 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.481 -9.786 4.327 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.028 -11.783 3.725 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.047 -12.776 4.748 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.658 -13.039 2.431 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.975 -12.324 3.339 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.567 -10.118 2.325 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.084 -10.677 1.576 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.378 -10.884 0.352 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.192 -12.089 0.193 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.491 -12.313 1.263 1.00 21.93 H new ATOM 190 N THR A 12 -3.026 -10.901 5.569 1.00 9.63 N ATOM 191 CA THR A 12 -1.668 -10.636 5.065 1.00 9.85 C ATOM 192 C THR A 12 -1.487 -10.933 3.615 1.00 11.66 C ATOM 193 O THR A 12 -1.182 -12.019 3.170 1.00 12.33 O ATOM 194 CB THR A 12 -0.587 -11.369 5.825 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.810 -11.201 7.207 1.00 10.91 O ATOM 196 CG2 THR A 12 0.904 -10.934 5.607 1.00 9.63 C ATOM 0 H THR A 12 -3.152 -11.809 6.016 1.00 9.63 H new ATOM 0 HA THR A 12 -1.562 -9.563 5.223 1.00 9.85 H new ATOM 0 HB THR A 12 -0.676 -12.383 5.436 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.115 -11.674 7.710 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.557 -11.554 6.221 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.169 -11.057 4.557 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.023 -9.889 5.891 1.00 9.63 H new ATOM 204 N ILE A 13 -1.704 -9.964 2.723 1.00 10.42 N ATOM 205 CA ILE A 13 -1.334 -10.053 1.331 1.00 11.84 C ATOM 206 C ILE A 13 0.238 -9.881 1.172 1.00 10.55 C ATOM 207 O ILE A 13 0.815 -8.968 1.702 1.00 11.92 O ATOM 208 CB ILE A 13 -1.893 -8.990 0.366 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.363 -8.586 0.746 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.867 -9.513 -1.066 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.924 -7.370 -0.042 1.00 16.46 C ATOM 0 H ILE A 13 -2.153 -9.081 2.966 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.751 -11.023 1.062 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.260 -8.106 0.447 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.016 -9.443 0.579 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.400 -8.360 1.812 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.265 -8.753 -1.738 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.841 -9.747 -1.349 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.477 -10.414 -1.136 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.943 -7.163 0.285 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.299 -6.497 0.143 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.925 -7.596 -1.108 1.00 16.46 H new ATOM 223 N THR A 14 0.980 -10.775 0.470 1.00 9.39 N ATOM 224 CA THR A 14 2.377 -10.551 0.009 1.00 9.63 C ATOM 225 C THR A 14 2.281 -9.979 -1.348 1.00 11.20 C ATOM 226 O THR A 14 1.522 -10.341 -2.185 1.00 11.63 O ATOM 227 CB THR A 14 3.281 -11.809 -0.138 1.00 10.38 C ATOM 228 OG1 THR A 14 3.495 -12.573 1.074 1.00 16.30 O ATOM 229 CG2 THR A 14 4.735 -11.527 -0.539 1.00 11.66 C ATOM 0 H THR A 14 0.618 -11.690 0.203 1.00 9.39 H new ATOM 0 HA THR A 14 2.838 -9.929 0.776 1.00 9.63 H new ATOM 0 HB THR A 14 2.699 -12.335 -0.895 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.908 -12.000 1.753 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.281 -12.468 -0.615 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.754 -11.018 -1.502 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.204 -10.895 0.215 1.00 11.66 H new ATOM 237 N LEU A 15 3.082 -8.966 -1.543 1.00 8.29 N ATOM 238 CA LEU A 15 3.179 -8.191 -2.780 1.00 9.03 C ATOM 239 C LEU A 15 4.615 -8.219 -3.288 1.00 8.59 C ATOM 240 O LEU A 15 5.551 -7.912 -2.589 1.00 7.79 O ATOM 241 CB LEU A 15 2.760 -6.742 -2.546 1.00 11.08 C ATOM 242 CG LEU A 15 1.267 -6.642 -2.256 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.970 -5.132 -2.354 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.361 -7.387 -3.266 1.00 15.27 C ATOM 0 H LEU A 15 3.719 -8.633 -0.820 1.00 8.29 H new ATOM 0 HA LEU A 15 2.512 -8.636 -3.518 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.324 -6.327 -1.711 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.004 -6.143 -3.424 1.00 11.08 H new ATOM 0 HG LEU A 15 1.052 -7.102 -1.291 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.088 -4.956 -2.160 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.569 -4.595 -1.618 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.219 -4.776 -3.354 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.683 -7.261 -2.980 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.516 -6.978 -4.264 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.611 -8.448 -3.266 1.00 15.27 H new ATOM 256 N GLU A 16 4.741 -8.498 -4.635 1.00 11.04 N ATOM 257 CA GLU A 16 5.867 -8.287 -5.504 1.00 11.50 C ATOM 258 C GLU A 16 5.997 -6.805 -5.952 1.00 10.13 C ATOM 259 O GLU A 16 5.063 -6.204 -6.540 1.00 9.83 O ATOM 260 CB GLU A 16 5.689 -9.129 -6.789 1.00 17.22 C ATOM 261 CG GLU A 16 6.765 -8.927 -7.833 1.00 23.33 C ATOM 262 CD GLU A 16 8.132 -9.393 -7.379 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.316 -10.622 -7.341 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.044 -8.508 -7.265 1.00 28.90 O ATOM 0 H GLU A 16 3.962 -8.913 -5.146 1.00 11.04 H new ATOM 0 HA GLU A 16 6.756 -8.574 -4.942 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.662 -10.184 -6.515 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.722 -8.890 -7.232 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.488 -9.465 -8.740 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.816 -7.870 -8.092 1.00 23.33 H new ATOM 271 N VAL A 17 7.118 -6.170 -5.458 1.00 8.99 N ATOM 272 CA VAL A 17 7.389 -4.765 -5.568 1.00 8.85 C ATOM 273 C VAL A 17 8.846 -4.383 -5.806 1.00 8.04 C ATOM 274 O VAL A 17 9.725 -5.209 -5.729 1.00 8.99 O ATOM 275 CB VAL A 17 6.951 -3.906 -4.367 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.415 -4.024 -3.962 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.764 -4.180 -3.079 1.00 10.54 C ATOM 0 H VAL A 17 7.854 -6.675 -4.965 1.00 8.99 H new ATOM 0 HA VAL A 17 6.783 -4.550 -6.448 1.00 8.85 H new ATOM 0 HB VAL A 17 7.143 -2.903 -4.747 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.214 -3.379 -3.106 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.793 -3.716 -4.802 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.186 -5.057 -3.700 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.400 -3.539 -2.276 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.648 -5.225 -2.791 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.818 -3.969 -3.262 1.00 10.54 H new ATOM 287 N GLU A 18 9.044 -3.098 -6.115 1.00 7.29 N ATOM 288 CA GLU A 18 10.360 -2.555 -6.228 1.00 7.08 C ATOM 289 C GLU A 18 10.340 -1.257 -5.342 1.00 6.45 C ATOM 290 O GLU A 18 9.292 -0.631 -5.081 1.00 5.28 O ATOM 291 CB GLU A 18 10.812 -2.146 -7.625 1.00 10.28 C ATOM 292 CG GLU A 18 10.888 -3.252 -8.676 1.00 12.65 C ATOM 293 CD GLU A 18 11.865 -4.381 -8.349 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.034 -4.135 -8.087 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.446 -5.528 -8.459 1.00 18.17 O ATOM 0 H GLU A 18 8.293 -2.429 -6.288 1.00 7.29 H new ATOM 0 HA GLU A 18 11.058 -3.337 -5.928 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.132 -1.376 -7.990 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.797 -1.688 -7.543 