USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.65) USER MOD Set 2.1: A 7 THR OG1 : rot 106:sc= 1.06 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.16 (180deg=0.491) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -100:sc= 0.887 (180deg=-2.15!) 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+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 1.8 (180deg=-0.017) USER MOD Single : A 31 GLN : amide:sc= -0.0345 X(o=-0.035,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= -0.0348 K(o=-0.035,f=-0.82) USER MOD Single : A 41 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.821 K(o=0.82,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.0269 USER MOD Single : A 60 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.03) 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 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.111 5.575 -3.303 1.00 9.67 N ATOM 2 CA MET A 1 -11.692 6.126 -1.995 1.00 10.38 C ATOM 3 C MET A 1 -10.303 6.662 -1.936 1.00 9.62 C ATOM 4 O MET A 1 -9.366 6.181 -2.572 1.00 9.62 O ATOM 5 CB MET A 1 -11.899 4.993 -0.976 1.00 13.77 C ATOM 6 CG MET A 1 -11.099 3.713 -1.229 1.00 16.29 C ATOM 7 SD MET A 1 -11.664 2.356 -0.160 1.00 17.17 S ATOM 8 CE MET A 1 -10.386 1.088 -0.401 1.00 16.11 C ATOM 0 H1 MET A 1 -12.934 4.954 -3.170 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.365 6.355 -3.943 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.328 5.029 -3.716 1.00 9.67 H new ATOM 0 HA MET A 1 -12.297 7.007 -1.781 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.642 5.369 0.014 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.959 4.738 -0.955 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.199 3.420 -2.274 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.041 3.902 -1.050 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.718 0.148 0.041 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.211 0.946 -1.467 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.461 1.408 0.079 1.00 16.11 H new ATOM 20 N GLN A 2 -10.022 7.591 -1.004 1.00 9.27 N ATOM 21 CA GLN A 2 -8.777 8.166 -0.599 1.00 9.07 C ATOM 22 C GLN A 2 -8.123 7.335 0.450 1.00 8.72 C ATOM 23 O GLN A 2 -8.791 6.984 1.421 1.00 8.22 O ATOM 24 CB GLN A 2 -9.113 9.522 0.045 1.00 14.46 C ATOM 25 CG GLN A 2 -7.850 10.379 0.150 1.00 17.01 C ATOM 26 CD GLN A 2 -7.950 11.730 0.843 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.059 11.757 2.199 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 -7.851 12.746 0.157 1.00 19.49 N flip ATOM 0 H GLN A 2 -10.784 7.993 -0.459 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.112 8.246 -1.459 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.865 10.040 -0.550 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.541 9.367 1.036 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.093 9.793 0.672 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -7.480 10.550 -0.861 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -7.772 12.671 -0.857 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -7.848 13.664 0.602 1.00 19.49 H new ATOM 37 N ILE A 3 -6.814 7.041 0.344 1.00 5.87 N ATOM 38 CA ILE A 3 -6.076 6.390 1.381 1.00 5.07 C ATOM 39 C ILE A 3 -4.829 7.166 1.628 1.00 4.01 C ATOM 40 O ILE A 3 -4.410 7.921 0.752 1.00 4.61 O ATOM 41 CB ILE A 3 -5.754 4.936 1.203 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.265 4.633 -0.223 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.058 4.148 1.412 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.235 3.505 -0.269 1.00 10.83 C ATOM 0 H ILE A 3 -6.256 7.261 -0.481 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.752 6.381 2.236 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.971 4.663 1.910 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.119 4.365 -0.846 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.829 5.535 -0.652 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.863 3.083 1.290 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.439 4.334 2.416 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.798 4.468 0.678 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.927 3.336 -1.301 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.366 3.781 0.329 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.676 2.593 0.132 1.00 10.83 H new ATOM 56 N PHE A 4 -4.194 7.023 2.806 1.00 4.55 N ATOM 57 CA PHE A 4 -2.883 7.530 3.069 1.00 4.68 C ATOM 58 C PHE A 4 -1.900 6.410 3.091 1.00 5.30 C ATOM 59 O PHE A 4 -2.167 5.310 3.572 1.00 5.58 O ATOM 60 CB PHE A 4 -2.846 8.351 4.369 1.00 4.83 C ATOM 61 CG PHE A 4 -3.852 9.450 4.393 1.00 7.97 C ATOM 62 CD1 PHE A 4 -3.815 10.501 3.506 1.00 8.34 C ATOM 63 CD2 PHE A 4 -4.826 9.357 5.359 1.00 6.69 C ATOM 64 CE1 PHE A 4 -4.791 11.461 3.626 1.00 10.61 C ATOM 65 CE2 PHE A 4 -5.787 10.337 5.436 1.00 9.10 C ATOM 66 CZ PHE A 4 -5.769 11.423 4.592 1.00 8.90 C ATOM 0 H PHE A 4 -4.608 6.538 3.602 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.606 8.211 2.264 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.021 7.688 5.216 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.850 8.775 4.496 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.050 10.569 2.746 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.836 8.525 6.048 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -4.790 12.285 2.928 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.571 10.253 6.174 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.496 12.216 4.685 1.00 8.90 H new ATOM 76 N VAL A 5 -0.659 6.630 2.622 1.00 4.44 N ATOM 77 CA VAL A 5 0.388 5.678 2.828 1.00 3.87 C ATOM 78 C VAL A 5 1.398 6.508 3.543 1.00 4.93 C ATOM 79 O VAL A 5 1.562 7.706 3.320 1.00 6.84 O ATOM 80 CB VAL A 5 0.773 5.039 1.527 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.937 4.082 1.832 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.351 4.136 0.991 1.00 9.13 C ATOM 0 H VAL A 5 -0.381 7.463 2.103 1.00 4.44 H new ATOM 0 HA VAL A 5 0.163 4.791 3.420 1.00 3.87 H new ATOM 0 HB VAL A 5 1.004 5.825 0.808 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.254 3.590 0.912 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.772 4.646 2.249 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.611 3.331 2.551 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.039 3.689 0.047 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.561 3.348 1.714 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.250 4.731 0.831 1.00 9.13 H new ATOM 92 N LYS A 6 2.024 5.894 4.564 1.00 6.04 N ATOM 93 CA LYS A 6 3.063 6.506 5.332 1.00 6.12 C ATOM 94 C LYS A 6 4.364 5.787 5.222 1.00 6.57 C ATOM 95 O LYS A 6 4.438 4.562 5.299 1.00 5.76 O ATOM 96 CB LYS A 6 2.496 6.482 6.761 1.00 7.45 C ATOM 97 CG LYS A 6 3.487 7.071 7.767 1.00 11.12 C ATOM 98 CD LYS A 6 2.733 7.621 8.980 1.00 14.54 C ATOM 99 CE LYS A 6 3.434 8.744 9.747 1.00 18.84 C ATOM 100 NZ LYS A 6 2.642 9.590 10.667 1.00 20.55 N ATOM 0 H LYS A 6 1.801 4.945 4.863 1.00 6.04 H new ATOM 0 HA LYS A 6 3.305 7.511 4.986 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.564 7.047 6.793 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.257 5.456 7.042 1.00 7.45 H new ATOM 0 HG2 LYS A 6 4.195 6.305 8.084 1.00 11.12 H new ATOM 0 HG3 LYS A 6 4.067 7.866 7.297 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.762 7.986 8.645 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.544 6.799 9.670 1.00 14.54 H new ATOM 0 HE2 LYS A 6 4.239 8.293 10.327 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.899 9.402 9.013 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.262 10.300 11.106 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.888 10.070 10.135 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.218 8.995 11.407 1.00 20.55 H new ATOM 114 N THR A 7 5.371 6.579 4.812 1.00 7.41 N ATOM 115 CA THR A 7 6.715 6.150 4.579 1.00 7.48 C ATOM 116 C THR A 7 7.562 5.999 5.796 1.00 8.75 C ATOM 117 O THR A 7 7.206 6.401 6.903 1.00 8.58 O ATOM 118 CB THR A 7 7.399 6.972 3.528 1.00 9.61 C ATOM 119 OG1 THR A 7 7.871 8.239 3.963 1.00 11.78 O ATOM 120 CG2 THR A 7 6.522 7.284 2.303 1.00 9.17 C ATOM 0 H THR A 7 5.239 7.575 4.633 1.00 7.41 H new ATOM 0 HA THR A 7 6.600 5.134 4.200 1.00 7.48 H new ATOM 0 HB THR A 7 8.232 6.316 3.275 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.846 8.210 4.057 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.091 7.882 1.591 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.213 6.352 1.830 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.639 7.840 2.619 1.00 9.17 H new ATOM 128 N LEU A 8 8.746 5.363 5.760 1.00 9.84 N ATOM 129 CA LEU A 8 9.534 5.060 6.914 1.00 14.15 C ATOM 130 C LEU A 8 10.178 6.313 7.402 1.00 17.37 C ATOM 131 O LEU A 8 10.398 6.442 8.605 1.00 17.01 O ATOM 132 CB LEU A 8 10.619 4.071 6.456 1.00 16.63 C ATOM 133 CG LEU A 8 11.448 3.372 7.546 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.953 2.022 7.010 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.694 4.132 8.030 1.00 19.31 C ATOM 0 H LEU A 8 9.173 5.046 4.889 1.00 9.84 H new ATOM 0 HA LEU A 8 8.929 4.638 7.716 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.139 3.301 5.853 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.307 4.606 5.801 1.00 16.63 H new ATOM 0 HG LEU A 8 10.765 3.291 8.392 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.542 1.522 7.779 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.102 1.396 6.740 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.574 2.189 6.130 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.202 3.547 8.797 1.00 19.31 H new ATOM 0 HD22 LEU A 8 13.370 4.294 7.191 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.395 