USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -48:sc= 1.18 USER MOD Set 1.2: A 25 ASN : amide:sc= 2.04 K(o=3.2,f=-6!) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.0344 (180deg=-0.988) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1.25 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.899 (180deg=0.797) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.83 (180deg=0.748) USER MOD Single : A 31 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.07) USER MOD Single : A 41 GLN : amide:sc= 0.541 K(o=0.54,f=-1.4) 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 180:sc= -0.0593 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -172:sc= 1.65 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 89:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.145 1.233 -5.401 1.00 9.67 N ATOM 2 CA MET A 1 -13.064 1.924 -4.095 1.00 10.38 C ATOM 3 C MET A 1 -11.769 2.551 -3.711 1.00 9.62 C ATOM 4 O MET A 1 -10.702 2.023 -4.022 1.00 9.62 O ATOM 5 CB MET A 1 -13.712 1.023 -3.030 1.00 13.77 C ATOM 6 CG MET A 1 -12.977 -0.252 -2.610 1.00 16.29 C ATOM 7 SD MET A 1 -11.739 0.071 -1.319 1.00 17.17 S ATOM 8 CE MET A 1 -11.411 -1.672 -0.928 1.00 16.11 C ATOM 0 H1 MET A 1 -13.717 0.370 -5.302 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.587 1.863 -6.100 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.188 0.979 -5.719 1.00 9.67 H new ATOM 0 HA MET A 1 -13.638 2.845 -4.194 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.868 1.626 -2.136 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.697 0.733 -3.395 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.699 -0.983 -2.246 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.488 -0.692 -3.479 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.404 -1.771 -0.522 1.00 16.11 H new ATOM 0 HE2 MET A 1 -12.135 -2.022 -0.192 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.496 -2.271 -1.835 1.00 16.11 H new ATOM 20 N GLN A 2 -11.893 3.712 -3.043 1.00 9.27 N ATOM 21 CA GLN A 2 -10.728 4.394 -2.570 1.00 9.07 C ATOM 22 C GLN A 2 -10.140 3.888 -1.298 1.00 8.72 C ATOM 23 O GLN A 2 -10.803 3.629 -0.295 1.00 8.22 O ATOM 24 CB GLN A 2 -11.083 5.884 -2.432 1.00 14.46 C ATOM 25 CG GLN A 2 -11.865 6.548 -3.567 1.00 17.01 C ATOM 26 CD GLN A 2 -12.143 8.021 -3.305 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.990 8.505 -2.185 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.736 8.714 -4.314 1.00 19.49 N ATOM 0 H GLN A 2 -12.780 4.171 -2.833 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.946 4.211 -3.307 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.659 6.006 -1.515 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.153 6.437 -2.300 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.304 6.448 -4.496 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.810 6.023 -3.707 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.848 8.283 -5.232 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.069 9.665 -4.153 1.00 19.49 H new ATOM 37 N ILE A 3 -8.803 3.754 -1.358 1.00 5.87 N ATOM 38 CA ILE A 3 -7.998 3.562 -0.192 1.00 5.07 C ATOM 39 C ILE A 3 -6.950 4.619 -0.141 1.00 4.01 C ATOM 40 O ILE A 3 -6.489 5.085 -1.182 1.00 4.61 O ATOM 41 CB ILE A 3 -7.365 2.223 0.045 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.604 1.892 -1.250 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.407 1.132 0.345 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.803 0.590 -1.267 1.00 10.83 C ATOM 0 H ILE A 3 -8.273 3.779 -2.229 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.727 3.625 0.616 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.711 2.257 0.916 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.324 1.858 -2.068 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.920 2.714 -1.461 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.901 0.181 0.509 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.970 1.403 1.238 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.089 1.039 -0.500 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.315 0.476 -2.235 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.048 0.617 -0.481 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.474 -0.252 -1.097 1.00 10.83 H new ATOM 56 N PHE A 4 -6.521 5.025 1.067 1.00 4.55 N ATOM 57 CA PHE A 4 -5.605 6.098 1.300 1.00 4.68 C ATOM 58 C PHE A 4 -4.339 5.380 1.619 1.00 5.30 C ATOM 59 O PHE A 4 -4.352 4.473 2.449 1.00 5.58 O ATOM 60 CB PHE A 4 -6.003 6.930 2.531 1.00 4.83 C ATOM 61 CG PHE A 4 -7.257 7.659 2.193 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.317 8.629 1.219 1.00 6.69 C ATOM 63 CD2 PHE A 4 -8.367 7.525 2.994 1.00 8.34 C ATOM 64 CE1 PHE A 4 -8.441 9.401 1.045 1.00 9.10 C ATOM 65 CE2 PHE A 4 -9.465 8.348 2.912 1.00 10.61 C ATOM 66 CZ PHE A 4 -9.537 9.228 1.858 1.00 8.90 C ATOM 0 H PHE A 4 -6.831 4.579 1.930 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.556 6.784 0.455 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -6.156 6.285 3.396 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -5.210 7.631 2.792 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.463 8.787 0.577 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -8.376 6.731 3.726 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -8.464 10.148 0.265 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -10.248 8.305 3.654 1.00 10.61 H new ATOM 0 HZ PHE A 4 -10.447 9.779 1.670 1.00 8.90 H new ATOM 76 N VAL A 5 -3.201 5.766 1.015 1.00 4.44 N ATOM 77 CA VAL A 5 -1.888 5.269 1.289 1.00 3.87 C ATOM 78 C VAL A 5 -1.068 6.437 1.717 1.00 4.93 C ATOM 79 O VAL A 5 -0.746 7.311 0.914 1.00 6.84 O ATOM 80 CB VAL A 5 -1.262 4.460 0.192 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.085 3.924 0.707 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.202 3.299 -0.173 1.00 9.13 C ATOM 0 H VAL A 5 -3.199 6.476 0.283 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.950 4.527 2.085 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.097 5.066 -0.699 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.563 3.331 -0.073 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.731 4.760 0.974 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.083 3.301 1.585 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.755 2.705 -0.970 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.360 2.670 0.703 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -3.159 3.698 -0.511 1.00 9.13 H new ATOM 92 N LYS A 6 -0.700 6.517 3.009 1.00 6.04 N ATOM 93 CA LYS A 6 0.103 7.579 3.531 1.00 6.12 C ATOM 94 C LYS A 6 1.526 7.139 3.545 1.00 6.57 C ATOM 95 O LYS A 6 1.960 6.047 3.906 1.00 5.76 O ATOM 96 CB LYS A 6 -0.406 8.137 4.870 1.00 7.45 C ATOM 97 CG LYS A 6 0.346 9.312 5.500 1.00 11.12 C ATOM 98 CD LYS A 6 -0.126 9.524 6.940 1.00 14.54 C ATOM 99 CE LYS A 6 -1.601 9.824 7.216 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.847 10.336 8.582 1.00 20.55 N ATOM 0 H LYS A 6 -0.968 5.825 3.709 1.00 6.04 H new ATOM 0 HA LYS A 6 0.023 8.443 2.871 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.443 8.443 4.730 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.409 7.320 5.591 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.418 9.118 5.485 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.178 10.217 4.916 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.136 8.629 7.504 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.457 10.345 7.357 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.958 10.556 6.491 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.184 8.915 7.065 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.863 10.520 8.706 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.535 9.630 9.279 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.316 11.219 8.723 1.00 20.55 H new ATOM 114 N THR A 7 2.409 8.016 3.034 1.00 7.41 N ATOM 115 CA THR A 7 3.811 7.764 2.905 1.00 7.48 C ATOM 116 C THR A 7 4.622 8.198 4.077 1.00 8.75 C ATOM 117 O THR A 7 4.151 8.710 5.092 1.00 8.58 O ATOM 118 CB THR A 7 4.356 8.358 1.640 1.00 9.61 C ATOM 119 OG1 THR A 7 4.442 9.776 1.621 1.00 11.78 O ATOM 120 CG2 THR A 7 3.671 7.880 0.348 1.00 9.17 C ATOM 0 H THR A 7 2.135 8.939 2.697 1.00 7.41 H new ATOM 0 HA THR A 7 3.902 6.679 2.863 1.00 7.48 H new ATOM 0 HB THR A 7 5.372 7.962 1.653 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.808 10.070 0.761 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.135 8.365 -0.511 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.780 6.799 0.257 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.612 8.136 0.381 1.00 9.17 H new ATOM 128 N LEU A 8 5.927 7.886 3.999 1.00 9.84 N ATOM 129 CA LEU A 8 6.819 8.234 5.061 1.00 14.15 C ATOM 130 C LEU A 8 7.176 9.680 5.096 1.00 17.37 C ATOM 131 O LEU A 8 7.556 10.169 6.159 1.00 17.01 O ATOM 132 CB LEU A 8 8.154 7.474 4.998 1.00 16.63 C ATOM 133 CG LEU A 8 7.985 5.967 5.259 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.281 5.229 4.884 1.00 18.59 C ATOM 135 CD2 LEU A 8 7.561 5.737 6.720 1.00 19.31 C ATOM 0 H LEU A 8 6.360 7.400 3.214 1.00 9.84 H new ATOM 0 HA LEU A 8 6.252 7.961 5.951 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.607 7.621 4.018 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.842 7.892 5.733 1.00 16.63 H new ATOM 0 HG LEU A 8 7.193 5.558 4.632 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.159 4.162 5.070 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.500 5.391 3.828 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.105 5.610 5.488 1.00 18.59 H new ATOM 0 HD21 LEU A 8 7.442 4.669 6.901 1.00 19.31 H new ATOM 0 HD22 LEU A 8 8.325 6.135 7.388 1.00 19.31 H new ATOM 0 HD23 LEU A 8 6.615 6.244 6.908 1.00 