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.893 -3.678 -8.807 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.173 -2.808 -9.630 1.00 12.65 H new ATOM 302 N PRO A 19 11.505 -0.730 -4.903 1.00 7.24 N ATOM 303 CA PRO A 19 11.609 0.449 -4.126 1.00 7.07 C ATOM 304 C PRO A 19 11.221 1.623 -4.897 1.00 6.65 C ATOM 305 O PRO A 19 10.778 2.615 -4.304 1.00 6.37 O ATOM 306 CB PRO A 19 13.043 0.496 -3.659 1.00 7.61 C ATOM 307 CG PRO A 19 13.452 -0.993 -3.580 1.00 8.16 C ATOM 308 CD PRO A 19 12.693 -1.581 -4.754 1.00 7.49 C ATOM 0 HA PRO A 19 10.931 0.444 -3.273 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.673 1.048 -4.356 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.133 0.988 -2.690 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.529 -1.128 -3.680 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.160 -1.448 -2.634 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.300 -1.574 -5.660 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.415 -2.618 -4.565 1.00 7.49 H new ATOM 316 N SER A 20 11.362 1.523 -6.216 1.00 6.80 N ATOM 317 CA SER A 20 11.021 2.585 -7.128 1.00 6.28 C ATOM 318 C SER A 20 9.527 2.470 -7.566 1.00 8.45 C ATOM 319 O SER A 20 9.075 3.381 -8.262 1.00 7.26 O ATOM 320 CB SER A 20 11.902 2.496 -8.442 1.00 8.57 C ATOM 321 OG SER A 20 12.165 1.186 -8.800 1.00 11.13 O ATOM 0 H SER A 20 11.722 0.687 -6.677 1.00 6.80 H new ATOM 0 HA SER A 20 11.200 3.527 -6.610 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.386 2.999 -9.260 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.842 3.025 -8.285 1.00 8.57 H new ATOM 0 HG SER A 20 12.709 1.173 -9.615 1.00 11.13 H new ATOM 327 N ASP A 21 8.695 1.520 -7.042 1.00 7.50 N ATOM 328 CA ASP A 21 7.243 1.433 -7.323 1.00 7.70 C ATOM 329 C ASP A 21 6.567 2.491 -6.465 1.00 7.08 C ATOM 330 O ASP A 21 6.818 2.666 -5.294 1.00 8.11 O ATOM 331 CB ASP A 21 6.620 -0.005 -7.075 1.00 11.00 C ATOM 332 CG ASP A 21 6.959 -1.023 -8.171 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.636 -0.652 -9.131 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.673 -2.215 -7.894 1.00 14.36 O ATOM 0 H ASP A 21 9.024 0.791 -6.409 1.00 7.50 H new ATOM 0 HA ASP A 21 7.076 1.610 -8.385 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.975 -0.385 -6.117 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.536 0.087 -7.000 1.00 11.00 H new ATOM 339 N THR A 22 5.692 3.294 -7.072 1.00 5.37 N ATOM 340 CA THR A 22 4.806 4.229 -6.494 1.00 6.01 C ATOM 341 C THR A 22 3.767 3.619 -5.590 1.00 8.01 C ATOM 342 O THR A 22 3.280 2.549 -5.807 1.00 8.11 O ATOM 343 CB THR A 22 4.269 5.361 -7.384 1.00 8.92 C ATOM 344 OG1 THR A 22 3.525 4.783 -8.352 1.00 10.22 O ATOM 345 CG2 THR A 22 5.425 6.095 -8.123 1.00 9.65 C ATOM 0 H THR A 22 5.600 3.281 -8.088 1.00 5.37 H new ATOM 0 HA THR A 22 5.491 4.779 -5.848 1.00 6.01 H new ATOM 0 HB THR A 22 3.718 6.066 -6.761 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.161 5.475 -8.942 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.013 6.890 -8.744 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.110 6.524 -7.392 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.963 5.386 -8.751 1.00 9.65 H new ATOM 353 N ILE A 23 3.352 4.338 -4.559 1.00 8.32 N ATOM 354 CA ILE A 23 2.174 3.994 -3.789 1.00 9.92 C ATOM 355 C ILE A 23 0.914 3.838 -4.631 1.00 10.01 C ATOM 356 O ILE A 23 0.049 2.951 -4.383 1.00 8.71 O ATOM 357 CB ILE A 23 2.045 5.115 -2.711 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.306 5.109 -1.796 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.704 4.938 -1.953 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.385 3.863 -0.920 1.00 12.30 C ATOM 0 H ILE A 23 3.827 5.180 -4.234 1.00 8.32 H new ATOM 0 HA ILE A 23 2.285 3.009 -3.335 1.00 9.92 H new ATOM 0 HB ILE A 23 2.013 6.105 -3.167 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.201 5.171 -2.415 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.295 5.995 -1.162 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.607 5.718 -1.198 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.124 5.010 -2.658 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.685 3.961 -1.470 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.282 3.909 -0.302 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.505 3.813 -0.279 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.425 2.976 -1.552 1.00 12.30 H new ATOM 372 N GLU A 24 0.817 4.596 -5.750 1.00 9.54 N ATOM 373 CA GLU A 24 -0.229 4.413 -6.743 1.00 11.81 C ATOM 374 C GLU A 24 -0.170 3.074 -7.416 1.00 11.14 C ATOM 375 O GLU A 24 -1.184 2.460 -7.686 1.00 10.62 O ATOM 376 CB GLU A 24 0.041 5.546 -7.762 1.00 19.24 C ATOM 377 CG GLU A 24 -0.994 5.618 -8.891 1.00 27.76 C ATOM 378 CD GLU A 24 -0.659 6.646 -9.916 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.243 6.408 -10.741 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.340 7.717 -10.021 1.00 34.80 O ATOM 0 H GLU A 24 1.470 5.347 -5.975 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.221 4.450 -6.292 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.058 6.500 -7.235 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.031 5.404 -8.196 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.069 4.643 -9.372 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.973 5.840 -8.467 1.00 27.76 H new ATOM 387 N ASN A 25 1.087 2.552 -7.619 1.00 9.43 N ATOM 388 CA ASN A 25 1.365 1.293 -8.226 1.00 10.96 C ATOM 389 C ASN A 25 1.080 0.176 -7.228 1.00 9.68 C ATOM 390 O ASN A 25 0.816 -0.960 -7.619 1.00 9.33 O ATOM 391 CB ASN A 25 2.806 1.187 -8.843 1.00 16.78 C ATOM 392 CG ASN A 25 2.750 0.024 -9.847 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.725 -0.341 -10.410 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.953 -0.581 -10.192 1.00 24.70 N ATOM 0 H ASN A 25 1.932 3.049 -7.339 1.00 9.43 H new ATOM 0 HA ASN A 25 0.699 1.189 -9.082 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.089 2.116 -9.337 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.550 0.999 -8.069 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.970 -1.314 -10.902 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.818 -0.292 -9.736 1.00 24.70 H new ATOM 401 N VAL A 26 1.277 0.469 -5.866 1.00 6.52 N ATOM 402 CA VAL A 26 1.138 -0.503 -4.731 1.00 5.53 C ATOM 403 C VAL A 26 -0.299 -0.846 -4.738 1.00 4.42 C ATOM 404 O VAL A 26 -0.737 -2.003 -4.751 1.00 3.40 O ATOM 405 CB VAL A 26 1.731 -0.110 -3.392 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.422 -1.192 -2.349 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.256 -0.126 -3.617 1.00 8.12 C ATOM 0 H VAL A 26 1.539 1.403 -5.549 1.00 6.52 H new ATOM 0 HA VAL A 26 1.771 -1.376 -4.889 1.00 5.53 H new ATOM 0 HB VAL A 26 1.341 0.848 -3.049 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.850 -0.905 -1.389 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.342 -1.301 -2.247 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.854 -2.140 -2.670 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.763 0.149 -2.692 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.569 -1.125 -3.919 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.516 0.588 -4.399 1.00 8.12 H new ATOM 417 N LYS A 27 -1.143 0.175 -4.729 1.00 2.64 N ATOM 418 CA LYS A 27 -2.579 0.053 -4.765 1.00 4.14 C ATOM 419 C LYS A 27 -3.160 -0.670 -5.993 1.00 5.58 C ATOM 420 O LYS A 27 -4.174 -1.413 -5.856 1.00 4.11 O ATOM 421 CB LYS A 27 -3.190 1.495 -4.564 1.00 3.97 C ATOM 422 CG LYS A 27 -2.926 2.160 -3.221 1.00 7.45 C ATOM 423 CD LYS A 27 -3.741 3.436 -2.975 1.00 9.02 C ATOM 424 CE LYS A 27 -3.493 4.483 -4.090 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.338 