5.094 8.446 1.00 19.31 H new ATOM 147 N THR A 9 10.750 7.198 6.566 1.00 18.33 N ATOM 148 CA THR A 9 11.250 8.465 7.002 1.00 19.24 C ATOM 149 C THR A 9 10.148 9.270 7.600 1.00 19.48 C ATOM 150 O THR A 9 10.372 9.813 8.681 1.00 23.14 O ATOM 151 CB THR A 9 11.780 9.233 5.828 1.00 18.97 C ATOM 152 OG1 THR A 9 11.014 8.973 4.661 1.00 20.24 O ATOM 153 CG2 THR A 9 13.179 8.758 5.401 1.00 19.70 C ATOM 0 H THR A 9 10.868 7.030 5.567 1.00 18.33 H new ATOM 0 HA THR A 9 12.036 8.287 7.736 1.00 19.24 H new ATOM 0 HB THR A 9 11.763 10.272 6.156 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.378 9.486 3.910 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.518 9.345 4.548 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.876 8.887 6.230 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.137 7.705 5.123 1.00 19.70 H new ATOM 161 N GLY A 10 8.979 9.275 6.935 1.00 19.43 N ATOM 162 CA GLY A 10 7.846 9.972 7.458 1.00 18.74 C ATOM 163 C GLY A 10 7.351 10.994 6.492 1.00 17.62 C ATOM 164 O GLY A 10 7.245 12.184 6.783 1.00 19.74 O ATOM 0 H GLY A 10 8.819 8.802 6.045 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.050 9.262 7.681 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.114 10.455 8.398 1.00 18.74 H new ATOM 168 N LYS A 11 6.968 10.489 5.306 1.00 13.56 N ATOM 169 CA LYS A 11 6.127 11.169 4.371 1.00 11.91 C ATOM 170 C LYS A 11 4.779 10.536 4.361 1.00 10.18 C ATOM 171 O LYS A 11 4.616 9.364 4.024 1.00 9.10 O ATOM 172 CB LYS A 11 6.724 11.264 2.957 1.00 13.43 C ATOM 173 CG LYS A 11 6.085 12.369 2.113 1.00 16.69 C ATOM 174 CD LYS A 11 6.699 12.656 0.741 1.00 17.92 C ATOM 175 CE LYS A 11 5.869 13.580 -0.152 1.00 20.81 C ATOM 176 NZ LYS A 11 6.513 13.794 -1.468 1.00 21.93 N ATOM 0 H LYS A 11 7.258 9.565 4.985 1.00 13.56 H new ATOM 0 HA LYS A 11 6.039 12.202 4.706 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.796 11.446 3.032 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.598 10.308 2.450 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.036 12.115 1.965 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.111 13.292 2.692 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.684 13.101 0.885 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.850 11.710 0.221 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.878 13.151 -0.298 1.00 20.81 H new ATOM 0 HE3 LYS A 11 5.731 14.540 0.346 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.005 14.710 -1.469 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.198 13.032 -1.647 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.788 13.790 -2.214 1.00 21.93 H new ATOM 190 N THR A 12 3.731 11.358 4.547 1.00 9.63 N ATOM 191 CA THR A 12 2.402 10.841 4.434 1.00 9.85 C ATOM 192 C THR A 12 1.851 11.214 3.101 1.00 11.66 C ATOM 193 O THR A 12 1.452 12.356 2.875 1.00 12.33 O ATOM 194 CB THR A 12 1.486 11.323 5.519 1.00 10.85 C ATOM 195 OG1 THR A 12 1.969 11.382 6.853 1.00 10.91 O ATOM 196 CG2 THR A 12 0.247 10.413 5.543 1.00 9.63 C ATOM 0 H THR A 12 3.797 12.351 4.769 1.00 9.63 H new ATOM 0 HA THR A 12 2.462 9.758 4.541 1.00 9.85 H new ATOM 0 HB THR A 12 1.313 12.363 5.243 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.261 11.716 7.443 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.434 10.746 6.326 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.258 10.461 4.578 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.554 9.386 5.741 1.00 9.63 H new ATOM 204 N ILE A 13 1.619 10.258 2.184 1.00 10.42 N ATOM 205 CA ILE A 13 1.242 10.523 0.830 1.00 11.84 C ATOM 206 C ILE A 13 -0.174 10.130 0.583 1.00 10.55 C ATOM 207 O ILE A 13 -0.701 9.074 0.928 1.00 11.92 O ATOM 208 CB ILE A 13 2.145 9.996 -0.245 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.173 8.461 -0.330 1.00 14.87 C ATOM 210 CG2 ILE A 13 3.508 10.628 0.085 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.203 7.970 -1.346 1.00 16.46 C ATOM 0 H ILE A 13 1.697 9.263 2.393 1.00 10.42 H new ATOM 0 HA ILE A 13 1.356 11.604 0.744 1.00 11.84 H new ATOM 0 HB ILE A 13 1.801 10.265 -1.244 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.404 8.046 0.651 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.185 8.094 -0.607 1.00 14.87 H new ATOM 0 HG21 ILE A 13 4.247 10.304 -0.648 1.00 17.08 H new ATOM 0 HG22 ILE A 13 3.422 11.714 0.057 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.823 10.315 1.080 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.193 6.880 -1.377 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.957 8.363 -2.332 1.00 16.46 H new ATOM 0 HD13 ILE A 13 4.195 8.315 -1.054 1.00 16.46 H new ATOM 223 N THR A 14 -0.893 11.036 -0.104 1.00 9.39 N ATOM 224 CA THR A 14 -2.295 10.879 -0.338 1.00 9.63 C ATOM 225 C THR A 14 -2.497 10.122 -1.605 1.00 11.20 C ATOM 226 O THR A 14 -2.096 10.538 -2.691 1.00 11.63 O ATOM 227 CB THR A 14 -3.103 12.142 -0.389 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.948 12.994 0.736 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.584 11.734 -0.477 1.00 11.66 C ATOM 0 H THR A 14 -0.497 11.888 -0.502 1.00 9.39 H new ATOM 0 HA THR A 14 -2.666 10.342 0.535 1.00 9.63 H new ATOM 0 HB THR A 14 -2.751 12.710 -1.250 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.506 13.792 0.622 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.206 12.628 -0.516 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.745 11.140 -1.377 1.00 11.66 H new ATOM 0 HG23 THR A 14 -4.852 11.144 0.400 1.00 11.66 H new ATOM 237 N LEU A 15 -3.072 8.908 -1.535 1.00 8.29 N ATOM 238 CA LEU A 15 -3.497 8.198 -2.701 1.00 9.03 C ATOM 239 C LEU A 15 -4.969 8.208 -2.932 1.00 8.59 C ATOM 240 O LEU A 15 -5.714 8.421 -1.977 1.00 7.79 O ATOM 241 CB LEU A 15 -2.996 6.745 -2.747 1.00 11.08 C ATOM 242 CG LEU A 15 -1.498 6.662 -2.411 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.164 5.165 -2.297 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.679 7.282 -3.556 1.00 15.88 C ATOM 0 H LEU A 15 -3.244 8.414 -0.660 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.030 8.763 -3.508 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.564 6.139 -2.041 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.173 6.328 -3.738 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.265 7.197 -1.490 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.107 5.045 -2.058 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.767 4.717 -1.508 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.380 4.671 -3.244 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.383 7.223 -3.317 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.874 6.737 -4.480 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -0.965 8.326 -3.684 1.00 15.88 H new ATOM 256 N GLU A 16 -5.381 7.788 -4.141 1.00 11.04 N ATOM 257 CA GLU A 16 -6.733 7.493 -4.503 1.00 11.50 C ATOM 258 C GLU A 16 -6.936 6.181 -5.180 1.00 10.13 C ATOM 259 O GLU A 16 -6.325 5.947 -6.221 1.00 9.83 O ATOM 260 CB GLU A 16 -7.514 8.625 -5.191 1.00 17.22 C ATOM 261 CG GLU A 16 -9.024 8.678 -4.954 1.00 23.33 C ATOM 262 CD GLU A 16 -9.629 9.806 -5.778 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.437 11.002 -5.432 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.190 9.544 -6.875 1.00 28.90 O ATOM 0 H GLU A 16 -4.730 7.646 -4.913 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.190 7.399 -3.518 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.088 9.575 -4.867 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.343 8.549 -6.265 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.480 7.727 -5.230 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.231 8.835 -3.895 1.00 23.33 H new ATOM 271 N VAL A 17 -7.638 5.208 -4.572 1.00 8.99 N ATOM 272 CA VAL A 17 -7.793 3.866 -5.041 1.00 8.85 C ATOM 273 C VAL A 17 -9.237 3.538 -5.206 1.00 8.04 C ATOM 274 O VAL A 17 -10.110 3.960 -4.449 1.00 8.99 O ATOM 275 CB VAL A 17 -7.126 2.969 -4.041 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.623 3.292 -4.097 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.670 3.117 -2.611 1.00 10.54 C ATOM 0 H VAL A 17 -8.130 5.371 -3.694 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.332 3.733 -6.020 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.331 1.931 -4.302 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.089 2.663 -3.384 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.247 3.101 -5.102 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.467 4.341 -3.844 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.138 2.436 -1.947 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.525 4.142 -2.271 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.733 2.878 -2.600 1.00 10.54 H new ATOM 287 N GLU A 18 -9.627 2.726 -6.204 1.00 7.29 N ATOM 288 CA GLU A 18 -10.869 2.017 -6.175 1.00 7.08 C ATOM 289 C GLU A 18 -10.885 0.910 -5.177 1.00 6.45 C ATOM 290 O GLU A 18 -9.839 0.305 -4.948 1.00 5.28 O ATOM 291 CB GLU A 18 -11.318 1.511 -7.556 1.00 10.28 C ATOM 292 CG GLU A 18 -11.362 2.715 -8.498 1.00 12.65 C ATOM 293 CD GLU A 18 -11.859 2.385 -9.898 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.163 1.703 -10.697 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.001 2.834 -10.184 1.00 18.17 O ATOM 0 H GLU A 18 -9.073 2.559 -7.044 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.599 2.760 -5.854 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.626 0.757 -7.931 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.299 1.040 -7.491 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.007 3.479 -8.065 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.363 3.145 -8.570 1.00 12.65 H new ATOM 302 N PRO A 19 -11.885 0.450 -4.486 1.00 7.24 N ATOM 303 CA PRO A 19 -11.875 -0.720 -3.657 1.00 7.07 C ATOM 304 C PRO A 19 -11.692 -1.985 -4.421 1.00 6.65 C ATOM 305 O PRO A 19 -11.188 -2.960 -3.865 1.00 6.37 O ATOM 306 CB PRO A 19 -13.295 -0.754 -3.098 1.00 7.61 C ATOM 307 CG PRO A 19 -13.709 0.724 -3.012 1.00 8.16 C ATOM 308 CD PRO A 19 -13.007 1.341 -4.232 1.00 7.49 C ATOM 0 HA PRO A 19 -11.062 -0.664 -2.933 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.965 -1.317 -3.749 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.325 -1.232 -2.119 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.791 0.845 -3.063 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.380 1.183 -2.080 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.675 1.395 -5.091 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.670 2.357 -4.026 1.00 7.49 H new ATOM 316 N SER A 20 -11.985 -2.033 -5.733 1.00 6.80 N ATOM 317 CA SER A 20 -11.686 -3.204 -6.498 1.00 6.28 C ATOM 318 C SER A 20 -10.295 -3.287 -7.026 1.00 8.45 C ATOM 319 O SER A 20 -9.879 -4.222 -7.707 1.00 7.26 O ATOM 320 CB SER A 20 -12.660 -3.322 -7.682 1.00 8.57 C ATOM 321 OG SER A 20 -14.036 -3.237 -7.341 1.00 11.13 O ATOM 0 H SER A 20 -12.422 -1.275 -6.257 1.00 6.80 H new ATOM 0 HA SER A 20 -11.795 -4.027 -5.791 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.431 -2.535 -8.401 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.484 -4.274 -8.184 1.00 8.57 H new ATOM 0 HG SER A 20 -14.580 -3.320 -8.152 1.00 11.13 H new ATOM 327 N ASP A 21 -9.417 -2.359 -6.603 1.00 7.50 N ATOM 328 CA ASP A 21 -8.055 -2.355 -7.037 1.00 7.70 C ATOM 329 C ASP A 21 -7.248 -3.221 -6.131 1.00 7.08 C ATOM 330 O ASP A 21 -7.559 -3.456 -4.964 1.00 8.11 O ATOM 331 CB ASP A 21 -7.427 -0.956 -6.924 1.00 11.00 C ATOM 332 CG ASP A 21 -6.603 -0.574 -8.146 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.638 -1.407 -9.091 1.00 18.03 O ATOM 334 OD2 ASP A 21 -5.965 0.512 -8.187 1.00 14.36 O ATOM 0 H ASP A 21 -9.653 -1.607 -5.956 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.052 -2.698 -8.072 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.217 -0.219 -6.781 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.792 -0.919 -6.039 1.00 11.00 H new ATOM 339 N THR A 22 -6.089 -3.702 -6.615 1.00 5.37 N ATOM 340 CA THR A 22 -5.155 -4.592 -5.999 1.00 6.01 C ATOM 341 C THR A 22 -4.018 -3.929 -5.300 1.00 8.01 C ATOM 342 O THR A 22 -3.734 -2.764 -5.573 1.00 8.11 O ATOM 343 CB THR A 22 -4.754 -5.671 -6.961 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.908 -5.136 -7.968 1.00 10.22 O ATOM 345 CG2 THR A 22 -6.055 -6.238 -7.553 1.00 9.65 C ATOM 0 H THR A 22 -5.774 -3.433 -7.547 1.00 5.37 H new ATOM 0 HA THR A 22 -5.674 -5.071 -5.169 1.00 6.01 H new ATOM 0 HB THR A 22 -4.190 -6.463 -6.468 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.650 -5.848 -8.591 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.817 -7.030 -8.263 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.673 -6.642 -6.752 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.598 -5.444 -8.065 1.00 9.65 H new ATOM 353 N ILE A 23 -3.241 -4.669 -4.490 1.00 8.32 N ATOM 354 CA ILE A 23 -2.044 -4.133 -3.921 1.00 9.92 C ATOM 355 C ILE A 23 -0.939 -3.832 -4.875 1.00 10.01 C ATOM 356 O ILE A 23 -0.089 -2.972 -4.651 1.00 8.71 O ATOM 357 CB ILE A 23 -1.704 -5.102 -2.827 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.846 -5.336 -1.823 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.443 -4.648 -2.073 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.455 -4.086 -1.190 1.00 12.30 C ATOM 0 H ILE A 23 -3.440 -5.635 -4.230 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.205 -3.124 -3.540 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.524 -6.054 -3.326 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.640 -5.885 -2.329 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.474 -5.978 -1.024 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.213 -5.364 -1.284 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.395 -4.592 -2.767 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.616 -3.666 -1.633 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.249 -4.377 -0.502 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.684 -3.541 -0.646 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.868 -3.447 -1.971 1.00 12.30 H new ATOM 372 N GLU A 24 -0.879 -4.526 -6.025 1.00 9.54 N ATOM 373 CA GLU A 24 0.036 -4.329 -7.107 1.00 11.81 C ATOM 374 C GLU A 24 -0.129 -2.991 -7.742 1.00 11.14 C ATOM 375 O GLU A 24 0.811 -2.253 -8.033 1.00 10.62 O ATOM 376 CB GLU A 24 -0.074 -5.502 -8.095 1.00 19.24 C ATOM 377 CG GLU A 24 0.740 -5.493 -9.390 1.00 27.76 C ATOM 378 CD GLU A 24 0.486 -6.722 -10.252 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.656 -7.252 -10.282 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.410 -7.178 -10.978 1.00 36.51 O ATOM 0 H GLU A 24 -1.527 -5.291 -6.213 1.00 9.54 H new ATOM 0 HA GLU A 24 1.055 -4.326 -6.720 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.192 -6.409 -7.552 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.124 -5.594 -8.373 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.497 -4.597 -9.961 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.801 -5.438 -9.147 1.00 27.76 H new ATOM 387 N ASN A 25 -1.413 -2.694 -8.007 1.00 9.43 N ATOM 388 CA ASN A 25 -1.944 -1.476 -8.538 1.00 10.96 C ATOM 389 C ASN A 25 -1.810 -0.312 -7.618 1.00 9.68 C ATOM 390 O ASN A 25 -1.853 0.841 -8.044 1.00 9.33 O ATOM 391 CB ASN A 25 -3.419 -1.578 -8.962 1.00 16.78 C ATOM 392 CG ASN A 25 -3.591 -2.668 -10.010 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.708 -3.197 -10.683 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.890 -3.013 -10.218 1.00 24.70 N ATOM 0 H ASN A 25 -2.151 -3.376 -7.831 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.327 -1.307 -9.421 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.040 -1.797 -8.094 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.757 -0.622 -9.362 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.126 -3.706 -10.928 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.628 -2.579 -9.664 1.00 24.70 H new ATOM 401 N VAL A 26 -1.685 -0.506 -6.293 1.00 6.52 N ATOM 402 CA VAL A 26 -1.314 0.431 -5.278 1.00 5.53 C ATOM 403 C VAL A 26 0.097 0.840 -5.527 1.00 4.42 C ATOM 404 O VAL A 26 0.493 1.993 -5.689 1.00 3.40 O ATOM 405 CB VAL A 26 -1.619 -0.028 -3.883 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.016 0.972 -2.883 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.148 0.026 -3.721 1.00 8.12 C ATOM 0 H VAL A 26 -1.865 -1.426 -5.891 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.941 1.320 -5.347 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.218 -1.026 -3.708 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.233 0.645 -1.866 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.064 1.022 -3.025 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.450 1.958 -3.048 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.419 -0.301 -2.717 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.494 1.048 -3.876 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.615 -0.631 -4.455 1.00 8.12 H new ATOM 417 N LYS A 27 1.053 -0.107 -5.555 1.00 2.64 N ATOM 418 CA LYS A 27 2.452 0.169 -5.659 1.00 4.14 C ATOM 419 C LYS A 27 2.932 0.685 -6.972 1.00 5.58 C ATOM 420 O LYS A 27 3.995 1.300 -7.047 1.00 4.11 O ATOM 421 CB LYS A 27 3.216 -1.122 -5.320 1.00 3.97 C ATOM 422 CG LYS A 27 2.842 -1.551 -3.900 1.00 7.45 C ATOM 423 CD LYS A 27 3.533 -2.836 -3.438 1.00 9.02 C ATOM 424 CE LYS A 27 3.225 -4.012 -4.366 1.00 12.90 C ATOM 425 NZ LYS A 27 3.615 -5.316 -3.785 1.00 15.47 N ATOM 0 H LYS A 27 0.842 -1.104 -5.503 1.00 2.64 H new ATOM 0 HA LYS A 27 2.642 0.984 -4.961 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.964 -1.908 -6.032 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.291 -0.956 -5.395 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.094 -0.746 -3.210 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.762 -1.691 -3.846 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.610 -2.676 -3.400 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.211 -3.078 -2.425 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.158 -4.023 -4.590 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.748 -3.870 -5.312 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.384 -6.077 -4.455 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.638 -5.320 -3.595 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.098 -5.469 -2.896 1.00 15.47 H new ATOM 439 N ALA A 28 2.166 0.528 -8.066 1.00 6.61 N ATOM 440 CA ALA A 28 2.359 1.181 -9.323 1.00 7.74 C ATOM 441 C ALA A 28 2.048 2.631 -9.178 1.00 9.17 C ATOM 442 O ALA A 28 2.651 3.415 -9.909 1.00 11.45 O ATOM 443 CB ALA A 28 1.533 0.516 -10.437 1.00 7.68 C ATOM 0 H ALA A 28 1.359 -0.096 -8.072 1.00 6.61 H new ATOM 0 HA ALA A 28 3.402 1.082 -9.622 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.704 1.038 -11.378 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.834 -0.526 -10.540 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.474 0.564 -10.183 1.00 7.68 H new ATOM 449 N LYS A 29 1.162 3.050 -8.258 1.00 8.96 N ATOM 450 CA LYS A 29 0.776 4.420 -8.112 1.00 7.90 C ATOM 451 C LYS A 29 1.821 5.196 -7.388 1.00 6.92 C ATOM 452 O LYS A 29 2.136 6.331 -7.744 1.00 6.87 O ATOM 453 CB LYS A 29 -0.607 4.485 -7.442 1.00 10.28 C ATOM 454 CG LYS A 29 -1.732 4.060 -8.386 1.00 14.94 C ATOM 455 CD LYS A 29 -3.031 3.743 -7.643 1.00 19.69 C ATOM 456 CE LYS A 29 -4.222 3.528 -8.579 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.153 2.253 -9.328 1.00 24.98 N ATOM 0 H LYS A 29 0.702 2.422 -7.599 1.00 8.96 H new ATOM 0 