19.31 H new ATOM 147 N THR A 9 7.179 10.410 3.966 1.00 18.33 N ATOM 148 CA THR A 9 7.487 11.805 3.914 1.00 19.24 C ATOM 149 C THR A 9 6.248 12.562 4.248 1.00 19.48 C ATOM 150 O THR A 9 6.358 13.682 4.743 1.00 23.14 O ATOM 151 CB THR A 9 8.102 12.509 2.741 1.00 18.97 C ATOM 152 OG1 THR A 9 7.298 12.424 1.573 1.00 20.24 O ATOM 153 CG2 THR A 9 9.505 11.957 2.435 1.00 19.70 C ATOM 0 H THR A 9 6.958 10.012 3.053 1.00 18.33 H new ATOM 0 HA THR A 9 8.330 11.803 4.604 1.00 19.24 H new ATOM 0 HB THR A 9 8.178 13.559 3.024 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.739 12.898 0.837 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.926 12.486 1.580 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.149 12.099 3.303 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.436 10.894 2.205 1.00 19.70 H new ATOM 161 N GLY A 10 5.013 12.057 4.076 1.00 19.43 N ATOM 162 CA GLY A 10 3.853 12.582 4.727 1.00 18.74 C ATOM 163 C GLY A 10 2.876 12.975 3.673 1.00 17.62 C ATOM 164 O GLY A 10 2.397 14.099 3.528 1.00 19.74 O ATOM 0 H GLY A 10 4.816 11.262 3.468 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.418 11.836 5.392 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.117 13.442 5.343 1.00 18.74 H new ATOM 168 N LYS A 11 2.554 12.065 2.737 1.00 13.56 N ATOM 169 CA LYS A 11 1.706 12.372 1.627 1.00 11.91 C ATOM 170 C LYS A 11 0.711 11.262 1.624 1.00 10.18 C ATOM 171 O LYS A 11 1.041 10.086 1.769 1.00 9.10 O ATOM 172 CB LYS A 11 2.467 12.301 0.293 1.00 13.43 C ATOM 173 CG LYS A 11 1.655 12.769 -0.917 1.00 16.69 C ATOM 174 CD LYS A 11 2.401 12.775 -2.253 1.00 17.92 C ATOM 175 CE LYS A 11 1.746 13.687 -3.292 1.00 20.81 C ATOM 176 NZ LYS A 11 2.470 13.874 -4.569 1.00 21.93 N ATOM 0 H LYS A 11 2.887 11.101 2.751 1.00 13.56 H new ATOM 0 HA LYS A 11 1.287 13.374 1.720 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.369 12.909 0.369 1.00 13.43 H new ATOM 0 HB3 LYS A 11 2.789 11.273 0.125 1.00 13.43 H new ATOM 0 HG2 LYS A 11 0.779 12.128 -1.014 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.292 13.778 -0.720 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.429 13.098 -2.089 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.445 11.759 -2.644 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.757 13.289 -3.518 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.599 14.667 -2.839 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 1.926 14.510 -5.186 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 3.405 14.290 -4.381 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.589 12.954 -5.039 1.00 21.93 H new ATOM 190 N THR A 12 -0.542 11.715 1.444 1.00 9.63 N ATOM 191 CA THR A 12 -1.705 10.885 1.392 1.00 9.85 C ATOM 192 C THR A 12 -2.169 10.818 -0.023 1.00 11.66 C ATOM 193 O THR A 12 -2.733 11.727 -0.630 1.00 12.33 O ATOM 194 CB THR A 12 -2.820 11.327 2.293 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.469 11.204 3.664 1.00 10.91 O ATOM 196 CG2 THR A 12 -4.084 10.485 2.050 1.00 9.63 C ATOM 0 H THR A 12 -0.754 12.706 1.329 1.00 9.63 H new ATOM 0 HA THR A 12 -1.419 9.901 1.762 1.00 9.85 H new ATOM 0 HB THR A 12 -3.010 12.375 2.060 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.218 11.502 4.221 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.880 10.823 2.714 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.403 10.599 1.014 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.866 9.436 2.249 1.00 9.63 H new ATOM 204 N ILE A 13 -1.944 9.639 -0.629 1.00 10.42 N ATOM 205 CA ILE A 13 -2.285 9.245 -1.961 1.00 11.84 C ATOM 206 C ILE A 13 -3.540 8.442 -1.958 1.00 10.55 C ATOM 207 O ILE A 13 -3.783 7.566 -1.130 1.00 11.92 O ATOM 208 CB ILE A 13 -1.215 8.443 -2.641 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.040 9.318 -2.485 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.487 8.217 -4.138 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.369 8.763 -2.998 1.00 16.46 C ATOM 0 H ILE A 13 -1.473 8.884 -0.131 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.412 10.173 -2.519 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.138 7.447 -2.205 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -0.146 10.263 -2.995 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.159 9.545 -1.426 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.676 7.631 -4.571 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.428 7.681 -4.260 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.550 9.179 -4.646 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.161 9.491 -2.819 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.603 7.836 -2.474 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.292 8.566 -4.067 1.00 16.46 H new ATOM 223 N THR A 14 -4.454 8.797 -2.879 1.00 9.39 N ATOM 224 CA THR A 14 -5.678 8.088 -3.088 1.00 9.63 C ATOM 225 C THR A 14 -5.481 7.179 -4.251 1.00 11.20 C ATOM 226 O THR A 14 -5.239 7.607 -5.379 1.00 11.63 O ATOM 227 CB THR A 14 -6.900 8.898 -3.406 1.00 10.38 C ATOM 228 OG1 THR A 14 -7.063 9.868 -2.381 1.00 16.30 O ATOM 229 CG2 THR A 14 -8.213 8.099 -3.453 1.00 11.66 C ATOM 0 H THR A 14 -4.338 9.601 -3.496 1.00 9.39 H new ATOM 0 HA THR A 14 -5.875 7.607 -2.130 1.00 9.63 H new ATOM 0 HB THR A 14 -6.730 9.313 -4.400 1.00 10.38 H new ATOM 0 HG1 THR A 14 -7.856 10.412 -2.568 1.00 16.30 H new ATOM 0 HG21 THR A 14 -9.039 8.770 -3.690 1.00 11.66 H new ATOM 0 HG22 THR A 14 -8.142 7.327 -4.219 1.00 11.66 H new ATOM 0 HG23 THR A 14 -8.390 7.633 -2.484 1.00 11.66 H new ATOM 237 N LEU A 15 -5.483 5.852 -4.033 1.00 8.29 N ATOM 238 CA LEU A 15 -5.468 4.870 -5.073 1.00 9.03 C ATOM 239 C LEU A 15 -6.855 4.343 -5.206 1.00 8.59 C ATOM 240 O LEU A 15 -7.808 4.657 -4.493 1.00 7.79 O ATOM 241 CB LEU A 15 -4.589 3.650 -4.752 1.00 11.08 C ATOM 242 CG LEU A 15 -3.079 3.939 -4.758 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.530 4.636 -6.015 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.548 4.606 -3.478 1.00 15.88 C ATOM 0 H LEU A 15 -5.496 5.447 -3.097 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.077 5.356 -5.967 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.869 3.263 -3.772 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.800 2.864 -5.477 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.674 2.928 -4.786 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.456 4.788 -5.907 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.722 4.014 -6.889 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.023 5.600 -6.141 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.475 4.772 -3.572 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.051 5.562 -3.330 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.741 3.958 -2.623 1.00 15.88 H new ATOM 256 N GLU A 16 -7.170 3.648 -6.313 1.00 11.04 N ATOM 257 CA GLU A 16 -8.486 3.174 -6.613 1.00 11.50 C ATOM 258 C GLU A 16 -8.257 1.719 -6.835 1.00 10.13 C ATOM 259 O GLU A 16 -7.665 1.260 -7.810 1.00 9.83 O ATOM 260 CB GLU A 16 -9.217 3.838 -7.792 1.00 17.22 C ATOM 261 CG GLU A 16 -9.474 5.338 -7.629 1.00 23.33 C ATOM 262 CD GLU A 16 -10.339 5.717 -8.823 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.548 5.375 -8.913 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.785 6.418 -9.711 1.00 28.90 O ATOM 0 H GLU A 16 -6.482 3.407 -7.027 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.173 3.419 -5.803 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.632 3.681 -8.698 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.173 3.334 -7.938 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.982 5.552 -6.689 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.541 5.901 -7.622 1.00 23.33 H new ATOM 271 N VAL A 17 -8.685 0.908 -5.851 1.00 8.99 N ATOM 272 CA VAL A 17 -8.650 -0.511 -6.026 1.00 8.85 C ATOM 273 C VAL A 17 -10.038 -1.035 -6.165 1.00 8.04 C ATOM 274 O VAL A 17 -11.043 -0.355 -5.962 1.00 8.99 O ATOM 275 CB VAL A 17 -8.043 -1.012 -4.749 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.614 -0.456 -4.638 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.918 -0.653 -3.536 1.00 10.54 C ATOM 0 H VAL A 17 -9.048 1.225 -4.952 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.095 -0.820 -6.912 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.991 -2.101 -4.760 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.156 -0.810 -3.714 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.024 -0.796 -5.489 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.647 0.633 -4.632 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.451 -1.030 -2.626 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -9.021 0.430 -3.469 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.903 -1.104 -3.652 1.00 10.54 H new ATOM 287 N GLU A 18 -10.148 -2.350 -6.427 1.00 7.29 N ATOM 288 CA GLU A 18 -11.284 -3.208 -6.294 1.00 7.08 C ATOM 289 C GLU A 18 -10.919 -4.205 -5.249 1.00 6.45 C ATOM 290 O GLU A 18 -9.746 -4.548 -5.392 1.00 5.28 O ATOM 291 CB GLU A 18 -11.432 -3.961 -7.627 1.00 10.28 C ATOM 292 CG GLU A 18 -12.253 -3.245 -8.701 1.00 12.65 C ATOM 293 CD GLU A 18 -13.725 -3.078 -8.351 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.373 -4.148 -8.199 1.00 18.17 O ATOM 295 OE2 GLU A 18 -14.240 -1.928 -8.375 1.00 14.33 O ATOM 0 H GLU A 18 -9.342 -2.870 -6.773 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.197 -2.667 -6.044 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.437 -4.157 -8.026 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.892 -4.929 -7.428 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.819 -2.261 -8.879 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.174 -3.802 -9.635 1.00 12.65 H new ATOM 302 N PRO A 19 -11.638 -4.764 -4.320 1.00 7.24 N