5.657 -3.814 1.00 15.47 N ATOM 0 H LYS A 27 -0.827 1.144 -4.695 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.871 -0.612 -3.952 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.801 2.144 -5.349 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.269 1.432 -4.708 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.143 1.446 -2.427 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.865 2.402 -3.151 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.802 3.190 -2.933 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.473 3.861 -2.008 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.442 4.769 -4.116 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.733 4.063 -5.067 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.023 6.457 -4.399 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.328 5.432 -4.039 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.260 5.912 -2.809 1.00 15.47 H new ATOM 439 N ALA A 28 -2.517 -0.453 -7.159 1.00 6.61 N ATOM 440 CA ALA A 28 -2.857 -1.127 -8.431 1.00 7.74 C ATOM 441 C ALA A 28 -2.618 -2.654 -8.486 1.00 9.17 C ATOM 442 O ALA A 28 -3.389 -3.415 -9.057 1.00 11.45 O ATOM 443 CB ALA A 28 -2.070 -0.481 -9.594 1.00 7.68 C ATOM 0 H ALA A 28 -1.739 0.201 -7.246 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.935 -0.990 -8.518 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.325 -0.982 -10.528 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.329 0.575 -9.666 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.000 -0.580 -9.409 1.00 7.68 H new ATOM 449 N LYS A 29 -1.630 -3.174 -7.738 1.00 8.96 N ATOM 450 CA LYS A 29 -1.367 -4.575 -7.351 1.00 7.90 C ATOM 451 C LYS A 29 -2.478 -5.060 -6.417 1.00 6.92 C ATOM 452 O LYS A 29 -3.022 -6.175 -6.471 1.00 6.87 O ATOM 453 CB LYS A 29 0.030 -4.717 -6.697 1.00 10.28 C ATOM 454 CG LYS A 29 1.169 -4.323 -7.605 1.00 14.94 C ATOM 455 CD LYS A 29 2.488 -4.058 -6.811 1.00 19.69 C ATOM 456 CE LYS A 29 3.681 -3.482 -7.583 1.00 22.63 C ATOM 457 NZ LYS A 29 4.176 -4.393 -8.726 1.00 24.98 N ATOM 0 H LYS A 29 -0.918 -2.558 -7.346 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.364 -5.200 -8.244 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.064 -4.102 -5.798 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.170 -5.751 -6.381 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.339 -5.113 -8.336 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.895 -3.427 -8.162 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.256 -3.375 -5.994 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.803 -4.999 -6.360 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.401 -2.513 -7.997 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.502 -3.307 -6.888 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.877 -3.881 -9.299 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.613 -5.247 -8.325 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.371 -4.665 -9.326 1.00 24.98 H new ATOM 471 N ILE A 30 -2.899 -4.201 -5.526 1.00 4.57 N ATOM 472 CA ILE A 30 -4.078 -4.487 -4.603 1.00 5.58 C ATOM 473 C ILE A 30 -5.369 -4.578 -5.356 1.00 7.26 C ATOM 474 O ILE A 30 -6.179 -5.529 -5.196 1.00 9.46 O ATOM 475 CB ILE A 30 -4.082 -3.675 -3.285 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.765 -4.088 -2.532 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.242 -4.189 -2.549 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.501 -3.225 -1.268 1.00 2.00 C ATOM 0 H ILE A 30 -2.474 -3.285 -5.384 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.937 -5.492 -4.206 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.129 -2.593 -3.408 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.830 -5.137 -2.243 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.918 -3.997 -3.213 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.327 -3.669 -1.595 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.147 -4.023 -3.134 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.116 -5.257 -2.371 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.579 -3.554 -0.789 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.406 -2.178 -1.556 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.332 -3.336 -0.571 1.00 2.00 H new ATOM 490 N GLN A 31 -5.634 -3.650 -6.313 1.00 7.06 N ATOM 491 CA GLN A 31 -6.728 -3.911 -7.277 1.00 8.67 C ATOM 492 C GLN A 31 -6.693 -5.194 -8.096 1.00 10.90 C ATOM 493 O GLN A 31 -7.691 -5.908 -8.228 1.00 9.63 O ATOM 494 CB GLN A 31 -6.981 -2.698 -8.300 1.00 9.12 C ATOM 495 CG GLN A 31 -8.018 -2.955 -9.399 1.00 10.76 C ATOM 496 CD GLN A 31 -8.498 -1.690 -10.157 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.733 -1.139 -10.992 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.809 -1.384 -9.983 1.00 14.76 N ATOM 0 H GLN A 31 -5.138 -2.767 -6.434 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.547 -4.031 -6.567 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.295 -1.825 -7.728 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.033 -2.444 -8.774 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.595 -3.654 -10.121 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.884 -3.443 -8.953 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.360 -1.880 -9.282 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.243 -0.658 -10.553 1.00 14.76 H new ATOM 507 N ASP A 32 -5.524 -5.547 -8.621 1.00 10.93 N ATOM 508 CA ASP A 32 -5.235 -6.788 -9.360 1.00 14.01 C ATOM 509 C ASP A 32 -5.536 -8.014 -8.532 1.00 14.04 C ATOM 510 O ASP A 32 -6.099 -9.005 -8.942 1.00 13.39 O ATOM 511 CB ASP A 32 -3.713 -6.805 -9.829 1.00 18.01 C ATOM 512 CG ASP A 32 -3.330 -7.970 -10.666 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.865 -8.240 -11.748 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.308 -8.619 -10.259 1.00 26.29 O ATOM 0 H ASP A 32 -4.703 -4.947 -8.542 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.884 -6.811 -10.236 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.510 -5.892 -10.388 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.075 -6.786 -8.945 1.00 18.01 H new ATOM 519 N LYS A 33 -5.033 -7.986 -7.272 1.00 14.22 N ATOM 520 CA LYS A 33 -5.214 -9.158 -6.362 1.00 14.00 C ATOM 521 C LYS A 33 -6.549 -9.285 -5.635 1.00 12.37 C ATOM 522 O LYS A 33 -7.143 -10.358 -5.467 1.00 12.17 O ATOM 523 CB LYS A 33 -4.143 -9.159 -5.247 1.00 18.62 C ATOM 524 CG LYS A 33 -2.639 -9.264 -5.723 1.00 24.00 C ATOM 525 CD LYS A 33 -2.379 -10.510 -6.536 1.00 27.61 C ATOM 526 CE LYS A 33 -0.978 -10.602 -7.158 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.932 -11.883 -7.859 1.00 30.06 N ATOM 0 H LYS A 33 -4.519 -7.202 -6.870 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.141 -9.990 -7.062 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.255 -8.245 -4.664 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.349 -9.992 -4.575 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.387 -8.386 -6.318 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.984 -9.258 -4.852 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.534 -11.380 -5.898 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.118 -10.565 -7.335 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.801 -9.775 -7.845 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.206 -10.549 -6.390 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.001 -12.002 -8.304 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.094 -12.655 -7.182 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.670 -11.905 -8.591 1.00 30.06 H new ATOM 541 N GLU A 34 -7.065 -8.158 -5.134 1.00 10.11 N ATOM 542 CA GLU