HA LYS A 29 0.690 4.891 -9.091 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.612 3.842 -6.562 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.792 5.501 -7.095 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.915 4.855 -9.109 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.416 3.182 -8.950 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.887 2.848 -7.037 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.258 4.559 -6.957 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.143 3.550 -7.996 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.273 4.355 -9.287 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.089 2.452 -10.347 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.313 1.718 -9.027 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.008 1.692 -9.138 1.00 24.98 H new ATOM 471 N ILE A 30 2.512 4.536 -6.442 1.00 4.57 N ATOM 472 CA ILE A 30 3.579 5.020 -5.622 1.00 5.58 C ATOM 473 C ILE A 30 4.841 5.096 -6.411 1.00 7.26 C ATOM 474 O ILE A 30 5.730 5.879 -6.079 1.00 9.46 O ATOM 475 CB ILE A 30 3.678 4.223 -4.355 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.489 4.352 -3.389 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.944 4.391 -3.499 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.390 3.380 -2.213 1.00 2.00 C ATOM 0 H ILE A 30 2.299 3.561 -6.232 1.00 4.57 H new ATOM 0 HA ILE A 30 3.371 6.040 -5.300 1.00 5.58 H new ATOM 0 HB ILE A 30 3.700 3.237 -4.819 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.502 5.363 -2.982 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.575 4.256 -3.975 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.874 3.754 -2.617 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.819 4.106 -4.084 1.00 2.78 H new ATOM 0 HG23 ILE A 30 5.038 5.432 -3.189 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.497 3.604 -1.630 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.331 2.359 -2.589 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.272 3.483 -1.581 1.00 2.00 H new ATOM 490 N GLN A 31 5.042 4.154 -7.349 1.00 7.06 N ATOM 491 CA GLN A 31 6.036 4.248 -8.373 1.00 8.67 C ATOM 492 C GLN A 31 5.901 5.475 -9.206 1.00 10.90 C ATOM 493 O GLN A 31 6.876 6.219 -9.299 1.00 9.63 O ATOM 494 CB GLN A 31 5.988 2.943 -9.185 1.00 9.12 C ATOM 495 CG GLN A 31 6.968 2.869 -10.358 1.00 10.76 C ATOM 496 CD GLN A 31 7.026 1.402 -10.757 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.050 0.746 -10.574 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.972 0.854 -11.420 1.00 14.76 N ATOM 0 H GLN A 31 4.493 3.296 -7.397 1.00 7.06 H new ATOM 0 HA GLN A 31 7.023 4.357 -7.924 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.187 2.108 -8.513 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.976 2.809 -9.568 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.630 3.487 -11.190 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.953 3.235 -10.068 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.124 1.401 -11.570 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.030 -0.103 -11.767 1.00 14.76 H new ATOM 507 N ASP A 32 4.661 5.744 -9.653 1.00 10.93 N ATOM 508 CA ASP A 32 4.478 7.007 -10.298 1.00 14.01 C ATOM 509 C ASP A 32 4.637 8.242 -9.479 1.00 14.04 C ATOM 510 O ASP A 32 5.428 9.116 -9.831 1.00 13.39 O ATOM 511 CB ASP A 32 3.023 6.960 -10.795 1.00 18.01 C ATOM 512 CG ASP A 32 2.711 6.245 -12.102 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.630 5.651 -12.727 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.521 6.149 -12.503 1.00 25.17 O ATOM 0 H ASP A 32 3.842 5.140 -9.578 1.00 10.93 H new ATOM 0 HA ASP A 32 5.264 7.101 -11.047 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.424 6.493 -10.014 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.675 7.988 -10.892 1.00 18.01 H new ATOM 519 N LYS A 33 3.826 8.333 -8.410 1.00 14.22 N ATOM 520 CA LYS A 33 3.691 9.468 -7.551 1.00 14.00 C ATOM 521 C LYS A 33 4.885 9.981 -6.821 1.00 12.37 C ATOM 522 O LYS A 33 5.210 11.158 -6.971 1.00 12.17 O ATOM 523 CB LYS A 33 2.538 9.257 -6.555 1.00 18.62 C ATOM 524 CG LYS A 33 2.117 10.602 -5.960 1.00 24.00 C ATOM 525 CD LYS A 33 0.738 10.644 -5.300 1.00 27.61 C ATOM 526 CE LYS A 33 0.338 12.082 -4.965 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.113 12.126 -4.676 1.00 30.06 N ATOM 0 H LYS A 33 3.224 7.560 -8.127 1.00 14.22 H new ATOM 0 HA LYS A 33 3.494 10.259 -8.274 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.691 8.790 -7.058 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.850 8.579 -5.761 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.861 10.897 -5.220 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.141 11.350 -6.752 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.002 10.202 -5.967 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.747 10.043 -4.391 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.904 12.439 -4.104 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.576 12.742 -5.799 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.389 13.098 -4.431 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.644 11.817 -5.515 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.327 11.494 -3.879 1.00 30.06 H new ATOM 541 N GLU A 34 5.613 9.119 -6.089 1.00 10.11 N ATOM 542 CA GLU A 34 6.816 9.498 -5.414 1.00 10.07 C ATOM 543 C GLU A 34 7.993 8.923 -6.125 1.00 9.32 C ATOM 544 O GLU A 34 9.068 9.516 -6.194 1.00 11.61 O ATOM 545 CB GLU A 34 6.796 8.935 -3.983 1.00 14.77 C ATOM 546 CG GLU A 34 5.880 9.746 -3.063 1.00 18.75 C ATOM 547 CD GLU A 34 6.235 11.226 -3.041 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.383 11.641 -2.731 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.322 12.068 -3.255 1.00 25.19 O ATOM 0 H GLU A 34 5.361 8.139 -5.963 1.00 10.11 H new ATOM 0 HA GLU A 34 6.885 10.586 -5.394 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.462 7.898 -4.006 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.808 8.935 -3.579 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.847 9.629 -3.390 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.941 9.346 -2.051 1.00 18.75 H new ATOM 556 N GLY A 35 7.941 7.648 -6.548 1.00 7.22 N ATOM 557 CA GLY A 35 9.041 6.943 -7.129 1.00 6.29 C ATOM 558 C GLY A 35 9.716 6.088 -6.112 1.00 6.93 C ATOM 559 O GLY A 35 10.941 5.993 -6.057 1.00 7.41 O ATOM 0 H GLY A 35 7.094 7.083 -6.482 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.688 6.325 -7.954 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.755 7.653 -7.546 1.00 6.29 H new ATOM 563 N ILE A 36 8.897 5.333 -5.357 1.00 5.86 N ATOM 564 CA ILE A 36 9.400 4.289 -4.519 1.00 6.07 C ATOM 565 C ILE A 36 9.029 3.076 -5.300 1.00 6.36 C ATOM 566 O ILE A 36 7.848 2.907 -5.599 1.00 6.18 O ATOM 567 CB ILE A 36 8.720 4.232 -3.183 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.603 5.641 -2.578 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.557 3.220 -2.384 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.847 5.734 -1.253 1.00 9.49 C ATOM 0 H ILE A 36 7.884 5.446 -5.327 1.00 5.86 H new ATOM 0 HA ILE A 36 10.460 4.412 -4.298 1.00 6.07 H new ATOM 0 HB ILE A 36 7.682 3.899 -3.208 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.608 6.037 -2.430 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.109 6.288 -3.303 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.136 3.108 -1.385 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.545 2.256 -2.893 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.584 3.577 -2.307 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.825 6.771 -0.918 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.827 5.376 -1.390 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.349 5.122 -0.504 1.00 9.49 H new ATOM 582 N PRO A 37 9.942 2.302 -5.808 1.00 8.65 N ATOM 583 CA PRO A 37 9.592 1.248 -6.714 1.00 9.18 C ATOM 584 C PRO A 37 9.149 -0.037 -6.102 1.00 9.85 C ATOM 585 O PRO A 37 9.408 -0.082 -4.900 1.00 8.51 O ATOM 586 CB PRO A 37 10.898 1.049 -7.480 1.00 11.42 C ATOM 587 CG PRO A 37 11.992 1.183 -6.409 1.00 9.27 C ATOM 588 CD PRO A 37 11.389 2.446 -5.774 1.00 8.33 C ATOM 0 HA PRO A 37 8.719 1.528 -7.303 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.931 0.072 -7.962 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.016 1.796 -8.265 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.048 0.333 -5.729 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.992 1.331 -6.818 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.739 2.564 -4.748 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.699 3.336 -6.321 1.00 8.33 H new ATOM 596 N PRO A 38 8.513 -1.042 -6.626 1.00 8.71 N ATOM 597 CA PRO A 38 7.865 -1.994 -5.771 1.00 9.08 C ATOM 598 C PRO A 38 8.834 -2.998 -5.247 1.00 9.28 C ATOM 599 O PRO A 38 8.447 -3.818 -4.417 1.00 6.50 O ATOM 600 CB PRO A 38 6.909 -2.707 -6.724 1.00 10.31 C ATOM 601 CG PRO A 38 6.488 -1.669 -7.776 1.00 10.81 C ATOM 602 CD PRO A 38 7.833 -0.939 -7.908 1.00 12.00 C ATOM 0 HA PRO A 38 7.393 -1.521 -4.910 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.396 -3.561 -7.195 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.041 -3.090 -6.188 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.156 -2.121 -8.711 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.683 -1.019 -7.433 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.436 -1.385 -8.699 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.678 0.106 -8.177 1.00 12.00 H new ATOM 610 N ASP A 39 10.116 -2.971 -5.653 1.00 11.20 N ATOM 611 CA ASP A 39 11.119 -3.849 -5.137 1.00 14.96 C ATOM 612 C ASP A 39 11.627 -3.429 -3.801 1.00 13.99 C ATOM 613 O ASP A 39 11.960 -4.279 -2.977 1.00 13.75 