ATOM 303 CA PRO A 19 -11.183 -5.774 -3.410 1.00 7.07 C ATOM 304 C PRO A 19 -10.692 -7.057 -3.987 1.00 6.65 C ATOM 305 O PRO A 19 -9.972 -7.769 -3.288 1.00 6.37 O ATOM 306 CB PRO A 19 -12.408 -6.109 -2.562 1.00 7.61 C ATOM 307 CG PRO A 19 -13.302 -4.863 -2.675 1.00 8.16 C ATOM 308 CD PRO A 19 -13.012 -4.343 -4.092 1.00 7.49 C ATOM 0 HA PRO A 19 -10.315 -5.361 -2.897 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.917 -6.999 -2.933 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.132 -6.308 -1.526 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.355 -5.111 -2.546 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.054 -4.121 -1.916 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.693 -4.772 -4.827 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.118 -3.260 -4.154 1.00 7.49 H new ATOM 316 N SER A 20 -10.935 -7.242 -5.297 1.00 6.80 N ATOM 317 CA SER A 20 -10.421 -8.280 -6.134 1.00 6.28 C ATOM 318 C SER A 20 -8.988 -8.161 -6.524 1.00 8.45 C ATOM 319 O SER A 20 -8.351 -9.181 -6.786 1.00 7.26 O ATOM 320 CB SER A 20 -11.267 -8.515 -7.396 1.00 8.57 C ATOM 321 OG SER A 20 -12.526 -9.066 -7.038 1.00 11.13 O ATOM 0 H SER A 20 -11.545 -6.608 -5.813 1.00 6.80 H new ATOM 0 HA SER A 20 -10.490 -9.146 -5.475 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.410 -7.575 -7.929 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.745 -9.190 -8.074 1.00 8.57 H new ATOM 0 HG SER A 20 -13.061 -9.212 -7.846 1.00 11.13 H new ATOM 327 N ASP A 21 -8.459 -6.931 -6.394 1.00 7.50 N ATOM 328 CA ASP A 21 -7.105 -6.536 -6.627 1.00 7.70 C ATOM 329 C ASP A 21 -6.210 -7.029 -5.543 1.00 7.08 C ATOM 330 O ASP A 21 -6.657 -7.417 -4.464 1.00 8.11 O ATOM 331 CB ASP A 21 -6.952 -5.012 -6.771 1.00 11.00 C ATOM 332 CG ASP A 21 -7.605 -4.455 -8.027 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.879 -5.224 -8.987 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.852 -3.220 -7.997 1.00 14.36 O ATOM 0 H ASP A 21 -9.034 -6.142 -6.098 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.812 -6.991 -7.573 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.388 -4.526 -5.898 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.892 -4.760 -6.779 1.00 11.00 H new ATOM 339 N THR A 22 -4.923 -7.149 -5.915 1.00 5.37 N ATOM 340 CA THR A 22 -3.919 -7.616 -5.011 1.00 6.01 C ATOM 341 C THR A 22 -2.966 -6.574 -4.532 1.00 8.01 C ATOM 342 O THR A 22 -2.914 -5.492 -5.114 1.00 8.11 O ATOM 343 CB THR A 22 -3.154 -8.768 -5.592 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.169 -8.390 -6.542 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.109 -9.748 -6.294 1.00 9.65 C ATOM 0 H THR A 22 -4.577 -6.921 -6.847 1.00 5.37 H new ATOM 0 HA THR A 22 -4.480 -7.939 -4.134 1.00 6.01 H new ATOM 0 HB THR A 22 -2.650 -9.226 -4.741 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.558 -7.759 -7.183 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.538 -10.578 -6.710 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.832 -10.130 -5.574 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.635 -9.231 -7.097 1.00 9.65 H new ATOM 353 N ILE A 23 -2.197 -6.796 -3.451 1.00 8.32 N ATOM 354 CA ILE A 23 -1.267 -5.855 -2.907 1.00 9.92 C ATOM 355 C ILE A 23 -0.192 -5.571 -3.899 1.00 10.01 C ATOM 356 O ILE A 23 0.284 -4.440 -3.820 1.00 8.71 O ATOM 357 CB ILE A 23 -0.788 -6.429 -1.607 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.885 -6.328 -0.533 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.553 -5.815 -1.173 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.092 -4.925 0.035 1.00 12.30 C ATOM 0 H ILE A 23 -2.225 -7.673 -2.932 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.714 -4.882 -2.702 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.587 -7.491 -1.749 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.826 -6.675 -0.960 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.637 -7.004 0.285 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.866 -6.257 -0.227 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.308 -6.014 -1.934 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.437 -4.738 -1.050 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.883 -4.949 0.784 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.167 -4.579 0.495 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.374 -4.245 -0.769 1.00 12.30 H new ATOM 372 N GLU A 24 0.120 -6.488 -4.832 1.00 9.54 N ATOM 373 CA GLU A 24 0.996 -6.278 -5.942 1.00 11.81 C ATOM 374 C GLU A 24 0.451 -5.173 -6.781 1.00 11.14 C ATOM 375 O GLU A 24 1.230 -4.343 -7.247 1.00 10.62 O ATOM 376 CB GLU A 24 1.145 -7.521 -6.835 1.00 19.24 C ATOM 377 CG GLU A 24 2.260 -7.544 -7.883 1.00 27.76 C ATOM 378 CD GLU A 24 2.311 -8.911 -8.551 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.466 -9.102 -9.466 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.119 -9.813 -8.204 1.00 36.51 O ATOM 0 H GLU A 24 -0.263 -7.433 -4.809 1.00 9.54 H new ATOM 0 HA GLU A 24 1.978 -6.040 -5.533 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.288 -8.382 -6.182 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.199 -7.669 -7.356 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.085 -6.770 -8.630 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.218 -7.323 -7.413 1.00 27.76 H new ATOM 387 N ASN A 25 -0.846 -5.077 -7.122 1.00 9.43 N ATOM 388 CA ASN A 25 -1.419 -4.081 -7.973 1.00 10.96 C ATOM 389 C ASN A 25 -1.299 -2.717 -7.386 1.00 9.68 C ATOM 390 O ASN A 25 -0.874 -1.814 -8.105 1.00 9.33 O ATOM 391 CB ASN A 25 -2.913 -4.327 -8.240 1.00 16.78 C ATOM 392 CG ASN A 25 -3.186 -5.659 -8.924 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.483 -6.626 -8.223 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.038 -5.688 -10.275 1.00 24.70 N ATOM 0 H ASN A 25 -1.541 -5.741 -6.780 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.858 -4.148 -8.905 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.455 -4.293 -7.295 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.303 -3.520 -8.861 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.175 -6.561 -10.784 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.790 -4.837 -10.779 1.00 24.70 H new ATOM 401 N VAL A 26 -1.633 -2.484 -6.104 1.00 6.52 N ATOM 402 CA VAL A 26 -1.417 -1.242 -5.429 1.00 5.53 C ATOM 403 C VAL A 26 0.021 -0.857 -5.359 1.00 4.42 C ATOM 404 O VAL A 26 0.361 0.308 -5.559 1.00 3.40 O ATOM 405 CB VAL A 26 -1.879 -1.350 -4.006 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.327 -0.019 -3.378 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.204 -2.130 -3.960 1.00 8.12 C ATOM 0 H VAL A 26 -2.072 -3.190 -5.513 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.970 -0.497 -6.001 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.024 -1.785 -3.489 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.644 -0.191 -2.349 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.496 0.686 -3.388 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.159 0.392 -3.951 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.543 -2.211 -2.927 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.956 -1.605 -4.549 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.053 -3.128 -4.371 1.00 8.12 H new ATOM 417 N LYS A 27 0.954 -1.776 -5.050 1.00 2.64 N ATOM 418 CA LYS A 27 2.367 -1.578 -5.140 1.00 4.14 C ATOM 419 C LYS A 27 2.861 -1.236 -6.503 1.00 5.58 C ATOM 420 O LYS A 27 3.775 -0.415 -6.548 1.00 4.11 O ATOM 421 CB LYS A 27 3.069 -2.800 -4.523 1.00 3.97 C ATOM 422 CG LYS A 27 2.857 -2.638 -3.016 1.00 7.45 C ATOM 423 CD LYS A 27 3.380 -3.776 -2.137 1.00 9.02 C ATOM 424 CE LYS A 27 4.888 -4.033 -2.182 1.00 12.90 C ATOM 425 NZ LYS A 27 5.296 -5.086 -1.225 1.00 15.47 N ATOM 0 H LYS A 27 0.707 -2.709 -4.719 1.00 2.64 H new ATOM 0 HA LYS A 27 2.621 -0.686 -4.568 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.638 -3.732 -4.887 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.129 -2.819 -4.776 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.337 -1.712 -2.700 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.789 -2.524 -2.830 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.100 -3.567 -1.105 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.868 -4.694 -2.426 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.176 -4.328 -3.191 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.421 -3.110 -1.955 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.332 -5.091 -1.136 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.869 -4.895 -0.296 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.974 -6.013 -1.570 1.00 15.47 H new ATOM 439 N ALA A 28 2.257 -1.717 -7.604 1.00 6.61 N ATOM 440 CA ALA A 28 2.537 -1.269 -8.933 1.00 7.74 C ATOM 441 C ALA A 28 2.161 0.163 -9.101 1.00 9.17 C ATOM 442 O ALA A 28 2.999 0.935 -9.564 1.00 11.45 O ATOM 443 CB ALA A 28 1.727 -2.064 -9.970 1.00 7.68 C ATOM 0 H ALA A 28 1.545 -2.447 -7.567 1.00 6.61 H new ATOM 0 HA ALA A 28 3.606 -1.412 -9.089 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.961 -1.701 -10.971 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.983 -3.121 -9.899 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.662 -1.934 -9.777 1.00 7.68 H new ATOM 449 N LYS A 29 0.915 0.491 -8.714 1.00 8.96 N ATOM 450 CA LYS A 29 0.461 1.845 -8.783 1.00 7.90 C ATOM 451 C LYS A 29 1.202 2.848 -7.968 1.00 6.92 C ATOM 452 O LYS A 29 1.407 3.953 -8.467 1.00 6.87 O ATOM 453 CB LYS A 29 -0.990 1.977 -8.289 1.00 10.28 C ATOM 454 CG LYS A 29 -1.996 1.403 -9.288 1.00 14.94 C ATOM 455 CD LYS A 29 -3.423 1.400 -8.736 1.00 19.69 C ATOM 456 CE LYS A 29 -4.337 0.813 -9.813 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.664 0.360 -9.339 1.00 24.98 