A 34 -8.216 -8.190 -4.195 1.00 10.07 C ATOM 543 C GLU A 34 -9.464 -7.583 -4.737 1.00 9.32 C ATOM 544 O GLU A 34 -10.497 -7.678 -4.059 1.00 11.61 O ATOM 545 CB GLU A 34 -7.894 -7.401 -2.910 1.00 14.77 C ATOM 546 CG GLU A 34 -6.964 -8.107 -1.928 1.00 18.75 C ATOM 547 CD GLU A 34 -7.404 -9.412 -1.434 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.561 -9.581 -0.954 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.619 -10.389 -1.495 1.00 25.19 O ATOM 0 H GLU A 34 -6.719 -7.223 -5.351 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.381 -9.252 -4.012 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.444 -6.449 -3.191 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.829 -7.173 -2.399 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.994 -8.234 -2.408 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.812 -7.451 -1.071 1.00 18.75 H new ATOM 556 N GLY A 35 -9.389 -6.877 -5.857 1.00 7.22 N ATOM 557 CA GLY A 35 -10.488 -6.262 -6.550 1.00 6.29 C ATOM 558 C GLY A 35 -11.004 -4.964 -5.853 1.00 6.93 C ATOM 559 O GLY A 35 -12.103 -4.428 -6.170 1.00 7.41 O ATOM 0 H GLY A 35 -8.498 -6.715 -6.327 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.179 -6.022 -7.568 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.307 -6.977 -6.625 1.00 6.29 H new ATOM 563 N ILE A 36 -10.272 -4.465 -4.864 1.00 5.86 N ATOM 564 CA ILE A 36 -10.603 -3.199 -4.167 1.00 6.07 C ATOM 565 C ILE A 36 -10.229 -1.966 -5.039 1.00 6.36 C ATOM 566 O ILE A 36 -9.099 -2.044 -5.583 1.00 6.18 O ATOM 567 CB ILE A 36 -9.883 -3.071 -2.885 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.957 -4.375 -2.004 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.391 -1.784 -2.157 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.880 -4.401 -0.936 1.00 9.49 C ATOM 0 H ILE A 36 -9.428 -4.917 -4.512 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.677 -3.228 -3.984 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.816 -2.958 -3.079 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.937 -4.438 -1.532 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.854 -5.251 -2.644 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.869 -1.674 -1.207 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.196 -0.912 -2.781 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.462 -1.868 -1.975 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.968 -5.317 -0.352 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.898 -4.365 -1.408 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.998 -3.539 -0.279 1.00 9.49 H new ATOM 582 N PRO A 37 -11.087 -0.892 -5.311 1.00 8.65 N ATOM 583 CA PRO A 37 -10.691 0.285 -6.106 1.00 9.18 C ATOM 584 C PRO A 37 -9.505 1.019 -5.520 1.00 9.85 C ATOM 585 O PRO A 37 -9.620 1.252 -4.317 1.00 8.51 O ATOM 586 CB PRO A 37 -11.986 1.136 -6.113 1.00 11.42 C ATOM 587 CG PRO A 37 -13.151 0.161 -5.883 1.00 9.27 C ATOM 588 CD PRO A 37 -12.506 -0.897 -4.980 1.00 8.33 C ATOM 0 HA PRO A 37 -10.343 0.029 -7.107 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.955 1.895 -5.331 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.101 1.660 -7.062 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.000 0.646 -5.401 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.516 -0.267 -6.817 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.663 -0.660 -3.928 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.944 -1.880 -5.155 1.00 8.33 H new ATOM 596 N PRO A 38 -8.403 1.428 -6.170 1.00 8.71 N ATOM 597 CA PRO A 38 -7.424 2.301 -5.625 1.00 9.08 C ATOM 598 C PRO A 38 -7.792 3.584 -4.921 1.00 9.28 C ATOM 599 O PRO A 38 -7.013 4.134 -4.164 1.00 6.50 O ATOM 600 CB PRO A 38 -6.509 2.594 -6.813 1.00 10.31 C ATOM 601 CG PRO A 38 -6.773 1.488 -7.876 1.00 10.81 C ATOM 602 CD PRO A 38 -8.192 1.063 -7.576 1.00 12.00 C ATOM 0 HA PRO A 38 -7.011 1.773 -4.766 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.716 3.582 -7.225 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.464 2.590 -6.504 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.672 1.871 -8.891 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.073 0.658 -7.778 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.903 1.571 -8.228 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.326 -0.008 -7.731 1.00 12.00 H new ATOM 610 N ASP A 39 -8.956 4.108 -5.161 1.00 11.20 N ATOM 611 CA ASP A 39 -9.465 5.349 -4.590 1.00 14.96 C ATOM 612 C ASP A 39 -10.303 4.968 -3.359 1.00 13.99 C ATOM 613 O ASP A 39 -10.795 5.841 -2.713 1.00 13.75 O ATOM 614 CB ASP A 39 -10.298 6.179 -5.540 1.00 24.16 C ATOM 615 CG ASP A 39 -9.414 6.535 -6.730 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.664 7.511 -6.559 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.515 5.958 -7.807 1.00 34.22 O ATOM 0 H ASP A 39 -9.624 3.668 -5.794 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.611 5.978 -4.339 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.176 5.622 -5.867 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.659 7.081 -5.046 1.00 24.16 H new ATOM 622 N GLN A 40 -10.572 3.660 -3.110 1.00 11.60 N ATOM 623 CA GLN A 40 -11.167 3.307 -1.858 1.00 10.76 C ATOM 624 C GLN A 40 -10.104 2.831 -0.902 1.00 8.01 C ATOM 625 O GLN A 40 -10.375 2.215 0.142 1.00 8.96 O ATOM 626 CB GLN A 40 -12.264 2.266 -2.103 1.00 11.14 C ATOM 627 CG GLN A 40 -13.482 3.038 -2.752 1.00 14.85 C ATOM 628 CD GLN A 40 -14.648 2.083 -3.081 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.838 1.083 -2.374 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.429 2.370 -4.130 1.00 18.16 N ATOM 0 H GLN A 40 -10.385 2.886 -3.747 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.637 4.174 -1.394 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.908 1.477 -2.765 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.561 1.789 -1.169 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.828 3.814 -2.069 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.153 3.539 -3.662 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.244 3.202 -4.691 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.209 1.757 -4.368 1.00 18.16 H new ATOM 639 N GLN A 41 -8.794 3.154 -1.186 1.00 6.52 N ATOM 640 CA GLN A 41 -7.658 2.621 -0.466 1.00 3.87 C ATOM 641 C GLN A 41 -6.793 3.776 0.159 1.00 4.79 C ATOM 642 O GLN A 41 -6.464 4.809 -0.427 1.00 6.34 O ATOM 643 CB GLN A 41 -6.827 1.749 -1.390 1.00 4.20 C ATOM 644 CG GLN A 41 -7.492 0.386 -1.763 1.00 3.20 C ATOM 645 CD GLN A 41 -6.521 -0.317 -2.692 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.325 -0.439 -2.378 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.944 -1.029 -3.779 1.00 7.13 N ATOM 0 H GLN A 41 -8.533 3.799 -1.932 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.021 2.007 0.358 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.624 2.303 -2.307 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.865 1.552 -0.916 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.681 -0.212 -0.872 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.454 0.543 -2.251 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.916 -0.967 -4.082 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.288 -1.622 -4.287 1.00 7.13 H new ATOM 656 N ARG A 42 -6.372 3.634 1.414 1.00 5.73 N ATOM 657 CA ARG A 42 -5.286 4.431 2.007 1.00 6.97 C ATOM 658 C ARG A 42 -4.325 3.344 2.495 1.00 7.15 C ATOM 659 O ARG A 42 -4.699 2.273 2.982 1.00 7.33 O ATOM 660 CB ARG A 42 -5.704 5.235 3.220 1.00 13.23 C ATOM 661 CG ARG A 42 -6.445 6.543 2.747 1.00 21.27 C ATOM 662 CD ARG A 42 -6.911 7.368 4.040 1.00 26.14 C ATOM 663 NE ARG A 42 -7.321 8.683 3.635 