O ATOM 614 CB ASP A 39 12.275 -4.083 -6.124 1.00 24.16 C ATOM 615 CG ASP A 39 12.674 -2.843 -6.912 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.770 -2.323 -7.620 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.807 -2.336 -6.699 1.00 34.22 O ATOM 0 H ASP A 39 10.464 -2.322 -6.358 1.00 11.20 H new ATOM 0 HA ASP A 39 10.616 -4.806 -5.001 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.143 -4.446 -5.573 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.990 -4.869 -6.823 1.00 24.16 H new ATOM 622 N GLN A 40 11.534 -2.113 -3.537 1.00 11.60 N ATOM 623 CA GLN A 40 11.525 -1.539 -2.227 1.00 10.76 C ATOM 624 C GLN A 40 10.365 -1.736 -1.313 1.00 8.01 C ATOM 625 O GLN A 40 10.467 -2.227 -0.190 1.00 8.96 O ATOM 626 CB GLN A 40 11.831 -0.038 -2.368 1.00 11.14 C ATOM 627 CG GLN A 40 13.265 0.302 -2.781 1.00 14.85 C ATOM 628 CD GLN A 40 13.499 1.796 -2.608 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.982 2.497 -1.739 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.300 2.373 -3.543 1.00 18.16 N ATOM 0 H GLN A 40 11.461 -1.414 -4.276 1.00 11.60 H new ATOM 0 HA GLN A 40 12.283 -2.124 -1.706 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.148 0.387 -3.103 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.619 0.450 -1.417 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.974 -0.261 -2.174 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.435 0.014 -3.818 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.733 1.800 -4.267 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.468 3.379 -3.520 1.00 18.16 H new ATOM 639 N GLN A 41 9.146 -1.454 -1.807 1.00 6.52 N ATOM 640 CA GLN A 41 7.941 -1.359 -1.042 1.00 3.87 C ATOM 641 C GLN A 41 7.437 -2.635 -0.463 1.00 4.79 C ATOM 642 O GLN A 41 6.916 -3.555 -1.093 1.00 6.34 O ATOM 643 CB GLN A 41 6.793 -0.882 -1.948 1.00 4.20 C ATOM 644 CG GLN A 41 6.997 0.555 -2.432 1.00 3.20 C ATOM 645 CD GLN A 41 5.906 0.961 -3.412 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.773 1.127 -2.965 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.203 0.976 -4.740 1.00 7.13 N ATOM 0 H GLN A 41 8.993 -1.282 -2.801 1.00 6.52 H new ATOM 0 HA GLN A 41 8.209 -0.682 -0.231 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.712 -1.545 -2.809 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.851 -0.950 -1.404 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.995 1.233 -1.579 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.972 0.646 -2.910 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.164 0.832 -5.049 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.464 1.131 -5.426 1.00 7.13 H new ATOM 656 N ARG A 42 7.382 -2.754 0.876 1.00 5.73 N ATOM 657 CA ARG A 42 6.704 -3.839 1.515 1.00 6.97 C ATOM 658 C ARG A 42 5.519 -3.240 2.192 1.00 7.15 C ATOM 659 O ARG A 42 5.711 -2.464 3.127 1.00 7.33 O ATOM 660 CB ARG A 42 7.617 -4.380 2.629 1.00 13.23 C ATOM 661 CG ARG A 42 7.165 -5.686 3.287 1.00 21.27 C ATOM 662 CD ARG A 42 8.023 -6.063 4.497 1.00 26.14 C ATOM 663 NE ARG A 42 7.590 -7.388 5.023 1.00 32.26 N ATOM 664 CZ ARG A 42 7.515 -7.585 6.371 1.00 34.32 C ATOM 665 NH1 ARG A 42 7.953 -6.715 7.328 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.863 -8.720 6.758 1.00 36.39 N ATOM 0 H ARG A 42 7.812 -2.091 1.521 1.00 5.73 H new ATOM 0 HA ARG A 42 6.440 -4.623 0.806 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.614 -4.530 2.214 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.705 -3.617 3.403 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.125 -5.590 3.599 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.205 -6.491 2.553 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.075 -6.099 4.213 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.929 -5.304 5.273 1.00 26.14 H new ATOM 0 HE ARG A 42 7.351 -8.143 4.380 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.380 -5.829 7.055 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.854 -6.951 8.315 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.474 -9.349 6.056 1.00 36.39 H new ATOM 0 HH22 ARG A 42 6.765 -8.939 7.749 1.00 36.39 H new ATOM 680 N LEU A 43 4.269 -3.534 1.795 1.00 4.65 N ATOM 681 CA LEU A 43 3.096 -2.989 2.405 1.00 3.51 C ATOM 682 C LEU A 43 2.717 -3.768 3.617 1.00 5.56 C ATOM 683 O LEU A 43 2.494 -4.976 3.553 1.00 4.19 O ATOM 684 CB LEU A 43 1.885 -2.748 1.487 1.00 3.74 C ATOM 685 CG LEU A 43 2.036 -1.484 0.624 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.018 -1.463 -0.528 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.758 -0.221 1.457 1.00 9.55 C ATOM 0 H LEU A 43 4.067 -4.171 1.025 1.00 4.65 H new ATOM 0 HA LEU A 43 3.395 -1.980 2.688 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.749 -3.612 0.837 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.985 -2.662 2.095 1.00 3.74 H new ATOM 0 HG LEU A 43 3.056 -1.498 0.241 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.154 -0.556 -1.117 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.170 -2.335 -1.164 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.007 -1.483 -0.121 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.870 0.662 0.828 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.742 -0.260 1.849 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.465 -0.168 2.285 1.00 9.55 H new ATOM 699 N ILE A 44 2.545 -3.023 4.724 1.00 4.58 N ATOM 700 CA ILE A 44 2.138 -3.507 6.007 1.00 5.55 C ATOM 701 C ILE A 44 0.885 -2.801 6.397 1.00 5.46 C ATOM 702 O ILE A 44 0.751 -1.615 6.102 1.00 6.04 O ATOM 703 CB ILE A 44 3.149 -3.290 7.093 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.359 -4.230 6.965 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.463 -3.415 8.464 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.982 -5.700 7.143 1.00 13.90 C ATOM 0 H ILE A 44 2.701 -2.015 4.721 1.00 4.58 H new ATOM 0 HA ILE A 44 2.005 -4.584 5.907 1.00 5.55 H new ATOM 0 HB ILE A 44 3.550 -2.282 6.992 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.819 -4.093 5.987 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.107 -3.958 7.710 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.197 -3.257 9.254 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.675 -2.666 8.546 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.030 -4.410 8.565 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.874 -6.319 7.043 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.547 -5.847 8.132 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.256 -5.984 6.382 1.00 13.90 H new ATOM 718 N PHE A 45 -0.065 -3.538 7.001 1.00 6.75 N ATOM 719 CA PHE A 45 -1.058 -2.929 7.830 1.00 4.70 C ATOM 720 C PHE A 45 -1.123 -3.810 9.030 1.00 6.34 C ATOM 721 O PHE A 45 -1.078 -5.034 8.920 1.00 5.45 O ATOM 722 CB PHE A 45 -2.388 -2.921 7.058 1.00 5.51 C ATOM 723 CG PHE A 45 -3.507 -2.066 7.545 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.242 -0.818 8.057 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.807 -2.416 7.265 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.249 0.097 8.255 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.810 -1.564 7.663 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.561 -0.295 8.130 1.00 6.84 C ATOM 0 H PHE A 45 -0.145 -4.551 6.916 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.840 -1.899 8.112 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.170 -2.623 6.032 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.752 -3.948 7.021 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.226 -0.552 8.308 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.034 -3.336 6.746 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.010 1.120 8.508 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.833 -1.905 7.607 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.370 0.372 8.390 1.00 6.84 H new ATOM 738 N ALA A 46 -1.252 -3.243 10.243 1.00 6.53 N ATOM 739 CA ALA A 46 -1.044 -3.834 11.529 1.00 7.15 C ATOM 740 C ALA A 46 0.242 -4.583 11.599 1.00 9.00 C ATOM 741 O ALA A 46 1.303 -3.962 11.573 1.00 11.15 O ATOM 742 CB ALA A 46 -2.280 -4.581 12.059 1.00 8.99 C ATOM 0 H ALA A 46 -1.532 -2.266 10.329 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.923 -3.022 12.246 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.056 -5.006 13.038 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.115 -3.886 12.147 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.546 -5.381 11.368 1.00 8.99 H new ATOM 748 N GLY A 47 0.180 -5.917 11.441 1.00 9.35 N ATOM 749 CA GLY A 47 1.448 -6.547 11.238 1.00 11.68 C ATOM 750 C GLY A 47 1.297 -7.737 10.355 1.00 11.14 C ATOM 751 O GLY A 47 2.125 -8.646 10.356 1.00 13.93 O ATOM 0 H GLY A 47 -0.651 -6.509 11.450 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.146 -5.839 10.790 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.870 -6.848 12.197 1.00 11.68 H new ATOM 755 N LYS A 48 0.316 -7.662 9.437 1.00 10.47 N ATOM 756 CA LYS A 48 0.158 -8.546 8.324 1.00 8.82 C ATOM 757 C LYS A 48 0.806 -7.918 7.138 1.00 7.68 C ATOM 758 O LYS A 48 0.585 -6.727 6.922 1.00 6.47 O ATOM 759 CB LYS A 48 -1.330 -8.799 8.032 1.00 9.74 C ATOM 760 CG LYS A 48 -2.190 -9.039 9.274 1.00 14.14 C ATOM 761 CD LYS A 48 -3.660 -9.256 8.909 1.00 16.32 C ATOM 762 CE LYS A 48 -4.580 -9.446 10.116 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.905 -9.910 9.647 1.00 23.92 N ATOM 0 H LYS A 48 -0.407 -6.944 9.474 1.00 10.47 H new ATOM 0 HA LYS A 48 0.622 -9.506 8.552 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.731 -7.944 7.488 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.416 -9.664 7.374 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.816 -9.909 9.813 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.104 -8.186 9.947 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.010 -8.401 8.330 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.738 -10.131 8.264 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.150 -10.172 10.806 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.682 -8.508 10.663 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -6.536 -10.041 10.463 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -6.313 -9.202 9.004 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.798 -10.814 9.143 1.00 23.92 H new ATOM 777 N GLN A 49 1.371 -8.738 6.235 1.00 8.89 N ATOM 778 CA GLN A 49 1.840 -8.253 4.974 1.00 7.18 C ATOM 779 C GLN A 49 0.846 -8.532 3.900 1.00 8.23 C ATOM 780 O GLN A 49 0.229 -9.594 3.974 1.00 9.70 O ATOM 781 CB GLN A 49 3.210 -8.919 4.763 1.00 11.67 C ATOM 782 CG GLN A 49 3.724 -8.867 3.322 1.00 15.82 C ATOM 783 CD GLN A 49 5.104 -9.496 3.197 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.158 -8.865 3.143 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.176 -10.826 2.923 1.00 20.67 N ATOM 0 H GLN A 49 1.504 -9.739 6.378 1.00 8.89 H new ATOM 0 HA GLN A 49 1.958 -7.170 4.947 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.939 -8.436 5.413 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.146 -9.961 5.075 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.025 -9.388 2.667 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.764 -7.831 2.986 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.333 -11.399 2.953 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.073 -11.250 2.688 1.00 20.67 H new ATOM 794 N LEU A 50 0.633 -7.577 2.978 1.00 6.51 N ATOM 795 CA LEU A 50 -0.509 -7.577 2.117 1.00 7.41 C ATOM 796 C LEU A 50 -0.023 -7.793 0.725 1.00 8.27 C ATOM 797 O LEU A 50 0.926 -7.143 0.291 1.00 8.34 O ATOM 798 CB LEU A 50 -1.455 -6.366 2.052 1.00 7.13 C ATOM 799 CG LEU A 50 -1.917 -5.743 3.381 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.282 -6.767 4.468 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.744 -4.970 4.008 1.00 8.14 C ATOM 0 H LEU A 50 1.265 -6.791 2.827 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.125 -8.354 2.570 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.962 -5.587 1.471 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.343 -6.665 1.496 1.00 7.13 H new ATOM 0 HG LEU A 50 -2.788 -5.143 3.116 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.597 -6.243 5.371 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -3.096 -7.400 4.113 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.413 -7.385 4.692 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.064 -4.525 4.950 1.00 8.14 H new ATOM 0 HD22 LEU A 50 0.085 -5.653 4.192 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.421 -4.183 3.327 1.00 8.14 H new ATOM 813 N GLU A 51 -0.694 -8.740 0.044 1.00 9.43 N ATOM 814 CA GLU A 51 -0.141 -9.321 -1.139 1.00 11.90 C ATOM 815 C GLU A 51 -0.688 -8.789 -2.419 1.00 11.49 C ATOM 816 O GLU A 51 -1.855 -8.401 -2.461 1.00 9.88 O ATOM 817 CB GLU A 51 -0.140 -10.859 -1.116 1.00 16.56 C ATOM 818 CG GLU A 51 0.520 -11.509 0.102 1.00 26.06 C ATOM 819 CD GLU A 51 0.933 -12.965 -0.057 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.184 -13.743 -0.706 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.131 -13.255 0.204 1.00 33.44 O ATOM 0 H GLU A 51 -1.611 -9.100 0.310 1.00 9.43 H new ATOM 0 HA GLU A 51 0.899 -8.995 -1.116 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.172 -11.205 -1.173 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.366 -11.216 -2.013 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.405 -10.928 0.364 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.169 -11.438 0.944 1.00 26.06 H new ATOM 828 N ASP A 52 0.092 -8.937 -3.504 1.00 12.71 N ATOM 829 CA ASP A 52 -0.107 -8.243 -4.738 1.00 16.56 C ATOM 830 C ASP A 52 -1.371 -8.384 -5.514 1.00 15.83 C ATOM 831 O ASP A 52 -1.976 -7.340 -5.753 1.00 17.21 O ATOM 832 CB ASP A 52 1.032 -8.857 -5.568 1.00 21.05 C ATOM 833 CG ASP A 52 2.415 -8.435 -5.093 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.774 -7.239 -5.269 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.075 -9.354 -4.538 1.00 25.82 O ATOM 0 H ASP A 52 0.895 -9.566 -3.522 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.142 -7.175 -4.523 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.957 -9.944 -5.528 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.909 -8.567 -6.612 1.00 21.05 H new ATOM 840 N GLY A 53 -1.839 -9.595 -5.866 1.00 15.00 N ATOM 841 CA GLY A 53 -3.042 -9.762 -6.621 1.00 11.77 C ATOM 842 C GLY A 53 -4.272 -10.031 -5.825 1.00 11.10 C ATOM 843 O GLY A 53 -5.163 -10.751 -6.273 1.00 11.25 O ATOM 0 H GLY A 53 -1.376 -10.471 -5.623 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.205 -8.862 -7.214 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.898 -10.584 -7.322 1.00 11.77 H new ATOM 847 N ARG A 54 -4.448 -9.485 -4.608 1.00 8.53 N ATOM 848 CA ARG A 54 -5.652 -9.493 -3.836 1.00 9.05 C ATOM 849 C ARG A 54 -6.076 -8.067 -3.764 1.00 8.96 C ATOM 850 O ARG A 54 -5.242 -7.182 -3.945 1.00 11.60 O ATOM 851 CB ARG A 54 -5.542 -10.100 -2.427 1.00 7.97 C ATOM 852 CG ARG A 54 -5.273 -11.596 -2.602 1.00 9.62 C ATOM 853 CD ARG A 54 -5.043 -12.294 -1.260 1.00 12.20 C ATOM 854 NE ARG A 54 -6.374 -12.367 -0.595 1.00 18.23 N ATOM 855 CZ ARG A 54 -6.472 -12.885 0.664 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.470 -13.524 1.336 1.00 23.38 N ATOM 857 NH2 ARG A 54 -7.570 -12.574 1.413 1.00 25.50 N ATOM 0 H ARG A 54 -3.689 -9.001 -4.128 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.375 -10.147 -4.324 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.736 -9.627 -1.865 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.461 -9.937 -1.864 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -6.117 -12.060 -3.113 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.399 -11.736 -3.239 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.626 -13.290 -1.406 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.333 -11.738 -0.649 1.00 12.20 H new ATOM 0 HE ARG A 54 -7.208 -12.032 -1.078 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.558 -13.645 0.896 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.634 -13.880 2.278 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -8.294 -11.967 1.029 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.666 -12.949 2.357 1.00 25.50 H new ATOM 871 N THR A 55 -7.398 -7.838 -3.662 1.00 9.05 N ATOM 872 CA THR A 55 -8.036 -6.563 -3.777 1.00 9.03 C ATOM 873 C THR A 55 -8.146 -5.882 -2.456 1.00 8.15 C ATOM 874 O THR A 55 -7.948 -6.400 -1.358 1.00 5.91 O ATOM 875 CB THR A 55 -9.359 -6.572 -4.485 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.409 -7.098 -3.687 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.233 -7.413 -5.766 1.00 11.71 C ATOM 0 H THR A 55 -8.063 -8.592 -3.488 1.00 9.05 H new ATOM 0 HA THR A 55 -7.372 -5.989 -4.423 1.00 9.03 H new ATOM 0 HB THR A 55 -9.614 -5.537 -4.713 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.247 -7.079 -4.195 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.190 -7.426 -6.288 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.472 -6.978 -6.414 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.948 -8.432 -5.505 1.00 11.71 H new ATOM 885 N LEU A 56 -8.567 -4.605 -2.461 1.00 6.91 N ATOM 886 CA LEU A 56 -8.648 -3.827 -1.264 1.00 8.29 C ATOM 887 C LEU A 56 -9.942 -4.123 -0.588 1.00 8.05 C ATOM 888 O LEU A 56 -10.027 -4.181 0.638 1.00 10.17 O ATOM 889 CB LEU A 56 -8.604 -2.350 -1.692 1.00 6.60 C ATOM 890 CG LEU A 56 -7.284 -1.737 -2.188 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.464 -0.301 -2.709 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.238 -1.914 -1.074 1.00 9.85 C ATOM 0 H LEU A 56 -8.854 -4.107 -3.304 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.833 -4.053 -0.576 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.341 -2.219 -2.484 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.940 -1.755 -0.843 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.916 -2.260 -3.070 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.503 0.086 -3.047 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.168 -0.301 -3.541 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.848 0.331 -1.908 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.288 -1.488 -1.396 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.577 -1.404 -0.172 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.107 -2.975 -0.863 1.00 9.85 H new ATOM 904 N SER A 57 -10.924 -4.447 -1.448 1.00 8.92 N ATOM 905 CA SER A 57 -12.229 -4.959 -1.166 1.00 9.00 C ATOM 906 C SER A 57 -12.076 -6.244 -0.426 1.00 9.44 C ATOM 907 O SER A 57 -12.855 -6.512 0.488 1.00 10.91 O ATOM 908 CB SER A 57 -13.136 -5.229 -2.378 1.00 10.32 C ATOM 909 OG SER A 57 -13.962 -4.107 -2.653 1.00 13.59 O ATOM 0 H SER A 57 -10.784 -4.337 -2.452 1.00 8.92 H new ATOM 0 HA SER A 57 -12.723 -4.170 -0.598 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.525 -5.458 -3.251 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.757 -6.104 -2.185 1.00 10.32 H new ATOM 0 HG SER A 57 -14.529 -4.300 -3.429 1.00 13.59 H new ATOM 915 N ASP A 58 -11.141 -7.167 -0.711 1.00 9.11 N ATOM 916 CA ASP A 58 -10.969 -8.401 -0.009 1.00 7.91 C ATOM 917 C ASP A 58 -10.719 -8.167 1.441 1.00 9.12 C ATOM 918 O ASP A 58 -11.378 -8.753 2.299 1.00 8.61 O ATOM 919 CB ASP A 58 -9.835 -9.197 -0.676 1.00 8.41 C ATOM 920 CG ASP A 58 -9.640 -10.665 -0.323 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.883 -11.139 0.818 1.00 10.05 O ATOM 922 OD2 ASP A 58 -9.103 -11.430 -1.167 1.00 11.70 O ATOM 0 H ASP A 58 -10.470 -7.046 -1.470 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.886 -8.988 -0.066 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.985 -9.138 -1.754 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.900 -8.681 -0.455 1.00 8.41 H new ATOM 927 N TYR A 59 -9.633 -7.439 1.757 1.00 7.97 N ATOM 928 CA TYR A 59 -9.031 -7.188 3.029 1.00 8.45 C ATOM 929 C TYR A 59 -9.865 -6.289 3.875 1.00 10.98 C ATOM 930 O TYR A 59 -9.685 -6.017 5.061 1.00 12.95 O ATOM 931 CB TYR A 59 -7.669 -6.474 3.063 1.00 7.94 C ATOM 932 CG TYR A 59 -6.549 -7.335 2.589 1.00 6.91 C ATOM 933 CD1 TYR A 59 -6.275 -8.581 3.103 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.906 -6.997 1.421 1.00 4.59 C ATOM 935 CE1 TYR A 59 -5.260 -9.373 2.622 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.966 -7.807 0.830 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.677 -9.010 1.430 1.00 6.76 C ATOM 938 OH TYR A 59 -3.685 -9.844 0.872 1.00 7.63 O ATOM 0 H TYR A 59 -9.112 -6.966 1.019 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.921 -8.216 3.375 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.719 -5.578 2.444 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.462 -6.146 4.082 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.881 -8.952 3.916 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.150 -6.057 0.949 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.932 -10.249 3.161 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.468 -7.507 -0.080 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.708 -10.719 1.313 1.00 7.63 H new ATOM 948 N ASN A 60 -10.878 -5.677 3.235 1.00 12.38 N ATOM 949 CA ASN A 60 -11.774 -4.766 3.877 1.00 13.94 C ATOM 950 C ASN A 60 -11.101 -3.517 4.333 1.00 14.16 C ATOM 951 O ASN A 60 -11.058 -3.124 5.498 1.00 14.26 O ATOM 952 CB ASN A 60 -12.573 -5.359 5.049 1.00 19.23 C ATOM 953 CG ASN A 60 -13.760 -4.495 5.450 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.812 -3.997 6.573 1.00 25.45 O ATOM 955 ND2 ASN A 60 -14.613 -4.223 4.426 1.00 24.09 N ATOM 0 H ASN A 60 -11.079 -5.820 2.245 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.487 -4.530 3.087 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -12.928 -6.352 4.775 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.913 -5.482 5.907 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -15.373 -3.556 4.559 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.492 -4.686 3.525 1.00 24.09 H new ATOM 962 N ILE A 61 -10.511 -2.768 3.385 1.00 11.08 N ATOM 963 CA ILE A 61 -9.837 -1.541 3.677 1.00 11.78 C ATOM 964 C ILE A 61 -10.777 -0.389 3.579 1.00 13.74 C ATOM 965 O ILE A 61 -11.558 -0.336 2.630 1.00 14.60 O ATOM 966 CB ILE A 61 -8.663 -1.307 2.772 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.696 -2.502 2.787 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.926 0.033 2.938 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.996 -2.755 4.121 1.00 11.42 C ATOM 0 H ILE A 61 -10.502 -3.019 2.396 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.463 -1.624 4.697 1.00 11.78 H new ATOM 0 HB ILE A 61 -9.111 -1.222 1.782 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -8.248 -3.400 2.509 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.937 -2.344 2.021 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.099 0.083 2.230 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.617 0.854 2.748 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.539 0.112 3.954 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.336 -3.618 4.028 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.410 -1.878 4.396 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -7.742 -2.950 4.892 1.00 11.42 H new ATOM 981 N GLN A 62 -10.777 0.598 4.493 1.00 13.97 N ATOM 982 CA GLN A 62 -11.727 1.661 4.599 1.00 15.52 C ATOM 983 C GLN A 62 -11.271 2.967 4.045 1.00 13.94 C ATOM 984 O GLN A 62 -10.190 3.083 3.469 1.00 12.15 O ATOM 985 CB GLN A 62 -12.063 1.745 6.097 1.00 19.53 C ATOM 986 CG GLN A 62 -12.671 0.465 6.676 1.00 26.38 C ATOM 987 CD GLN A 62 -13.151 0.507 8.120 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.243 0.035 8.433 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.243 0.923 9.042 1.00 32.71 N ATOM 0 H GLN A 62 -10.056 0.656 5.213 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.601 1.443 3.985 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.154 1.984 6.649 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.759 2.569 6.256 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.516 0.180 6.049 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.929 -0.329 6.591 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.349 1.309 8.739 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.456 0.849 10.037 1.00 32.71 H new ATOM 998 N LYS A 63 -12.093 4.020 4.198 1.00 11.73 N ATOM 999 CA LYS A 63 -11.719 5.315 3.721 1.00 11.97 C ATOM 1000 C LYS A 63 -10.753 6.033 4.601 1.00 10.41 C ATOM 1001 O LYS A 63 -10.734 5.791 5.807 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.961 6.207 3.561 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.043 5.670 2.622 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.235 6.629 2.643 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.570 5.916 2.420 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.743 6.771 2.710 1.00 25.97 N ATOM 0 H LYS A 63 -13.008 3.977 4.647 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.228 5.133 2.765 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.404 6.363 4.545 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.641 7.183 3.197 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.651 5.577 1.609 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.355 4.674 2.936 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.261 7.149 3.601 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.100 7.387 1.872 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.624 5.575 1.386 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.610 5.028 3.051 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.616 6.232 2.540 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.713 7.077 3.704 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.726 7.606 2.090 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.799 6.764 3.998 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.852 7.635 4.623 1.00 10.94 C ATOM 1022 C GLU A 64 -7.961 6.915 5.576 1.00 9.74 C ATOM 1023 O GLU A 64 -7.430 7.523 6.505 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.590 8.867 5.174 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.330 9.599 4.053 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.992 10.885 4.525 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.782 11.317 5.690 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.613 11.637 3.726 1.00 31.72 O ATOM 0 H GLU A 64 -9.681 6.743 2.985 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.141 8.016 3.890 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.298 8.559 5.944 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.878 9.542 5.648 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.629 9.830 3.251 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.088 8.938 3.633 1.00 24.16 H new ATOM 1035 N SER A 65 -7.696 5.632 5.274 1.00 6.85 N ATOM 1036 CA SER A 65 -6.877 4.757 6.055 1.00 6.90 C ATOM 1037 C SER A 65 -5.402 4.868 5.874 1.00 4.72 C ATOM 1038 O SER A 65 -4.952 5.376 4.849 1.00 3.91 O ATOM 1039 CB SER A 65 -7.447 3.332 5.965 1.00 7.28 C ATOM 1040 OG SER A 65 -6.685 2.323 6.613 1.00 10.56 O ATOM 0 H SER A 65 -8.073 5.181 4.441 1.00 6.85 H new ATOM 0 HA SER A 65 -6.943 5.099 7.088 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.450 3.334 6.391 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.548 3.066 4.913 1.00 7.28 H new ATOM 0 HG SER A 65 -7.128 1.456 6.501 1.00 10.56 H new ATOM 1046 N THR A 66 -4.549 4.434 6.819 1.00 4.48 N ATOM 1047 CA THR A 66 -3.158 4.766 6.816 1.00 3.80 C ATOM 1048 C THR A 66 -2.386 3.493 6.769 1.00 4.60 C ATOM 1049 O THR A 66 -2.361 2.791 7.780 1.00 5.33 O ATOM 1050 CB THR A 66 -2.647 5.589 7.961 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.098 6.928 7.823 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.114 5.718 7.978 1.00 3.40 C ATOM 0 H THR A 66 -4.831 3.841 7.600 1.00 4.48 H new ATOM 0 HA THR A 66 -3.023 5.405 5.944 1.00 3.80 H new ATOM 0 HB THR A 66 -3.004 5.084 8.858 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.765 7.464 8.573 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.809 6.325 8.831 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.666 4.727 8.059 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.779 6.193 7.056 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.817 3.110 5.612 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.969 1.989 5.351 1.00 3.85 C ATOM 1062 C LEU A 67 0.434 2.422 5.604 1.00 3.80 C ATOM 1063 O LEU A 67 0.756 3.579 5.336 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.930 1.643 3.852 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.290 1.128 3.353 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.464 0.965 1.833 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.780 -0.196 3.964 1.00 8.12 C ATOM 0 H LEU A 67 -1.972 3.653 4.762 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.334 1.160 5.957 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.644 2.527 3.282 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.166 0.887 3.673 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.891 1.966 3.706 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.467 0.595 1.619 