N ATOM 0 H LYS A 29 0.228 -0.174 -8.357 1.00 8.96 H new ATOM 0 HA LYS A 29 0.609 2.062 -9.841 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.095 1.462 -7.334 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.217 3.028 -8.111 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.966 1.987 -10.208 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.707 0.385 -9.548 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.479 0.808 -7.823 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.736 2.412 -8.479 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.484 1.563 -10.590 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.828 -0.031 -10.278 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.284 0.187 -10.156 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.556 -0.519 -8.794 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.085 1.093 -8.734 1.00 24.98 H new ATOM 471 N ILE A 30 1.654 2.430 -6.772 1.00 4.57 N ATOM 472 CA ILE A 30 2.476 3.239 -5.926 1.00 5.58 C ATOM 473 C ILE A 30 3.843 3.411 -6.494 1.00 7.26 C ATOM 474 O ILE A 30 4.487 4.459 -6.470 1.00 9.46 O ATOM 475 CB ILE A 30 2.526 2.727 -4.517 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.187 2.910 -3.783 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.668 3.388 -3.727 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.001 1.971 -2.593 1.00 2.00 C ATOM 0 H ILE A 30 1.444 1.510 -6.384 1.00 4.57 H new ATOM 0 HA ILE A 30 2.009 4.223 -5.885 1.00 5.58 H new ATOM 0 HB ILE A 30 2.720 1.656 -4.579 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.112 3.940 -3.436 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.372 2.752 -4.489 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.680 2.998 -2.709 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.620 3.169 -4.211 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.515 4.467 -3.700 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.034 2.161 -2.128 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.042 0.937 -2.935 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.794 2.144 -1.865 1.00 2.00 H new ATOM 490 N GLN A 31 4.519 2.423 -7.107 1.00 7.06 N ATOM 491 CA GLN A 31 5.721 2.575 -7.866 1.00 8.67 C ATOM 492 C GLN A 31 5.583 3.490 -9.033 1.00 10.90 C ATOM 493 O GLN A 31 6.471 4.288 -9.331 1.00 9.63 O ATOM 494 CB GLN A 31 6.011 1.156 -8.385 1.00 9.12 C ATOM 495 CG GLN A 31 7.290 0.850 -9.166 1.00 10.76 C ATOM 496 CD GLN A 31 7.470 -0.649 -9.355 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.628 -1.468 -8.990 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.599 -1.087 -9.976 1.00 14.76 N ATOM 0 H GLN A 31 4.204 1.454 -7.069 1.00 7.06 H new ATOM 0 HA GLN A 31 6.504 3.011 -7.246 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.997 0.491 -7.521 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.173 0.871 -9.021 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.252 1.341 -10.139 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.150 1.259 -8.636 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.304 -0.417 -10.283 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.740 -2.085 -10.134 1.00 14.76 H new ATOM 507 N ASP A 32 4.463 3.543 -9.775 1.00 10.93 N ATOM 508 CA ASP A 32 4.387 4.505 -10.831 1.00 14.01 C ATOM 509 C ASP A 32 4.162 5.863 -10.260 1.00 14.04 C ATOM 510 O ASP A 32 4.550 6.848 -10.887 1.00 13.39 O ATOM 511 CB ASP A 32 3.293 4.077 -11.824 1.00 18.01 C ATOM 512 CG ASP A 32 3.260 4.943 -13.075 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.302 5.232 -13.723 1.00 25.17 O ATOM 514 OD2 ASP A 32 2.137 5.401 -13.418 1.00 26.29 O ATOM 0 H ASP A 32 3.643 2.949 -9.654 1.00 10.93 H new ATOM 0 HA ASP A 32 5.326 4.551 -11.383 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.456 3.038 -12.111 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.322 4.123 -11.330 1.00 18.01 H new ATOM 519 N LYS A 33 3.489 6.007 -9.105 1.00 14.22 N ATOM 520 CA LYS A 33 3.397 7.331 -8.574 1.00 14.00 C ATOM 521 C LYS A 33 4.604 7.900 -7.910 1.00 12.37 C ATOM 522 O LYS A 33 5.042 9.028 -8.129 1.00 12.17 O ATOM 523 CB LYS A 33 2.267 7.145 -7.547 1.00 18.62 C ATOM 524 CG LYS A 33 1.882 8.483 -6.913 1.00 24.00 C ATOM 525 CD LYS A 33 1.425 9.524 -7.937 1.00 27.61 C ATOM 526 CE LYS A 33 0.808 10.756 -7.271 1.00 27.64 C ATOM 527 NZ LYS A 33 0.028 11.533 -8.260 1.00 30.06 N ATOM 0 H LYS A 33 3.037 5.265 -8.570 1.00 14.22 H new ATOM 0 HA LYS A 33 3.246 8.052 -9.378 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.397 6.704 -8.033 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.586 6.448 -6.771 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.083 8.319 -6.190 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.736 8.876 -6.361 1.00 24.00 H new ATOM 0 HD2 LYS A 33 2.275 9.830 -8.546 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.696 9.073 -8.610 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.163 10.449 -6.448 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.593 11.380 -6.845 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.386 12.367 -7.797 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.654 11.840 -9.032 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.732 10.938 -8.647 1.00 30.06 H new ATOM 541 N GLU A 34 5.201 7.078 -7.029 1.00 10.11 N ATOM 542 CA GLU A 34 6.264 7.540 -6.191 1.00 10.07 C ATOM 543 C GLU A 34 7.616 7.152 -6.682 1.00 9.32 C ATOM 544 O GLU A 34 8.615 7.819 -6.416 1.00 11.61 O ATOM 545 CB GLU A 34 6.281 6.971 -4.762 1.00 14.77 C ATOM 546 CG GLU A 34 5.410 7.756 -3.780 1.00 18.75 C ATOM 547 CD GLU A 34 5.946 9.126 -3.388 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.857 9.160 -2.518 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.409 10.189 -3.799 1.00 25.19 O ATOM 0 H GLU A 34 4.950 6.098 -6.897 1.00 10.11 H new ATOM 0 HA GLU A 34 6.067 8.612 -6.206 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.942 5.936 -4.788 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.308 6.961 -4.396 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.420 7.883 -4.219 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.284 7.161 -2.876 1.00 18.75 H new ATOM 556 N GLY A 35 7.804 6.053 -7.434 1.00 7.22 N ATOM 557 CA GLY A 35 9.040 5.670 -8.045 1.00 6.29 C ATOM 558 C GLY A 35 9.850 4.626 -7.358 1.00 6.93 C ATOM 559 O GLY A 35 10.962 4.344 -7.801 1.00 7.41 O ATOM 0 H GLY A 35 7.050 5.394 -7.627 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.822 5.318 -9.053 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.657 6.563 -8.145 1.00 6.29 H new ATOM 563 N ILE A 36 9.367 3.982 -6.280 1.00 5.86 N ATOM 564 CA ILE A 36 10.187 3.154 -5.451 1.00 6.07 C ATOM 565 C ILE A 36 9.936 1.752 -5.886 1.00 6.36 C ATOM 566 O ILE A 36 8.771 1.407 -6.080 1.00 6.18 O ATOM 567 CB ILE A 36 9.962 3.308 -3.976 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.917 4.771 -3.505 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.918 2.496 -3.085 1.00 7.36 C ATOM 570 CD1 ILE A 36 11.113 5.583 -4.001 1.00 9.49 C ATOM 0 H ILE A 36 8.394 4.037 -5.980 1.00 5.86 H new ATOM 0 HA ILE A 36 11.226 3.457 -5.581 1.00 6.07 H new ATOM 0 HB ILE A 36 8.969 2.878 -3.845 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.996 5.235 -3.858 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.890 4.798 -2.416 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.677 2.673 -2.037 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.810 1.435 -3.308 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.945 2.805 -3.278 1.00 7.36 H new ATOM 0 HD11 ILE A 36 11.032 6.608 -3.640 1.00 9.49 H new ATOM 0 HD12 ILE A 36 12.035 5.139 -3.626 1.00 9.49 H new ATOM 0 HD13 ILE A 36 11.127 5.582 -5.091 1.00 9.49 H new ATOM 582 N PRO A 37 10.872 0.863 -6.042 1.00 8.65 N ATOM 583 CA PRO A 37 10.578 -0.504 -6.359 1.00 9.18 C ATOM 584 C PRO A 37 9.854 -1.340 -5.360 1.00 9.85 C ATOM 585 O PRO A 37 9.934 -1.003 -4.180 1.00 8.51 O ATOM 586 CB PRO A 37 11.982 -1.085 -6.516 1.00 11.42 C ATOM 587 CG PRO A 37 12.851 0.041 -7.099 1.00 9.27 C ATOM 588 CD PRO A 37 12.246 1.233 -6.341 1.00 8.33 C ATOM 0 HA PRO A 37 9.892 -0.517 -7.206 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.374 -1.421 -5.556 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.973 -1.951 -7.177 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.912 -0.096 -6.890 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.749 0.134 -8.180 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.803 1.437 -5.426 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.283 2.139 -6.946 1.00 8.33 H new ATOM 596 N PRO A 38 9.117 -2.378 -5.624 1.00 8.71 N ATOM 597 CA PRO A 38 8.068 -2.815 -4.749 1.00 9.08 C ATOM 598 C PRO A 38 8.673 -3.753 -3.762 1.00 9.28 C ATOM 599 O PRO A 38 8.000 -4.193 -2.831 1.00 6.50 O ATOM 600 CB PRO A 38 6.989 -3.513 -5.573 1.00 10.31 C ATOM 601 CG PRO A 38 7.931 -4.072 -6.651 1.00 10.81 C ATOM 602 CD PRO A 38 8.995 -2.999 -6.934 1.00 12.00 C ATOM 0 HA PRO A 38 7.607 -1.977 -4.227 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.457 -4.287 -5.021 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.237 -2.830 -5.968 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.399 -4.996 -6.310 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.377 -4.311 -7.558 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.936 -3.431 -7.275 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.674 -2.291 -7.698 1.00 12.00 H new ATOM 610 N ASP A 39 9.944 -4.182 -3.863 1.00 11.20 N ATOM 611 CA ASP A 39 10.792 -4.873 -2.943 1.00 14.96 C ATOM 612 C ASP A 39 11.435 -3.950 -1.966 1.00 13.99 C ATOM 613 O ASP A 39 11.712 -4.345 -0.835 1.00 13.75 O ATOM 614 CB ASP A 39 11.786 -5.693 -3.783 1.00 24.16 C ATOM 615 CG ASP A 39 12.544 -4.883 -4.824 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.870 -4.228 -5.664 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.802 -4.945 -4.862 1.00 35.55 O ATOM 0 H ASP A 39 10.450 -4.013 -4.732 1.00 11.20 H new ATOM 0 HA ASP A 39 10.217 -5.549 -2.310 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.505 -6.166 -3.114 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.244 -6.494 -4.287 1.00 24.16 H new ATOM 622 N GLN A 40 11.485 -2.635 -2.242 1.00 11.60 N ATOM 623 CA GLN A 40 11.801 -1.621 -1.284 1.00 10.76 C ATOM 624 C GLN A 40 10.619 -1.157 -0.505 1.00 8.01 C ATOM 625 O GLN A 40 10.774 -0.648 0.604 1.00 8.96 O ATOM 626 CB GLN A 40 12.478 -0.392 -1.915 1.00 11.14 C ATOM 627 CG GLN A 40 13.948 -0.680 -2.223 1.00 14.85 C ATOM 628 CD GLN A 40 14.891 -0.807 -1.034 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.995 0.178 -0.304 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.475 -2.012 -0.798 1.00 18.16 N ATOM 0 H GLN A 40 11.297 -2.262 -3.173 1.00 11.60 H new ATOM 0 HA GLN A 40 12.500 -2.110 -0.606 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.957 -0.115 -2.832 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.404 0.458 -1.237 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.999 -1.606 -2.796 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.321 0.115 -2.868 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.340 -2.781 -1.454 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.048 -2.147 0.035 1.00 18.16 H new ATOM 639 N GLN A 41 9.428 -1.320 -1.108 1.00 6.52 N ATOM 640 CA GLN A 41 8.142 -0.934 -0.618 1.00 3.87 C ATOM 641 C GLN A 41 7.528 -1.929 0.305 1.00 4.79 C ATOM 642 O GLN A 41 7.622 -3.145 0.143 1.00 6.34 O ATOM 643 CB GLN A 41 7.051 -0.798 -1.694 1.00 4.20 C ATOM 644 CG GLN A 41 7.178 0.411 -2.623 1.00 3.20 C ATOM 645 CD GLN A 41 6.042 0.412 -3.637 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.911 0.245 -3.184 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.328 0.421 -4.967 1.00 7.13 N ATOM 0 H GLN A 41 9.362 -1.764 -2.024 1.00 6.52 H new ATOM 0 HA GLN A 41 8.390 0.016 -0.145 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.053 -1.702 -2.303 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.082 -0.751 -1.198 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.156 1.332 -2.040 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.137 0.383 -3.140 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.288 0.565 -5.281 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.583 0.284 -5.650 1.00 7.13 H new ATOM 656 N ARG A 42 6.905 -1.444 1.394 1.00 5.73 N ATOM 657 CA ARG A 42 6.257 -2.305 2.334 1.00 6.97 C ATOM 658 C ARG A 42 5.030 -1.581 2.771 1.00 7.15 C ATOM 659 O ARG A 42 5.129 -0.441 3.224 1.00 7.33 O ATOM 660 CB ARG A 42 7.203 -2.483 3.534 1.00 13.23 C ATOM 661 CG ARG A 42 6.643 -3.340 4.671 1.00 21.27 C ATOM 662 CD ARG A 42 7.419 -3.131 5.973 1.00 26.14 C ATOM 663 NE ARG A 42 8.744 -3.794 5.816 1.00 32.26 N ATOM 664 CZ ARG A 42 9.938 -3.402 6.351 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.021 -2.764 7.555 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.098 -3.743 5.718 1.00 36.39 N ATOM 0 H ARG A 42 6.850 -0.452 1.624 1.00 5.73 H new ATOM 0 HA ARG A 42 6.011 -3.281 1.916 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.132 -2.932 3.183 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.454 -1.499 3.930 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.593 -3.093 4.830 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.684 -4.392 4.388 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.544 -2.068 6.178 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.875 -3.557 6.816 1.00 26.14 H new ATOM 0 HE ARG A 42 8.761 -4.638 5.243 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.173 -2.565 8.086 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.931 -2.486 7.923 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.067 -4.285 4.855 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.995 -3.456 6.108 1.00 36.39 H new ATOM 680 N LEU A 43 3.833 -2.168 2.598 1.00 4.65 N ATOM 681 CA LEU A 43 2.567 -1.654 3.022 1.00 3.51 C ATOM 682 C LEU A 43 2.166 -2.356 4.274 1.00 5.56 C ATOM 683 O LEU A 43 2.178 -3.585 4.331 1.00 4.19 O ATOM 684 CB LEU A 43 1.531 -1.869 1.907 1.00 3.74 C ATOM 685 CG LEU A 43 1.650 -0.980 0.657 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.700 -1.456 -0.455 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.375 0.518 0.871 1.00 9.55 C ATOM 0 H LEU A 43 3.744 -3.068 2.127 1.00 4.65 H new ATOM 0 HA LEU A 43 2.631 -0.584 3.222 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.589 -2.910 1.588 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.539 -1.721 2.334 1.00 3.74 H new ATOM 0 HG LEU A 43 2.700 -1.084 0.382 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.806 -0.809 -1.326 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.948 -2.481 -0.732 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.329 -1.416 -0.097 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.487 1.047 -0.075 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.359 0.652 1.243 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.083 0.918 1.597 1.00 9.55 H new ATOM 699 N ILE A 44 1.857 -1.601 5.343 1.00 4.58 N ATOM 700 CA ILE A 44 1.422 -2.174 6.579 1.00 5.55 C ATOM 701 C ILE A 44 0.156 -1.442 6.865 1.00 5.46 C ATOM 702 O ILE A 44 -0.137 -0.398 6.285 1.00 6.04 O ATOM 703 CB ILE A 44 2.449 -1.942 7.648 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.769 -0.450 7.837 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.738 -2.757 7.447 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.160 -0.073 9.265 1.00 13.90 C ATOM 0 H ILE A 44 1.909 -0.582 5.350 1.00 4.58 H new ATOM 0 HA ILE A 44 1.279 -3.254 6.538 1.00 5.55 H new ATOM 0 HB ILE A 44 1.988 -2.306 8.566 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.582 -0.176 7.165 1.00 10.31 H new ATOM 0 HG13 ILE A 44 1.899 0.137 7.542 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.436 -2.540 8.256 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.500 -3.821 7.449 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.193 -2.489 6.494 1.00 7.39 H new ATOM 0 HD11 ILE A 44 3.370 0.995 9.315 1.00 13.90 H new ATOM 0 HD12 ILE A 44 2.341 -0.314 9.942 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.049 -0.631 9.558 1.00 13.90 H new ATOM 718 N PHE A 45 -0.760 -2.064 7.630 1.00 6.75 N ATOM 719 CA PHE A 45 -1.922 -1.348 8.056 1.00 4.70 C ATOM 720 C PHE A 45 -1.641 -0.345 9.121 1.00 6.34 C ATOM 721 O PHE A 45 -1.846 0.859 8.971 1.00 5.45 O ATOM 722 CB PHE A 45 -2.983 -2.346 8.549 1.00 5.51 C ATOM 723 CG PHE A 45 -4.332 -1.791 8.243 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.978 -1.001 9.165 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.941 -2.106 7.051 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.167 -0.371 8.883 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.167 -1.525 6.826 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.822 -0.717 7.725 1.00 6.84 C ATOM 0 H PHE A 45 -0.701 -3.032 7.945 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.286 -0.791 7.193 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.851 -3.311 8.061 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.876 -2.514 9.621 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.537 -0.871 10.142 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.483 -2.771 6.333 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.574 0.373 9.551 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.648 -1.717 5.878 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.823 -0.364 7.527 1.00 6.84 H new ATOM 738 N ALA A 46 -1.188 -0.784 10.308 1.00 6.53 N ATOM 739 CA ALA A 46 -0.799 0.007 11.434 1.00 7.15 C ATOM 740 C ALA A 46 0.474 -0.574 11.944 1.00 9.00 C ATOM 741 O ALA A 46 1.317 0.174 12.437 1.00 11.15 O ATOM 742 CB ALA A 46 -1.998 -0.023 12.397 1.00 8.99 C ATOM 0 H ALA A 46 -1.085 -1.782 10.495 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.584 1.057 11.236 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.767 0.566 13.285 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.873 0.397 11.901 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.205 -1.053 12.688 1.00 8.99 H new ATOM 748 N GLY A 47 0.666 -1.905 11.918 1.00 9.35 N ATOM 749 CA GLY A 47 1.849 -2.594 12.331 1.00 11.68 C ATOM 750 C GLY A 47 2.083 -3.930 11.714 1.00 11.14 C ATOM 751 O GLY A 47 3.112 -4.579 11.897 1.00 13.93 O ATOM 0 H GLY A 47 -0.057 -2.543 11.585 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.708 -1.960 12.112 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.813 -2.718 13.413 1.00 11.68 H new ATOM 755 N LYS A 48 1.016 -4.459 11.089 1.00 10.47 N ATOM 756 CA LYS A 48 1.196 -5.746 10.492 1.00 8.82 C ATOM 757 C LYS A 48 1.337 -5.522 9.025 1.00 7.68 C ATOM 758 O LYS A 48 0.750 -4.599 8.463 1.00 6.47 O ATOM 759 CB LYS A 48 -0.100 -6.559 10.646 1.00 9.74 C ATOM 760 CG LYS A 48 -0.210 -7.357 11.947 1.00 14.14 C ATOM 761 CD LYS A 48 -1.510 -8.161 12.009 1.00 16.32 C ATOM 762 CE LYS A 48 -1.633 -9.125 13.190 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.888 -9.902 13.084 1.00 23.92 N ATOM 0 H LYS A 48 0.093 -4.035 10.998 1.00 10.47 H new ATOM 0 HA LYS A 48 2.047 -6.254 10.946 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.949 -5.878 10.582 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.181 -7.249 9.806 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.641 -8.033 12.032 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.162 -6.676 12.797 