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.613 9.157 3.891 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.451 8.339 4.483 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.027 10.292 3.540 1.00 36.39 N ATOM 0 H ARG A 42 -6.776 2.956 2.060 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.899 5.153 1.288 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.360 4.641 3.856 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.830 5.494 3.818 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.782 7.150 2.130 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.307 6.287 2.132 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.733 6.854 4.538 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.094 7.433 4.759 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.656 9.285 3.150 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.151 7.398 4.738 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.402 8.644 4.688 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.408 10.928 3.037 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.982 10.576 3.758 1.00 36.39 H new ATOM 680 N LEU A 43 -3.040 3.609 2.348 1.00 4.65 N ATOM 681 CA LEU A 43 -1.955 2.718 2.665 1.00 3.51 C ATOM 682 C LEU A 43 -1.160 3.320 3.927 1.00 5.56 C ATOM 683 O LEU A 43 -0.863 4.514 3.959 1.00 4.19 O ATOM 684 CB LEU A 43 -0.976 2.434 1.493 1.00 3.74 C ATOM 685 CG LEU A 43 -1.698 1.897 0.244 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.614 1.282 -0.636 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.715 0.784 0.542 1.00 6.41 C ATOM 0 H LEU A 43 -2.714 4.504 1.983 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.398 1.749 2.892 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.445 3.351 1.237 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.227 1.711 1.816 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.247 2.722 -0.210 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.066 0.881 -1.543 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.116 2.046 -0.902 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.117 0.478 -0.093 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.181 0.459 -0.388 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.205 -0.060 1.007 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.481 1.163 1.219 1.00 6.41 H new ATOM 699 N ILE A 44 -0.792 2.439 4.895 1.00 4.58 N ATOM 700 CA ILE A 44 -0.219 2.798 6.235 1.00 5.55 C ATOM 701 C ILE A 44 1.116 2.022 6.519 1.00 5.46 C ATOM 702 O ILE A 44 1.158 0.779 6.487 1.00 6.04 O ATOM 703 CB ILE A 44 -1.154 2.477 7.402 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.606 2.977 7.110 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.680 3.043 8.763 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.779 4.495 6.978 1.00 13.90 C ATOM 0 H ILE A 44 -0.885 1.431 4.769 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.056 3.874 6.177 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.140 1.390 7.488 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.951 2.510 6.188 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.258 2.625 7.909 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.396 2.773 9.539 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.297 2.627 9.010 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.606 4.129 8.700 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.825 4.726 6.776 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.473 4.978 7.906 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.162 4.862 6.158 1.00 13.90 H new ATOM 718 N PHE A 45 2.230 2.800 6.645 1.00 6.75 N ATOM 719 CA PHE A 45 3.487 2.236 7.062 1.00 4.70 C ATOM 720 C PHE A 45 3.988 2.885 8.338 1.00 6.34 C ATOM 721 O PHE A 45 4.249 4.054 8.422 1.00 5.45 O ATOM 722 CB PHE A 45 4.577 2.452 5.972 1.00 5.51 C ATOM 723 CG PHE A 45 5.825 1.760 6.363 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.838 0.387 6.684 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.964 2.539 6.543 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.000 -0.231 7.198 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.132 1.940 7.161 1.00 6.64 C ATOM 728 CZ PHE A 45 8.173 0.534 7.411 1.00 6.84 C ATOM 0 H PHE A 45 2.254 3.803 6.460 1.00 6.75 H new ATOM 0 HA PHE A 45 3.312 1.173 7.227 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.225 2.071 5.013 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.767 3.517 5.842 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.945 -0.202 6.535 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.978 3.572 6.228 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.994 -1.286 7.428 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.974 2.559 7.433 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.082 0.063 7.756 1.00 6.84 H new ATOM 738 N ALA A 46 4.186 2.077 9.385 1.00 6.53 N ATOM 739 CA ALA A 46 4.693 2.495 10.658 1.00 7.15 C ATOM 740 C ALA A 46 4.040 3.631 11.319 1.00 9.00 C ATOM 741 O ALA A 46 4.674 4.552 11.823 1.00 11.15 O ATOM 742 CB ALA A 46 6.279 2.570 10.529 1.00 8.99 C ATOM 0 H ALA A 46 3.984 1.078 9.348 1.00 6.53 H new ATOM 0 HA ALA A 46 4.413 1.743 11.396 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.707 2.886 11.480 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.669 1.587 10.264 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.547 3.288 9.754 1.00 8.99 H new ATOM 748 N GLY A 47 2.672 3.622 11.326 1.00 9.35 N ATOM 749 CA GLY A 47 1.817 4.709 11.886 1.00 11.68 C ATOM 750 C GLY A 47 1.668 5.894 10.978 1.00 11.14 C ATOM 751 O GLY A 47 1.048 6.878 11.383 1.00 13.93 O ATOM 0 H GLY A 47 2.130 2.850 10.938 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.829 4.304 12.104 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.242 5.041 12.833 1.00 11.68 H new ATOM 755 N LYS A 48 2.280 5.825 9.780 1.00 10.47 N ATOM 756 CA LYS A 48 2.197 6.922 8.828 1.00 8.82 C ATOM 757 C LYS A 48 1.464 6.491 7.561 1.00 7.68 C ATOM 758 O LYS A 48 1.760 5.369 7.043 1.00 6.47 O ATOM 759 CB LYS A 48 3.604 7.303 8.524 1.00 9.74 C ATOM 760 CG LYS A 48 3.686 8.581 7.748 1.00 14.14 C ATOM 761 CD LYS A 48 5.156 9.007 7.393 1.00 16.32 C ATOM 762 CE LYS A 48 5.215 10.227 6.441 1.00 20.04 C ATOM 763 NZ LYS A 48 6.649 10.576 6.130 1.00 23.92 N ATOM 0 H LYS A 48 2.828 5.026 9.462 1.00 10.47 H new ATOM 0 HA LYS A 48 1.636 7.762 9.237 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.160 7.409 9.456 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.081 6.504 7.957 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.115 8.474 6.826 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.215 9.377 8.324 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.693 9.243 8.312 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.671 8.166 6.930 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.679 10.004 5.518 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.717 11.081 6.901 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.676 11.396 5.491 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.149 10.808 7.012 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.112 9.765 5.673 1.00 23.92 H new ATOM 777 N GLN A 49 0.470 7.291 7.105 1.00 8.89 N ATOM 778 CA GLN A 49 -0.219 7.328 5.853 1.00 7.18 C ATOM 779 C GLN A 49 0.755 7.684 4.722 1.00 8.23 C ATOM 780 O GLN A 49 1.703 8.470 4.775 1.00 9.70 O ATOM 781 CB GLN A 49 -1.349 8.345 5.991 1.00 11.67 C ATOM 782 CG GLN A 49 -2.294 8.253 4.751 1.00 15.82 C ATOM 783 CD GLN A 49 -3.463 9.281 4.701 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.741 9.789 3.609 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.095 9.607 5.866 1.00 