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.321 1.929 1.345 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.728 0.255 1.457 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.748 -0.458 3.536 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.061 -0.986 3.746 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.879 -0.084 5.044 1.00 8.12 H new ATOM 1079 N HIS A 68 1.245 1.459 6.077 1.00 2.94 N ATOM 1080 CA HIS A 68 2.621 1.647 6.419 1.00 4.17 C ATOM 1081 C HIS A 68 3.495 1.136 5.325 1.00 5.32 C ATOM 1082 O HIS A 68 3.334 -0.008 4.901 1.00 7.70 O ATOM 1083 CB HIS A 68 3.006 0.880 7.695 1.00 5.57 C ATOM 1084 CG HIS A 68 2.507 1.649 8.883 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.159 1.590 10.097 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.382 2.377 9.115 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.382 2.281 10.974 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.300 2.803 10.425 1.00 16.30 N ATOM 0 H HIS A 68 0.925 0.502 6.228 1.00 2.94 H new ATOM 0 HA HIS A 68 2.759 2.717 6.577 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.572 -0.120 7.681 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.088 0.757 7.751 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.639 2.596 8.362 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.627 2.392 12.020 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.581 3.379 10.862 1.00 16.30 H new ATOM 1096 N LEU A 69 4.573 1.845 4.948 1.00 5.29 N ATOM 1097 CA LEU A 69 5.607 1.274 4.142 1.00 3.97 C ATOM 1098 C LEU A 69 6.837 0.996 4.936 1.00 5.07 C ATOM 1099 O LEU A 69 7.208 1.798 5.792 1.00 4.34 O ATOM 1100 CB LEU A 69 5.977 2.320 3.077 1.00 6.08 C ATOM 1101 CG LEU A 69 5.200 2.423 1.753 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.549 3.693 0.959 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.409 1.141 0.928 1.00 6.87 C ATOM 0 H LEU A 69 4.729 2.820 5.203 1.00 5.29 H new ATOM 0 HA LEU A 69 5.247 0.337 3.718 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.917 3.297 3.557 1.00 6.08 H new ATOM 0 HB3 LEU A 69 7.023 2.155 2.819 1.00 6.08 H new ATOM 0 HG LEU A 69 4.139 2.514 1.988 1.00 7.37 H new ATOM 0 HD11 LEU A 69 4.972 3.714 0.034 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.310 4.573 1.556 1.00 9.96 H new ATOM 0 HD13 LEU A 69 6.613 3.694 0.723 1.00 9.96 H new ATOM 0 HD21 LEU A 69 4.857 1.217 -0.009 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.470 1.014 0.715 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.047 0.282 1.493 1.00 6.87 H new ATOM 1115 N VAL A 70 7.538 -0.125 4.690 1.00 4.29 N ATOM 1116 CA VAL A 70 8.831 -0.474 5.192 1.00 6.26 C ATOM 1117 C VAL A 70 9.622 -1.078 4.083 1.00 9.22 C ATOM 1118 O VAL A 70 9.211 -1.037 2.924 1.00 9.36 O ATOM 1119 CB VAL A 70 8.727 -1.451 6.325 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.525 -0.563 7.564 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.473 -2.340 6.289 1.00 8.54 C ATOM 0 H VAL A 70 7.163 -0.854 4.083 1.00 4.29 H new ATOM 0 HA VAL A 70 9.320 0.425 5.568 1.00 6.26 H new ATOM 0 HB VAL A 70 9.602 -2.100 6.298 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.437 -1.190 8.451 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.379 0.106 7.675 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.616 0.026 7.445 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.481 -3.015 7.145 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.582 -1.714 6.329 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.466 -2.922 5.368 1.00 8.54 H new ATOM 1131 N LEU A 71 10.798 -1.676 4.343 1.00 12.71 N ATOM 1132 CA LEU A 71 11.800 -2.209 3.473 1.00 16.06 C ATOM 1133 C LEU A 71 11.711 -3.669 3.189 1.00 18.09 C ATOM 1134 O LEU A 71 11.653 -4.564 4.031 1.00 19.26 O ATOM 1135 CB LEU A 71 13.238 -1.823 3.859 1.00 17.10 C ATOM 1136 CG LEU A 71 13.582 -0.345 3.608 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.870 0.045 4.354 1.00 19.57 C ATOM 1138 CD2 LEU A 71 13.704 -0.038 2.106 1.00 17.51 C ATOM 0 H LEU A 71 11.083 -1.801 5.314 1.00 12.71 H new ATOM 0 HA LEU A 71 11.555 -1.710 2.535 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.391 -2.046 4.915 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.933 -2.447 3.297 1.00 17.10 H new ATOM 0 HG LEU A 71 12.761 0.257 3.998 1.00 19.37 H new ATOM 0 HD11 LEU A 71 15.097 1.094 4.164 1.00 19.57 H new ATOM 0 HD12 LEU A 71 14.731 -0.108 5.424 1.00 19.57 H new ATOM 0 HD13 LEU A 71 15.696 -0.574 4.003 1.00 19.57 H new ATOM 0 HD21 LEU A 71 13.948 1.015 1.969 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.493 -0.653 1.672 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.758 -0.259 1.611 1.00 17.51 H new ATOM 1150 N ARG A 72 11.683 -3.978 1.881 1.00 21.47 N ATOM 1151 CA ARG A 72 11.799 -5.305 1.361 1.00 25.83 C ATOM 1152 C ARG A 72 13.141 -5.579 0.774 1.00 27.74 C ATOM 1153 O ARG A 72 13.763 -4.706 0.171 1.00 30.65 O ATOM 1154 CB ARG A 72 10.694 -5.393 0.295 1.00 28.49 C ATOM 1155 CG ARG A 72 10.348 -6.789 -0.226 1.00 31.79 C ATOM 1156 CD ARG A 72 9.349 -6.655 -1.377 1.00 34.05 C ATOM 1157 NE ARG A 72 8.654 -7.949 -1.626 1.00 35.08 N ATOM 1158 CZ ARG A 72 7.952 -8.107 -2.786 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.226 -7.438 -3.943 1.00 35.02 N ATOM 1160 NH2 ARG A 72 6.929 -9.011 -2.786 1.00 34.97 N ATOM 0 H ARG A 72 11.575 -3.272 1.153 1.00 21.47 H new ATOM 0 HA ARG A 72 11.689 -6.052 2.147 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.788 -4.950 0.708 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.991 -4.778 -0.554 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.249 -7.298 -0.567 1.00 31.79 H new ATOM 0 HG3 ARG A 72 9.922 -7.395 0.574 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.617 -5.883 -1.141 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.869 -6.336 -2.281 1.00 34.05 H new ATOM 0 HE ARG A 72 8.702 -8.704 -0.942 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.997 -6.771 -3.976 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.660 -7.605 -4.775 1.00 35.02 H new ATOM 0 HH21 ARG A 72 6.714 -9.538 -1.940 1.00 34.97 H new ATOM 0 HH22 ARG A 72 6.379 -9.159 -3.632 1.00 34.97 H new ATOM 1174 N LEU A 73 13.600 -6.841 0.847 1.00 28.93 N ATOM 1175 CA LEU A 73 14.790 -7.362 0.248 1.00 30.76 C ATOM 1176 C LEU A 73 14.692 -7.282 -1.236 1.00 32.18 C ATOM 1177 O LEU A 73 15.462 -6.632 -1.942 1.00 32.31 O ATOM 1178 CB LEU A 73 15.111 -8.777 0.757 1.00 30.53 C ATOM 1179 CG LEU A 73 15.644 -9.019 2.179 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.523 -10.476 2.657 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.098 -8.523 2.259 1.00 29.57 C ATOM 0 H LEU A 73 13.095 -7.556 1.370 1.00 28.93 H new ATOM 0 HA LEU A 73 15.636 -6.745 0.551 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.198 -9.364 0.657 1.00 30.53 H new ATOM 0 HB3 LEU A 73 15.841 -9.203 0.069 1.00 30.53 H new ATOM 0 HG LEU A 73 15.012 -8.451 2.862 1.00 30.16 H new ATOM 0 HD11 LEU A 73 15.921 -10.561 3.668 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.475 -10.774 2.653 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.088 -11.126 1.989 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.485 -8.690 3.264 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.709 -9.069 1.540 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.132 -7.458 2.030 1.00 29.57 H new ATOM 1193 N ARG A 74 13.752 -8.008 -1.868 1.00 33.82 N ATOM 1194 CA ARG A 74 13.574 -7.825 -3.274 1.00 35.33 C ATOM 1195 C ARG A 74 12.208 -8.204 -3.734 1.00 36.22 C ATOM 1196 O ARG A 74 11.377 -7.313 -3.901 1.00 36.70 O ATOM 1197 CB ARG A 74 14.619 -8.394 -4.248 1.00 36.91 C ATOM 1198 CG ARG A 74 14.406 -7.958 -5.700 1.00 38.62 C ATOM 1199 CD ARG A 74 15.551 -8.481 -6.570 1.00 39.75 C ATOM 1200 NE ARG A 74 15.379 -7.744 -7.854 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.287 -8.362 -9.067 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.559 -9.692 -9.210 1.00 42.75 N ATOM 1203 NH2 ARG A 74 14.663 -7.693 -10.080 1.00 41.93 N ATOM 0 H ARG A 74 13.139 -8.694 -1.428 1.00 33.82 H new ATOM 0 HA ARG A 74 13.735 -6.749 -3.334 1.00 35.33 H new ATOM 0 HB2 ARG A 74 15.612 -8.081 -3.926 1.00 36.91 H new ATOM 0 HB3 ARG A 74 14.596 -9.483 -4.197 1.00 36.91 H new ATOM 0 HG2 ARG A 74 13.454 -8.339 -6.068 1.00 38.62 H new ATOM 0 HG3 ARG A 74 14.359 -6.871 -5.760 1.00 38.62 H new ATOM 0 HD2 ARG A 74 16.522 -8.279 -6.119 1.00 39.75 H new ATOM 0 HD3 ARG A 74 15.485 -9.559 -6.714 1.00 39.75 H new ATOM 0 HE ARG A 74 15.327 -6.726 -7.824 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.838 -10.246 -8.400 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.483 -10.132 -10.127 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.283 -6.760 -9.917 1.00 41.93 H new ATOM 0 HH22 ARG A 74 14.577 -8.126 -11.000 1.00 41.93 H new ATOM 1217 N GLY A 75 11.890 -9.496 -3.929 1.00 36.31 N ATOM 1218 CA GLY A 75 10.662 -9.968 -4.489 1.00 36.07 C ATOM 1219 C GLY A 75 10.149 -11.105 -3.674 1.00 36.16 C ATOM 1220 O GLY A 75 9.744 -12.138 -4.207 1.00 36.26 O ATOM 0 H GLY A 75 12.526 -10.254 -3.682 1.00 36.31 H new ATOM 0 HA2 GLY A 75 9.928 -9.163 -4.513 1.00 36.07 H new ATOM 0 HA3 GLY A 75 10.819 -10.287 -5.519 1.00 36.07 H new ATOM 1224 N GLY A 76 10.047 -10.956 -2.342 1.00 36.05 N ATOM 1225 CA GLY A 76 9.760 -12.096 -1.528 1.00 36.19 C ATOM 1226 C GLY A 76 9.184 -11.636 -0.197 1.00 36.20 C ATOM 1227 O GLY A 76 8.038 -12.038 0.141 1.00 36.13 O ATOM 1228 OXT GLY A 76 9.817 -10.786 0.485 1.00 36.27 O ATOM 0 H GLY A 76 10.159 -10.075 -1.840 1.00 36.05 H new ATOM 0 HA2 GLY A 76 9.052 -12.750 -2.036 1.00 36.19 H new ATOM 0 HA3 GLY A 76 10.668 -12.676 -1.363 1.00 36.19 H new TER 1232 GLY A 76