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.347 -7.463 12.043 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.608 -8.731 11.085 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.778 -9.801 13.208 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.619 -8.568 14.127 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.962 -10.554 13.891 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.700 -9.252 13.088 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.885 -10.447 12.198 1.00 23.92 H new ATOM 777 N GLN A 49 2.120 -6.390 8.359 1.00 8.89 N ATOM 778 CA GLN A 49 2.511 -6.414 6.984 1.00 7.18 C ATOM 779 C GLN A 49 1.738 -6.941 5.824 1.00 8.23 C ATOM 780 O GLN A 49 1.343 -8.105 5.765 1.00 9.70 O ATOM 781 CB GLN A 49 3.924 -7.017 6.912 1.00 11.67 C ATOM 782 CG GLN A 49 4.728 -6.835 5.624 1.00 15.82 C ATOM 783 CD GLN A 49 6.177 -7.276 5.777 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.988 -6.781 6.558 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.573 -8.333 5.018 1.00 20.67 N ATOM 0 H GLN A 49 2.531 -7.179 8.857 1.00 8.89 H new ATOM 0 HA GLN A 49 2.328 -5.358 6.786 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.507 -6.594 7.730 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.838 -8.087 7.101 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.260 -7.407 4.823 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.700 -5.787 5.326 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.921 -8.763 4.362 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.522 -8.696 5.105 1.00 20.67 H new ATOM 794 N LEU A 50 1.264 -6.048 4.937 1.00 6.51 N ATOM 795 CA LEU A 50 0.327 -6.355 3.901 1.00 7.41 C ATOM 796 C LEU A 50 1.111 -6.818 2.721 1.00 8.27 C ATOM 797 O LEU A 50 1.889 -6.102 2.093 1.00 8.34 O ATOM 798 CB LEU A 50 -0.373 -5.061 3.452 1.00 7.13 C ATOM 799 CG LEU A 50 -1.354 -4.512 4.501 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.923 -3.133 4.126 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.539 -5.463 4.738 1.00 8.14 C ATOM 0 H LEU A 50 1.547 -5.068 4.942 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.392 -7.093 4.257 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.380 -4.303 3.236 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.911 -5.249 2.523 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.762 -4.419 5.411 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.609 -2.798 4.905 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.107 -2.417 4.029 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.457 -3.205 3.179 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.206 -5.034 5.486 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.084 -5.604 3.805 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.168 -6.425 5.091 1.00 8.14 H new ATOM 813 N GLU A 51 0.955 -8.111 2.386 1.00 9.43 N ATOM 814 CA GLU A 51 1.914 -8.820 1.598 1.00 11.90 C ATOM 815 C GLU A 51 1.295 -9.079 0.267 1.00 11.49 C ATOM 816 O GLU A 51 0.088 -9.153 0.042 1.00 9.88 O ATOM 817 CB GLU A 51 2.318 -10.161 2.235 1.00 16.56 C ATOM 818 CG GLU A 51 2.613 -10.059 3.733 1.00 26.06 C ATOM 819 CD GLU A 51 3.332 -11.328 4.170 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.753 -12.432 4.349 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.581 -11.294 4.329 1.00 32.13 O ATOM 0 H GLU A 51 0.151 -8.673 2.666 1.00 9.43 H new ATOM 0 HA GLU A 51 2.818 -8.217 1.519 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.518 -10.885 2.078 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.200 -10.546 1.724 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.229 -9.184 3.939 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.687 -9.936 4.294 1.00 26.06 H new ATOM 828 N ASP A 52 2.150 -9.110 -0.770 1.00 12.71 N ATOM 829 CA ASP A 52 1.934 -9.129 -2.184 1.00 16.56 C ATOM 830 C ASP A 52 0.881 -10.032 -2.727 1.00 15.83 C ATOM 831 O ASP A 52 -0.025 -9.533 -3.394 1.00 17.21 O ATOM 832 CB ASP A 52 3.253 -9.381 -2.934 1.00 21.05 C ATOM 833 CG ASP A 52 4.301 -8.348 -2.545 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.112 -7.129 -2.803 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.303 -8.635 -1.837 1.00 28.37 O ATOM 0 H ASP A 52 3.152 -9.124 -0.578 1.00 12.71 H new ATOM 0 HA ASP A 52 1.536 -8.130 -2.364 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.620 -10.382 -2.707 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.079 -9.342 -4.009 1.00 21.05 H new ATOM 840 N GLY A 53 0.991 -11.361 -2.554 1.00 15.00 N ATOM 841 CA GLY A 53 0.426 -12.410 -3.345 1.00 11.77 C ATOM 842 C GLY A 53 -1.058 -12.415 -3.214 1.00 11.10 C ATOM 843 O GLY A 53 -1.771 -12.928 -4.076 1.00 11.25 O ATOM 0 H GLY A 53 1.534 -11.738 -1.777 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.705 -12.277 -4.390 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.829 -13.372 -3.027 1.00 11.77 H new ATOM 847 N ARG A 54 -1.573 -11.833 -2.117 1.00 8.53 N ATOM 848 CA ARG A 54 -2.930 -11.964 -1.685 1.00 9.05 C ATOM 849 C ARG A 54 -3.769 -10.789 -2.052 1.00 8.96 C ATOM 850 O ARG A 54 -3.254 -9.688 -2.239 1.00 11.60 O ATOM 851 CB ARG A 54 -3.091 -12.182 -0.171 1.00 7.97 C ATOM 852 CG ARG A 54 -2.149 -13.170 0.522 1.00 9.62 C ATOM 853 CD ARG A 54 -2.602 -13.517 1.941 1.00 12.20 C ATOM 854 NE ARG A 54 -3.663 -14.559 1.845 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.173 -15.248 2.907 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.607 -15.184 4.148 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.241 -16.094 2.820 1.00 25.50 N ATOM 0 H ARG A 54 -1.015 -11.242 -1.501 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.269 -12.856 -2.211 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.978 -11.215 0.319 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.113 -12.513 0.011 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.087 -14.084 -0.069 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.146 -12.745 0.558 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -1.761 -13.883 2.530 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.984 -12.630 2.447 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.035 -14.773 0.919 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.779 -14.609 4.302 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.013 -15.711 4.921 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.705 -16.239 1.923 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.575 -16.581 3.652 1.00 25.50 H new ATOM 871 N THR A 55 -5.102 -10.969 -2.081 1.00 9.05 N ATOM 872 CA THR A 55 -6.044 -9.931 -2.365 1.00 9.03 C ATOM 873 C THR A 55 -6.299 -8.924 -1.296 1.00 8.15 C ATOM 874 O THR A 55 -6.210 -9.364 -0.151 1.00 5.91 O ATOM 875 CB THR A 55 -7.382 -10.368 -2.883 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.138 -10.966 -1.840 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.307 -11.377 -4.042 1.00 11.71 C ATOM 0 H THR A 55 -5.540 -11.872 -1.900 1.00 9.05 H new ATOM 0 HA THR A 55 -5.477 -9.453 -3.164 1.00 9.03 H new ATOM 0 HB THR A 55 -7.854 -9.461 -3.260 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.010 -11.247 -2.188 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.315 -11.643 -4.359 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.769 -10.931 -4.879 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.783 -12.273 -3.711 1.00 11.71 H new ATOM 885 N LEU A 56 -6.766 -7.706 -1.622 1.00 6.91 N ATOM 886 CA LEU A 56 -7.394 -6.907 -0.615 1.00 8.29 C ATOM 887 C LEU A 56 -8.535 -7.457 0.169 1.00 8.05 C ATOM 888 O LEU A 56 -8.692 -7.197 1.361 1.00 10.17 O ATOM 889 CB LEU A 56 -7.630 -5.497 -1.182 1.00 6.60 C ATOM 890 CG LEU A 56 -6.538 -4.777 -1.992 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.997 -3.344 -2.311 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.223 -4.801 -1.194 1.00 9.85 C ATOM 0 H LEU A 56 -6.713 -7.284 -2.549 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.674 -6.891 0.203 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.515 -5.552 -1.816 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.881 -4.852 -0.340 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.364 -5.284 -2.941 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.224 -2.833 -2.885 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.918 -3.378 -2.893 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.175 -2.804 -1.381 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.444 -4.292 -1.762 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.367 -4.294 -0.240 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.925 -5.834 -1.014 1.00 9.85 H new ATOM 904 N SER A 57 -9.393 -8.243 -0.505 1.00 8.92 N ATOM 905 CA SER A 57 -10.418 -8.985 0.161 1.00 9.00 C ATOM 906 C SER A 57 -9.971 -10.045 1.108 1.00 9.44 C ATOM 907 O SER A 57 -10.590 -10.183 2.162 1.00 10.91 O ATOM 908 CB SER A 57 -11.373 -9.596 -0.878 1.00 10.32 C ATOM 909 OG SER A 57 -12.694 -9.735 -0.376 1.00 13.59 O ATOM 0 H SER A 57 -9.376 -8.365 -1.518 1.00 8.92 H new ATOM 0 HA SER A 57 -10.913 -8.248 0.793 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.389 -8.967 -1.768 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.998 -10.573 -1.184 1.00 10.32 H new ATOM 0 HG SER A 57 -13.268 -10.125 -1.068 1.00 13.59 H new ATOM 915 N ASP A 58 -8.772 -10.635 0.953 1.00 9.11 N ATOM 916 CA ASP A 58 -8.185 -11.501 1.927 1.00 7.91 C ATOM 917 C ASP A 58 -7.708 -10.709 3.096 1.00 9.12 C ATOM 918 O ASP A 58 -7.686 -11.299 4.175 1.00 8.61 O ATOM 919 CB ASP A 58 -6.978 -12.253 1.339 1.00 8.41 C ATOM 920 CG ASP A 58 -7.400 -13.073 0.129 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.331 -13.893 0.346 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.761 -12.998 -0.955 1.00 10.05 