20.67 N ATOM 0 H GLN A 49 0.104 8.018 7.719 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.639 6.355 5.597 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.912 8.155 6.905 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.938 9.351 6.073 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.691 8.375 3.851 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.718 7.250 4.717 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.822 9.154 6.738 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.840 10.304 5.864 1.00 20.67 H new ATOM 794 N LEU A 50 0.554 7.029 3.514 1.00 6.51 N ATOM 795 CA LEU A 50 1.297 7.093 2.356 1.00 7.41 C ATOM 796 C LEU A 50 0.514 7.872 1.237 1.00 8.27 C ATOM 797 O LEU A 50 -0.695 7.845 1.182 1.00 8.34 O ATOM 798 CB LEU A 50 1.770 5.705 1.819 1.00 7.13 C ATOM 799 CG LEU A 50 2.218 4.705 2.861 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.731 3.352 2.375 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.270 5.325 3.825 1.00 9.11 C ATOM 0 H LEU A 50 -0.238 6.396 3.402 1.00 6.51 H new ATOM 0 HA LEU A 50 2.204 7.636 2.621 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.954 5.262 1.247 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.594 5.869 1.124 1.00 7.13 H new ATOM 0 HG LEU A 50 1.281 4.478 3.369 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.015 2.741 3.232 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.946 2.846 1.813 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.598 3.501 1.732 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.571 4.581 4.562 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.142 5.645 3.255 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.834 6.184 4.335 1.00 9.11 H new ATOM 813 N GLU A 51 1.281 8.608 0.388 1.00 9.43 N ATOM 814 CA GLU A 51 0.721 9.449 -0.712 1.00 11.90 C ATOM 815 C GLU A 51 1.115 8.920 -2.104 1.00 11.49 C ATOM 816 O GLU A 51 2.195 8.427 -2.383 1.00 9.88 O ATOM 817 CB GLU A 51 1.147 10.933 -0.395 1.00 16.56 C ATOM 818 CG GLU A 51 0.565 11.954 -1.358 1.00 26.06 C ATOM 819 CD GLU A 51 1.435 13.219 -1.266 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.113 14.003 -0.348 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.406 13.385 -2.023 1.00 33.44 O ATOM 0 H GLU A 51 2.299 8.637 0.444 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.367 9.407 -0.753 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.834 11.183 0.619 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.235 11.003 -0.419 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.561 11.564 -2.376 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.470 12.180 -1.099 1.00 26.06 H new ATOM 828 N ASP A 52 0.106 8.898 -2.990 1.00 12.71 N ATOM 829 CA ASP A 52 0.123 8.184 -4.245 1.00 16.56 C ATOM 830 C ASP A 52 1.376 8.307 -5.184 1.00 15.83 C ATOM 831 O ASP A 52 1.928 7.280 -5.561 1.00 17.21 O ATOM 832 CB ASP A 52 -1.048 8.732 -4.991 1.00 21.05 C ATOM 833 CG ASP A 52 -2.400 8.562 -4.313 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.591 9.128 -3.214 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.207 7.767 -4.873 1.00 25.82 O ATOM 0 H ASP A 52 -0.768 9.400 -2.832 1.00 12.71 H new ATOM 0 HA ASP A 52 0.121 7.125 -3.988 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.880 9.795 -5.164 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.090 8.252 -5.969 1.00 21.05 H new ATOM 840 N GLY A 53 1.888 9.480 -5.591 1.00 15.00 N ATOM 841 CA GLY A 53 2.979 9.557 -6.546 1.00 11.77 C ATOM 842 C GLY A 53 4.307 9.402 -5.863 1.00 11.10 C ATOM 843 O GLY A 53 5.356 9.375 -6.470 1.00 11.25 O ATOM 0 H GLY A 53 1.554 10.387 -5.265 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.862 8.779 -7.300 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.944 10.514 -7.067 1.00 11.77 H new ATOM 847 N ARG A 54 4.277 9.263 -4.562 1.00 8.53 N ATOM 848 CA ARG A 54 5.456 8.876 -3.784 1.00 9.05 C ATOM 849 C ARG A 54 5.714 7.402 -3.905 1.00 8.96 C ATOM 850 O ARG A 54 4.815 6.665 -4.164 1.00 11.60 O ATOM 851 CB ARG A 54 5.294 9.278 -2.260 1.00 7.97 C ATOM 852 CG ARG A 54 4.728 10.738 -2.028 1.00 9.62 C ATOM 853 CD ARG A 54 5.816 11.765 -2.054 1.00 12.20 C ATOM 854 NE ARG A 54 5.136 13.093 -2.038 1.00 18.23 N ATOM 855 CZ ARG A 54 5.806 14.245 -1.872 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.159 14.311 -1.841 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.167 15.385 -1.542 1.00 23.38 N ATOM 0 H ARG A 54 3.440 9.412 -3.999 1.00 8.53 H new ATOM 0 HA ARG A 54 6.311 9.415 -4.191 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.629 8.562 -1.776 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.264 9.195 -1.769 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.991 10.969 -2.797 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.211 10.780 -1.069 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.476 11.655 -1.193 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.434 11.655 -2.945 1.00 12.20 H new ATOM 0 HE ARG A 54 4.124 13.127 -2.158 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.714 13.461 -1.946 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.623 15.210 -1.712 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.155 15.384 -1.413 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.695 16.249 -1.421 1.00 23.38 H new ATOM 871 N THR A 55 7.010 6.929 -3.732 1.00 9.05 N ATOM 872 CA THR A 55 7.598 5.637 -3.823 1.00 9.03 C ATOM 873 C THR A 55 7.784 5.040 -2.480 1.00 8.15 C ATOM 874 O THR A 55 7.785 5.729 -1.481 1.00 5.91 O ATOM 875 CB THR A 55 8.935 5.558 -4.624 1.00 11.15 C ATOM 876 OG1 THR A 55 10.006 6.283 -4.068 1.00 11.95 O ATOM 877 CG2 THR A 55 8.687 6.110 -6.082 1.00 11.71 C ATOM 0 H THR A 55 7.735 7.604 -3.487 1.00 9.05 H new ATOM 0 HA THR A 55 6.877 5.061 -4.403 1.00 9.03 H new ATOM 0 HB THR A 55 9.225 4.508 -4.606 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.667 7.108 -3.662 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.614 6.060 -6.653 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.925 5.506 -6.575 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.350 7.145 -6.027 1.00 11.71 H new ATOM 885 N LEU A 56 7.992 3.721 -2.459 1.00 6.91 N ATOM 886 CA LEU A 56 8.455 3.022 -1.289 1.00 8.29 C ATOM 887 C LEU A 56 9.838 3.421 -0.842 1.00 8.05 C ATOM 888 O LEU A 56 10.146 3.319 0.324 1.00 10.17 O ATOM 889 CB LEU A 56 8.507 1.552 -1.692 1.00 6.60 C ATOM 890 CG LEU A 56 7.153 0.870 -2.067 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.389 -0.540 -2.730 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.201 0.839 -0.873 1.00 8.64 C ATOM 0 H LEU A 56 7.839 3.117 -3.266 1.00 6.91 H new ATOM 0 HA LEU A 56 7.785 3.249 -0.459 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.181 1.458 -2.544 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.952 0.991 -0.870 1.00 6.60 H new ATOM 0 HG LEU A 56 6.656 1.474 -2.826 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.428 -0.990 -2.980 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.981 -0.421 -3.638 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.921 -1.186 -2.032 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.267 0.358 -1.165 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.658 0.279 -0.058 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.997 1.858 -0.544 1.00 8.64 H new ATOM 904 N SER A 57 10.701 3.927 -1.682 1.00 8.92 N ATOM 905 CA SER A 57 11.967 4.537 -1.277 1.00 9.00 C ATOM 906 C SER A 57 11.837 5.766 -0.399 1.00 9.44 C ATOM 907 O SER A 57 12.588 5.932 0.571 1.00 10.91 O ATOM 908 CB SER A 57 12.828 4.941 -2.495 1.00 10.32 C ATOM 909 OG SER A 57 14.202 5.167 -2.120 1.00 13.59 O