O ATOM 0 H ASP A 58 -8.193 -10.505 0.123 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.949 -12.215 2.234 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.204 -11.542 1.052 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.545 -12.907 2.096 1.00 8.41 H new ATOM 927 N TYR A 59 -7.435 -9.397 2.992 1.00 7.97 N ATOM 928 CA TYR A 59 -6.980 -8.681 4.143 1.00 8.45 C ATOM 929 C TYR A 59 -8.054 -7.949 4.873 1.00 10.98 C ATOM 930 O TYR A 59 -7.841 -7.428 5.967 1.00 12.95 O ATOM 931 CB TYR A 59 -5.869 -7.672 3.809 1.00 7.94 C ATOM 932 CG TYR A 59 -4.551 -8.267 3.450 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.822 -8.980 4.373 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.989 -8.139 2.202 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.642 -9.608 4.049 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.803 -8.718 1.817 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.175 -9.497 2.761 1.00 6.76 C ATOM 938 OH TYR A 59 -0.980 -10.167 2.422 1.00 7.63 O ATOM 0 H TYR A 59 -7.525 -8.845 2.139 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.595 -9.468 4.791 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.205 -7.049 2.980 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.730 -7.014 4.667 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.189 -9.049 5.387 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.516 -7.542 1.473 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.096 -10.175 4.789 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.388 -8.570 0.831 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.700 -9.901 1.521 1.00 7.63 H new ATOM 948 N ASN A 60 -9.176 -7.902 4.133 1.00 12.38 N ATOM 949 CA ASN A 60 -10.410 -7.205 4.321 1.00 13.94 C ATOM 950 C ASN A 60 -10.279 -5.723 4.401 1.00 14.16 C ATOM 951 O ASN A 60 -10.761 -5.036 5.301 1.00 14.26 O ATOM 952 CB ASN A 60 -11.337 -7.581 5.489 1.00 19.23 C ATOM 953 CG ASN A 60 -11.559 -9.086 5.426 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.862 -9.828 6.115 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.600 -9.600 4.717 1.00 24.09 N ATOM 0 H ASN A 60 -9.216 -8.441 3.268 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.879 -7.559 3.403 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.889 -7.298 6.441 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.286 -7.049 5.413 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.801 -10.599 4.758 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.180 -8.986 4.145 1.00 24.09 H new ATOM 962 N ILE A 61 -9.504 -5.114 3.486 1.00 11.08 N ATOM 963 CA ILE A 61 -9.319 -3.698 3.556 1.00 11.78 C ATOM 964 C ILE A 61 -10.456 -2.952 2.947 1.00 13.74 C ATOM 965 O ILE A 61 -10.684 -2.946 1.738 1.00 14.60 O ATOM 966 CB ILE A 61 -8.044 -3.318 2.863 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.871 -4.062 3.523 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.726 -1.814 2.791 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.644 -3.953 2.619 1.00 11.42 C ATOM 0 H ILE A 61 -9.019 -5.583 2.721 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.270 -3.427 4.611 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.191 -3.614 1.824 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.657 -3.634 4.502 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.130 -5.109 3.682 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.781 -1.667 2.268 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.522 -1.299 2.254 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.649 -1.410 3.800 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.806 -4.478 3.078 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.865 -4.400 1.650 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.384 -2.903 2.483 1.00 11.42 H new ATOM 981 N GLN A 62 -11.254 -2.303 3.813 1.00 13.97 N ATOM 982 CA GLN A 62 -12.422 -1.609 3.366 1.00 15.52 C ATOM 983 C GLN A 62 -12.255 -0.189 2.946 1.00 13.94 C ATOM 984 O GLN A 62 -11.114 0.270 2.919 1.00 12.15 O ATOM 985 CB GLN A 62 -13.373 -1.595 4.574 1.00 19.53 C ATOM 986 CG GLN A 62 -13.722 -2.942 5.210 1.00 26.38 C ATOM 987 CD GLN A 62 -14.325 -3.920 4.212 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.638 -4.804 3.703 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.621 -3.614 3.937 1.00 32.71 N ATOM 0 H GLN A 62 -11.092 -2.258 4.819 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.762 -2.131 2.472 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.930 -0.963 5.344 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.303 -1.117 4.265 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.823 -3.379 5.644 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.425 -2.783 6.028 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.081 -2.851 4.433 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.133 -4.148 3.235 1.00 32.71 H new ATOM 998 N LYS A 63 -13.314 0.506 2.492 1.00 11.73 N ATOM 999 CA LYS A 63 -13.272 1.804 1.893 1.00 11.97 C ATOM 1000 C LYS A 63 -12.749 2.855 2.811 1.00 10.41 C ATOM 1001 O LYS A 63 -13.105 3.084 3.966 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.707 2.116 1.436 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.967 3.451 0.735 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.374 3.473 0.134 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.774 2.260 -0.708 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.962 2.680 -1.483 1.00 25.97 N ATOM 0 H LYS A 63 -14.263 0.135 2.548 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.576 1.803 1.054 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -15.023 1.319 0.763 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -15.354 2.068 2.312 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.855 4.270 1.446 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.227 3.607 -0.050 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -17.092 3.575 0.948 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.467 4.365 -0.486 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.962 1.959 -1.370 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.003 1.403 -0.075 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.284 1.891 -2.080 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.724 2.953 -0.830 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.715 3.491 -2.085 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.908 3.717 2.212 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.266 4.882 2.738 1.00 10.94 C ATOM 1022 C GLU A 64 -10.360 4.641 3.896 1.00 9.74 C ATOM 1023 O GLU A 64 -10.164 5.513 4.741 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.335 5.927 3.100 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.748 6.726 1.862 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.894 7.679 2.168 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.854 8.499 3.125 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.883 7.574 1.395 1.00 31.72 O ATOM 0 H GLU A 64 -11.648 3.575 1.236 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.609 5.246 1.948 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.207 5.431 3.527 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.948 6.602 3.863 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.893 7.291 1.491 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.046 6.041 1.068 1.00 24.16 H new ATOM 1035 N SER A 65 -9.769 3.433 3.870 1.00 6.85 N ATOM 1036 CA SER A 65 -8.816 2.997 4.843 1.00 6.90 C ATOM 1037 C SER A 65 -7.550 3.758 4.648 1.00 4.72 C ATOM 1038 O SER A 65 -7.136 4.021 3.520 1.00 3.91 O ATOM 1039 CB SER A 65 -8.409 1.517 4.739 1.00 7.28 C ATOM 1040 OG SER A 65 -9.457 0.604 5.028 1.00 10.56 O ATOM 0 H SER A 65 -9.960 2.738 3.149 1.00 6.85 H new ATOM 0 HA SER A 65 -9.306 3.157 5.804 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.041 1.323 3.732 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.581 1.331 5.423 1.00 7.28 H new ATOM 0 HG SER A 65 -9.950 0.400 4.206 1.00 10.56 H new ATOM 1046 N THR A 66 -6.836 4.076 5.742 1.00 4.48 N ATOM 1047 CA THR A 66 -5.547 4.695 5.712 1.00 3.80 C ATOM 1048 C THR A 66 -4.596 3.553 5.818 1.00 4.60 C ATOM 1049 O THR A 66 -4.642 2.787 6.780 1.00 5.33 O ATOM 1050 CB THR A 66 -5.289 5.549 6.918 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.259 6.513 7.301 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.941 6.264 6.724 1.00 3.40 C ATOM 0 H THR A 66 -7.171 3.894 6.688 1.00 4.48 H new ATOM 0 HA THR A 66 -5.457 5.320 4.823 1.00 3.80 H new ATOM 0 HB THR A 66 -5.316 4.834 7.740 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.951 6.987 8.101 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.734 6.891 7.591 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.149 5.523 6.614 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.984 6.885 5.829 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.668 3.355 4.864 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.683 2.325 4.980 1.00 3.85 C ATOM 1062 C LEU A 67 -1.389 3.060 5.036 1.00 3.80 C ATOM 1063 O LEU A 67 -1.226 4.152 4.492 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.560 1.398 3.759 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.811 0.799 3.096 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.298 -0.069 1.934 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.731 0.003 4.037 1.00 8.12 C ATOM 0 H LEU A 67 -3.600 3.910 4.011 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.948 1.702 5.834 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.024 1.952 2.989 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.923 0.564 4.053 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.455 1.611 2.758 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.144 -0.525 1.420 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.740 0.553 1.234 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.646 -0.851 2.324 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -5.584 -0.378 3.475 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -4.177 -0.832 4.467 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -5.085 0.654 4.837 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.358 2.486 5.681 1.00 2.94 N ATOM 1080 CA HIS A 68 0.897 3.146 5.866 1.00 4.17 C ATOM 1081 C HIS A 68 1.913 2.429 5.044 1.00 5.32 C ATOM 1082 O HIS A 68 2.194 1.231 5.042 1.00 7.70 O ATOM 1083 CB HIS A 68 1.403 3.032 7.314 1.00 5.57 C ATOM 1084 CG HIS A 68 0.571 3.889 8.221 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.560 3.396 8.840 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.612 5.219 8.500 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.075 4.452 9.525 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.433 5.588 9.322 1.00 16.30 N ATOM 0 H HIS A 68 -0.396 1.548 6.081 1.00 2.94 H new ATOM 0 HA HIS A 68 0.760 4.193 5.597 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.359 1.993 7.642 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.447 3.340 7.368 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -0.929 2.446 8.794 1.00 13.74 H new ATOM 0 HD2 HIS A 68 1.364 5.898 8.127 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.932 4.369 10.177 1.00 14.75 H new ATOM 1096 N LEU A 69 2.526 3.219 4.145 1.00 5.29 N ATOM 1097 CA LEU A 69 3.653 2.838 3.351 1.00 3.97 C ATOM 1098 C LEU A 69 4.847 3.109 4.200 1.00 5.07 C ATOM 1099 O LEU A 69 5.028 4.161 4.811 1.00 4.34 O ATOM 1100 CB LEU A 69 3.716 3.545 1.987 1.00 6.08 C ATOM 1101 CG LEU A 69 4.873 3.039 1.110 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.672 1.584 0.653 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.033 3.842 -0.191 1.00 6.87 C ATOM 0 H LEU A 69 2.219 4.174 3.962 1.00 5.29 H new ATOM 0 HA LEU A 69 3.590 1.785 3.075 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.774 3.395 1.460 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.826 4.618 2.143 1.00 6.08 H new ATOM 0 HG LEU A 69 5.747 3.145 1.753 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.517 1.276 0.037 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.604 0.935 1.526 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.753 1.509 0.072 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.865 3.438 -0.768 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.117 3.771 -0.777 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.231 4.887 0.048 1.00 6.87 H new ATOM 1115 N VAL A 70 5.751 2.113 4.172 1.00 4.29 N ATOM 1116 CA VAL A 70 7.011 2.084 4.848 1.00 6.26 C ATOM 1117 C VAL A 70 7.954 1.677 3.769 1.00 9.22 C ATOM 1118 O VAL A 70 7.610 0.969 2.824 1.00 9.36 O ATOM 1119 CB VAL A 70 7.000 1.072 5.955 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.438 0.869 6.462 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.224 1.636 7.158 1.00 8.54 C ATOM 0 H VAL A 70 5.586 1.262 3.634 1.00 4.29 H new ATOM 0 HA VAL A 70 7.272 3.033 5.317 1.00 6.26 H new ATOM 0 HB VAL A 70 6.556 0.151 5.577 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.440 0.135 7.267 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.065 0.513 5.645 1.00 9.76 H new ATOM 0 HG13 VAL A 70 8.830 1.816 6.834 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.216 0.901 7.963 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.706 2.550 7.506 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.200 1.858 6.859 1.00 8.54 H new ATOM 1131 N LEU A 71 9.229 2.093 3.875 1.00 12.71 N ATOM 1132 CA LEU A 71 10.253 1.600 3.006 1.00 16.06 C ATOM 1133 C LEU A 71 11.258 0.803 3.765 1.00 18.09 C ATOM 1134 O LEU A 71 11.326 0.963 4.982 1.00 19.26 O ATOM 1135 CB LEU A 71 10.899 2.796 2.286 1.00 17.10 C ATOM 1136 CG LEU A 71 9.956 3.554 1.337 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.657 4.659 0.528 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.301 2.551 0.373 1.00 17.51 C ATOM 0 H LEU A 71 9.551 2.772 4.564 1.00 12.71 H new ATOM 0 HA LEU A 71 9.820 0.928 2.264 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.278 3.492 3.034 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.758 2.441 1.717 1.00 17.10 H new ATOM 0 HG LEU A 71 9.210 4.049 1.958 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.932 5.151 -0.120 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.090 5.391 1.210 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.447 4.219 -0.081 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.631 3.081 -0.303 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.074 2.044 -0.205 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.734 1.815 0.943 1.00 17.51 H new ATOM 1150 N ARG A 72 11.964 -0.075 3.032 1.00 21.47 N ATOM 1151 CA ARG A 72 12.758 -1.142 3.558 1.00 25.83 C ATOM 1152 C ARG A 72 13.874 -0.587 4.374 1.00 27.74 C ATOM 1153 O ARG A 72 13.977 -0.822 5.577 1.00 30.65 O ATOM 1154 CB ARG A 72 13.235 -2.050 2.412 1.00 28.49 C ATOM 1155 CG ARG A 72 13.997 -3.351 2.674 1.00 31.79 C ATOM 1156 CD ARG A 72 13.662 -4.417 1.628 1.00 34.05 C ATOM 1157 NE ARG A 72 14.596 -5.567 1.787 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.482 -6.657 0.973 1.00 34.67 C ATOM 1159 NH1 ARG A 72 13.531 -6.740 -0.003 1.00 35.02 N ATOM 1160 NH2 ARG A 72 15.144 -7.829 1.197 1.00 34.97 N ATOM 0 H ARG A 72 11.982 -0.038 2.013 1.00 21.47 H new ATOM 0 HA ARG A 72 12.163 -1.766 4.225 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.351 -2.314 1.831 1.00 28.49 H new ATOM 0 HB3 ARG A 72 13.868 -1.439 1.769 1.00 28.49 H new ATOM 0 HG2 ARG A 72 15.069 -3.154 2.664 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.750 -3.725 3.668 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.631 -4.750 1.748 1.00 34.05 H new ATOM 0 HD3 ARG A 72 13.747 -3.999 0.625 1.00 34.05 H new ATOM 0 HE ARG A 72 15.321 -5.540 2.504 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.875 -5.971 -0.143 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.476 -7.571 -0.592 1.00 35.02 H new ATOM 0 HH21 ARG A 72 15.760 -7.921 2.005 1.00 34.97 H new ATOM 0 HH22 ARG A 72 15.023 -8.614 0.557 1.00 34.97 H new ATOM 1174 N LEU A 73 14.741 0.165 3.672 1.00 28.93 N ATOM 1175 CA LEU A 73 15.873 0.864 4.194 1.00 30.76 C ATOM 1176 C LEU A 73 15.603 2.267 4.619 1.00 32.18 C ATOM 1177 O LEU A 73 16.069 2.686 5.678 1.00 32.31 O ATOM 1178 CB LEU A 73 16.976 1.056 3.139 1.00 30.53 C ATOM 1179 CG LEU A 73 18.323 1.511 3.724 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.072 0.368 4.429 1.00 29.11 C ATOM 1181 CD2 LEU A 73 19.250 2.125 2.660 1.00 29.57 C ATOM 0 H LEU A 73 14.641 0.293 2.665 1.00 28.93 H new ATOM 0 HA LEU A 73 16.154 0.230 5.035 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.121 0.117 2.604 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.642 1.791 2.407 1.00 30.53 H new ATOM 0 HG LEU A 73 18.068 2.276 4.457 1.00 30.16 H new ATOM 0 HD11 LEU A 73 20.017 0.741 4.824 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.463 -0.016 5.247 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.268 -0.433 3.716 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.187 2.430 3.126 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.453 1.386 1.885 1.00 29.57 H new ATOM 0 HD23 LEU A 73 18.767 2.995 2.215 1.00 29.57 H new ATOM 1193 N ARG A 74 14.966 3.052 3.733 1.00 33.82 N ATOM 1194 CA ARG A 74 14.763 4.426 4.072 1.00 35.33 C ATOM 1195 C ARG A 74 13.620 4.685 4.993 1.00 36.22 C ATOM 1196 O ARG A 74 12.546 5.098 4.561 1.00 36.70 O ATOM 1197 CB ARG A 74 14.674 5.341 2.840 1.00 36.91 C ATOM 1198 CG ARG A 74 15.813 5.390 1.820 1.00 38.62 C ATOM 1199 CD ARG A 74 17.171 5.782 2.406 1.00 39.75 C ATOM 1200 NE ARG A 74 18.120 5.547 1.281 1.00 41.13 N ATOM 1201 CZ ARG A 74 19.444 5.856 1.161 1.00 41.91 C ATOM 1202 NH1 ARG A 74 20.035 6.769 1.987 1.00 42.75 N ATOM 1203 NH2 ARG A 74 20.188 5.297 0.164 1.00 41.93 N ATOM 0 H ARG A 74 14.607 2.756 2.825 1.00 33.82 H new ATOM 0 HA ARG A 74 15.665 4.680 4.628 1.00 35.33 H new ATOM 0 HB2 ARG A 74 13.770 5.063 2.298 1.00 36.91 H new ATOM 0 HB3 ARG A 74 14.526 6.357 3.205 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.904 4.412 1.348 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.551 6.100 1.035 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.183 6.823 2.729 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.422 5.175 3.276 1.00 39.75 H new ATOM 0 HE ARG A 74 17.715 5.080 0.470 1.00 41.13 H new ATOM 0 HH11 ARG A 74 19.485 7.234 2.710 1.00 42.75 H new ATOM 0 HH12 ARG A 74 21.026 6.986 1.881 1.00 42.75 H new ATOM 0 HH21 ARG A 74 19.755 4.648 -0.493 1.00 41.93 H new ATOM 0 HH22 ARG A 74 21.177 5.528 0.075 1.00 41.93 H new ATOM 1217 N GLY A 75 13.830 4.373 6.284 1.00 36.31 N ATOM 1218 CA GLY A 75 12.792 4.431 7.267 1.00 36.07 C ATOM 1219 C GLY A 75 12.290 3.170 7.881 1.00 36.16 C ATOM 1220 O GLY A 75 12.462 2.054 7.392 1.00 36.26 O ATOM 0 H GLY A 75 14.734 4.076 6.652 1.00 36.31 H new ATOM 0 HA2 GLY A 75 13.144 5.070 8.076 1.00 36.07 H new ATOM 0 HA3 GLY A 75 11.939 4.934 6.812 1.00 36.07 H new ATOM 1224 N GLY A 76 11.619 3.334 9.034 1.00 36.05 N ATOM 1225 CA GLY A 76 10.990 2.269 9.751 1.00 36.19 C ATOM 1226 C GLY A 76 10.362 2.657 11.082 1.00 36.20 C ATOM 1227 O GLY A 76 9.334 2.058 11.497 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.863 3.620 11.722 1.00 36.27 O ATOM 0 H GLY A 76 11.510 4.243 9.484 1.00 36.05 H new ATOM 0 HA2 GLY A 76 10.217 1.834 9.117 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.730 1.489 9.932 1.00 36.19 H new TER 1232 GLY A 76