ATOM 0 H SER A 57 10.553 3.933 -2.691 1.00 8.92 H new ATOM 0 HA SER A 57 12.441 3.749 -0.692 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.780 4.157 -3.251 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.420 5.845 -2.947 1.00 10.32 H new ATOM 0 HG SER A 57 14.720 5.419 -2.913 1.00 13.59 H new ATOM 915 N ASP A 58 10.809 6.644 -0.663 1.00 9.11 N ATOM 916 CA ASP A 58 10.443 7.807 0.096 1.00 7.91 C ATOM 917 C ASP A 58 10.079 7.523 1.539 1.00 9.12 C ATOM 918 O ASP A 58 10.255 8.333 2.423 1.00 8.61 O ATOM 919 CB ASP A 58 9.189 8.448 -0.520 1.00 8.41 C ATOM 920 CG ASP A 58 9.542 9.028 -1.872 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.301 10.071 -1.941 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.029 8.576 -2.886 1.00 11.70 O ATOM 0 H ASP A 58 10.201 6.514 -1.471 1.00 9.11 H new ATOM 0 HA ASP A 58 11.326 8.446 0.070 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.399 7.704 -0.625 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.806 9.230 0.136 1.00 8.41 H new ATOM 927 N TYR A 59 9.539 6.278 1.756 1.00 7.97 N ATOM 928 CA TYR A 59 9.053 5.849 3.043 1.00 8.45 C ATOM 929 C TYR A 59 10.132 4.899 3.638 1.00 10.98 C ATOM 930 O TYR A 59 9.884 4.431 4.735 1.00 12.95 O ATOM 931 CB TYR A 59 7.750 5.103 2.786 1.00 7.94 C ATOM 932 CG TYR A 59 6.686 6.086 2.372 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.362 7.139 3.242 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.063 5.958 1.105 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.494 8.118 2.823 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.231 6.999 0.693 1.00 6.52 C ATOM 937 CZ TYR A 59 4.887 8.039 1.579 1.00 6.76 C ATOM 938 OH TYR A 59 4.107 9.066 1.025 1.00 7.63 O ATOM 0 H TYR A 59 9.445 5.573 1.025 1.00 7.97 H new ATOM 0 HA TYR A 59 8.874 6.670 3.738 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.894 4.355 2.006 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.439 4.570 3.685 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.791 7.179 4.232 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.226 5.090 0.484 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.282 8.957 3.469 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.846 7.008 -0.316 1.00 6.52 H new ATOM 0 HH TYR A 59 4.650 9.877 0.935 1.00 7.63 H new ATOM 948 N ASN A 60 11.204 4.580 2.935 1.00 12.38 N ATOM 949 CA ASN A 60 12.267 3.763 3.444 1.00 13.94 C ATOM 950 C ASN A 60 11.818 2.290 3.774 1.00 14.16 C ATOM 951 O ASN A 60 12.200 1.651 4.731 1.00 14.26 O ATOM 952 CB ASN A 60 12.964 4.402 4.700 1.00 19.23 C ATOM 953 CG ASN A 60 13.423 5.758 4.414 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.200 6.637 5.264 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.095 5.971 3.265 1.00 24.09 N ATOM 0 H ASN A 60 11.354 4.893 1.976 1.00 12.38 H new ATOM 0 HA ASN A 60 12.992 3.712 2.632 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.266 4.420 5.537 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.810 3.785 5.003 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.456 6.900 3.050 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.243 5.203 2.611 1.00 24.09 H new ATOM 962 N ILE A 61 11.073 1.743 2.848 1.00 11.08 N ATOM 963 CA ILE A 61 10.554 0.382 2.977 1.00 11.78 C ATOM 964 C ILE A 61 11.472 -0.524 2.176 1.00 13.74 C ATOM 965 O ILE A 61 11.500 -0.536 0.948 1.00 14.60 O ATOM 966 CB ILE A 61 9.097 0.405 2.514 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.216 1.141 3.574 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.542 -0.957 2.204 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.929 1.745 3.068 1.00 11.42 C ATOM 0 H ILE A 61 10.804 2.214 1.985 1.00 11.08 H new ATOM 0 HA ILE A 61 10.547 -0.005 3.996 1.00 11.78 H new ATOM 0 HB ILE A 61 9.073 0.952 1.572 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.974 0.435 4.368 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.813 1.934 4.024 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.505 -0.863 1.882 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.129 -1.416 1.408 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.589 -1.581 3.096 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.405 2.228 3.893 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.152 2.484 2.298 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.300 0.961 2.647 1.00 11.42 H new ATOM 981 N GLN A 62 12.311 -1.267 2.952 1.00 13.97 N ATOM 982 CA GLN A 62 13.027 -2.409 2.439 1.00 15.52 C ATOM 983 C GLN A 62 12.099 -3.682 2.266 1.00 13.94 C ATOM 984 O GLN A 62 10.879 -3.714 2.499 1.00 12.15 O ATOM 985 CB GLN A 62 14.330 -2.873 3.149 1.00 19.53 C ATOM 986 CG GLN A 62 14.217 -3.252 4.614 1.00 26.38 C ATOM 987 CD GLN A 62 15.416 -4.075 5.099 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.350 -3.524 5.607 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.340 -5.376 4.808 1.00 32.71 N ATOM 0 H GLN A 62 12.490 -1.072 3.937 1.00 13.97 H new ATOM 0 HA GLN A 62 13.357 -1.990 1.488 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.725 -3.732 2.606 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.067 -2.075 3.061 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.134 -2.347 5.215 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.301 -3.823 4.769 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.498 -5.753 4.374 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.124 -5.993 5.020 1.00 32.71 H new ATOM 998 N LYS A 63 12.751 -4.795 1.728 1.00 11.73 N ATOM 999 CA LYS A 63 12.219 -6.164 1.756 1.00 11.97 C ATOM 1000 C LYS A 63 11.672 -6.732 3.045 1.00 10.41 C ATOM 1001 O LYS A 63 12.251 -6.632 4.151 1.00 9.59 O ATOM 1002 CB LYS A 63 13.142 -7.215 1.079 1.00 13.73 C ATOM 1003 CG LYS A 63 14.306 -7.740 1.957 1.00 16.98 C ATOM 1004 CD LYS A 63 15.015 -8.935 1.240 1.00 20.19 C ATOM 1005 CE LYS A 63 15.669 -8.523 -0.162 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.556 -9.554 -0.610 1.00 25.97 N ATOM 0 H LYS A 63 13.660 -4.729 1.270 1.00 11.73 H new ATOM 0 HA LYS A 63 11.326 -5.983 1.157 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.532 -8.063 0.769 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.561 -6.776 0.174 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.022 -6.940 2.144 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.926 -8.060 2.927 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.791 -9.335 1.893 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.292 -9.734 1.077 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.887 -8.357 -0.903 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.213 -7.584 -0.057 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.976 -9.279 -1.521 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.311 -9.692 0.092 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.026 -10.441 -0.727 1.00 25.97 H new ATOM 1020 N GLU A 64 10.522 -7.402 2.954 1.00 10.04 N ATOM 1021 CA GLU A 64 9.882 -8.135 4.006 1.00 10.94 C ATOM 1022 C GLU A 64 9.441 -7.237 5.063 1.00 9.74 C ATOM 1023 O GLU A 64 9.327 -7.634 6.231 1.00 9.42 O ATOM 1024 CB GLU A 64 10.631 -9.364 4.411 1.00 18.31 C ATOM 1025 CG GLU A 64 10.621 -10.470 3.320 1.00 24.16 C ATOM 1026 CD GLU A 64 11.483 -11.640 3.681 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.085 -11.699 4.804 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.646 -12.535 2.816 1.00 32.61 O ATOM 0 H GLU A 64 9.994 -7.439 2.082 1.00 10.04 H new ATOM 0 HA GLU A 64 8.958 -8.574 3.629 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.663 -9.095 4.638 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.196 -9.762 5.328 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.598 -10.812 3.163 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.965 -10.047 2.376 1.00 24.16 H new ATOM 1035 N SER A 65 9.065 -5.959 4.697 1.00 6.85 N ATOM 1036 CA SER A 65 8.488 -4.960 5.590 1.00 6.90 C ATOM 1037 C SER A 65 7.028 -5.199 5.610 1.00 4.72 C ATOM 1038 O SER A 65 6.404 -5.538 4.596 1.00 3.91 O ATOM 1039 CB SER A 65 8.810 -3.457 5.267 1.00 7.28 C ATOM 1040 OG SER A 65 10.210 -3.359 5.117 1.00 10.56 O ATOM 0 H SER A 65 9.170 -5.617 3.742 1.00 6.85 H new ATOM 0 HA SER A 65 8.956 -5.094 6.565 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.301 -3.141 4.356 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.461 -2.807 6.069 1.00 7.28 H new ATOM 0 HG SER A 65 10.439 -3.377 4.164 1.00 10.56 H new ATOM 1046 N THR A 66 6.448 -4.984 6.783 1.00 4.48 N ATOM 1047 CA THR A 66 4.994 -5.058 6.920 1.00 3.80 C ATOM 1048 C THR A 66 4.429 -3.657 6.745 1.00 4.60 C ATOM 1049 O THR A 66 4.899 -2.693 7.368 1.00 5.33 O ATOM 1050 CB THR A 66 4.561 -5.689 8.241 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.096 -7.002 8.288 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.027 -5.901 8.429 1.00 3.40 C ATOM 0 H THR A 66 6.949 -4.760 7.643 1.00 4.48 H new ATOM 0 HA THR A 66 4.595 -5.715 6.147 1.00 3.80 H new ATOM 0 HB THR A 66 4.907 -4.993 9.005 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.834 -7.432 9.129 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.839 -6.355 9.402 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.517 -4.939 8.373 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.651 -6.557 7.644 1.00 3.40 H new ATOM 1060 N LEU A 67 3.344 -3.539 5.974 1.00 4.17 N ATOM 1061 CA LEU A 67 2.487 -2.364 5.763 1.00 3.85 C ATOM 1062 C LEU A 67 1.083 -2.700 6.105 1.00 3.80 C ATOM 1063 O LEU A 67 0.713 -3.890 6.113 1.00 5.54 O ATOM 1064 CB LEU A 67 2.614 -1.994 4.255 1.00 7.18 C ATOM 1065 CG LEU A 67 3.701 -1.150 3.690 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.083 -1.860 3.723 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.324 -0.466 2.387 1.00 11.66 C ATOM 0 H LEU A 67 3.011 -4.336 5.431 1.00 4.17 H new ATOM 0 HA LEU A 67 2.786 -1.527 6.394 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.651 -2.939 3.713 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.678 -1.506 3.982 1.00 7.18 H new ATOM 0 HG LEU A 67 3.833 -0.303 4.364 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.841 -1.201 3.299 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.345 -2.099 4.754 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.034 -2.779 3.139 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.164 0.132 2.034 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.075 -1.219 1.639 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.462 0.181 2.552 1.00 11.66 H new ATOM 1079 N HIS A 68 0.214 -1.725 6.285 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.205 -1.927 6.529 1.00 4.17 C ATOM 1081 C HIS A 68 -1.977 -1.201 5.443 1.00 5.32 C ATOM 1082 O HIS A 68 -1.416 -0.427 4.627 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.540 -1.369 7.906 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.445 -2.422 8.993 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.354 -3.261 9.095 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.322 -2.851 9.928 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.590 -4.114 10.109 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.794 -3.941 10.608 1.00 16.30 N ATOM 0 H HIS A 68 0.481 -0.741 6.265 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.471 -2.984 6.507 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.861 -0.548 8.138 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.548 -0.954 7.892 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.290 -2.411 10.118 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.119 -4.846 10.467 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.245 -4.491 11.339 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.231 -1.531 5.256 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.109 -1.030 4.306 1.00 3.97 C ATOM 1098 C LEU A 69 -5.398 -0.812 5.021 1.00 5.07 C ATOM 1099 O LEU A 69 -5.928 -1.658 5.676 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.260 -2.068 3.179 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.566 -2.091 2.361 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.777 -0.802 1.562 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.471 -3.356 1.438 1.00 9.96 C ATOM 0 H LEU A 69 -3.679 -2.234 5.844 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.764 -0.100 3.854 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.436 -1.920 2.481 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.130 -3.056 3.621 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.436 -2.148 3.015 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.711 -0.869 1.003 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.823 0.046 2.245 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.948 -0.664 0.868 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.372 -3.430 0.829 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.600 -3.268 0.789 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.375 -4.250 2.054 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.897 0.479 4.869 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.189 0.772 5.437 1.00 6.26 C ATOM 1117 C VAL A 70 -8.080 1.406 4.365 1.00 9.22 C ATOM 1118 O VAL A 70 -7.733 2.278 3.569 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.134 1.663 6.676 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.276 0.989 7.786 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.604 3.070 6.345 1.00 8.54 C ATOM 0 H VAL A 70 -5.431 1.248 4.388 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.607 -0.176 5.775 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.152 1.784 7.047 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.245 1.634 8.664 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.719 0.030 8.056 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.263 0.830 7.416 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.580 3.673 7.253 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.597 2.992 5.935 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.259 3.542 5.613 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.320 0.856 4.273 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.317 1.388 3.328 1.00 16.06 C ATOM 1133 C LEU A 71 -10.738 2.818 3.552 1.00 18.09 C ATOM 1134 O LEU A 71 -10.869 3.214 4.710 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.554 0.425 3.374 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.205 -1.003 2.988 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.582 -1.826 2.964 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.556 -1.225 1.576 1.00 19.57 C ATOM 0 H LEU A 71 -9.640 0.064 4.830 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.848 1.420 2.345 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.976 0.432 4.379 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.325 0.800 2.701 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.459 -1.318 3.718 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.382 -2.862 2.691 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.042 -1.794 3.951 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.258 -1.382 2.234 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.358 -2.287 1.429 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.238 -0.873 0.802 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.620 -0.670 1.514 1.00 19.57 H new