USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot -67:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -49:sc= 1.25 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.57 K(o=2.8,f=-5.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00153 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -105:sc= 1.02 (180deg=-0.126) USER MOD Set 4.2: A 12 THR OG1 : rot -30:sc= 0.893 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00959) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.4 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.946 (180deg=0.191!) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.0969 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.054) USER MOD Single : A 41 GLN : amide:sc= -0.389 K(o=-0.39,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.57 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 62 GLN : amide:sc= 0.361 X(o=0.36,f=-0.021) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -139:sc= 0.283 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.213 -7.409 -4.937 1.00 9.67 N ATOM 2 CA MET A 1 11.198 -7.722 -3.479 1.00 10.38 C ATOM 3 C MET A 1 9.815 -7.939 -2.983 1.00 9.62 C ATOM 4 O MET A 1 8.805 -7.329 -3.318 1.00 9.62 O ATOM 5 CB MET A 1 12.082 -6.798 -2.720 1.00 13.77 C ATOM 6 CG MET A 1 11.486 -5.394 -2.389 1.00 16.29 C ATOM 7 SD MET A 1 12.659 -4.247 -1.623 1.00 17.17 S ATOM 8 CE MET A 1 11.389 -3.094 -1.158 1.00 16.11 C ATOM 0 H1 MET A 1 12.186 -7.480 -5.297 1.00 9.67 H new ATOM 0 H2 MET A 1 10.606 -8.085 -5.443 1.00 9.67 H new ATOM 0 H3 MET A 1 10.858 -6.443 -5.088 1.00 9.67 H new ATOM 0 HA MET A 1 11.660 -8.691 -3.290 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.361 -7.282 -1.784 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.000 -6.655 -3.291 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.107 -4.947 -3.308 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.633 -5.522 -1.722 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.844 -2.221 -0.691 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.836 -2.785 -2.045 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.707 -3.569 -0.453 1.00 16.11 H new ATOM 20 N GLN A 2 9.714 -8.947 -2.076 1.00 9.27 N ATOM 21 CA GLN A 2 8.443 -9.226 -1.418 1.00 9.07 C ATOM 22 C GLN A 2 8.115 -8.246 -0.264 1.00 8.72 C ATOM 23 O GLN A 2 8.890 -7.791 0.560 1.00 8.22 O ATOM 24 CB GLN A 2 8.374 -10.676 -0.919 1.00 14.46 C ATOM 25 CG GLN A 2 6.964 -11.148 -0.488 1.00 17.01 C ATOM 26 CD GLN A 2 6.822 -12.659 -0.294 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.053 -13.103 0.820 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.631 -13.374 -1.389 1.00 19.49 N ATOM 0 H GLN A 2 10.484 -9.556 -1.800 1.00 9.27 H new ATOM 0 HA GLN A 2 7.682 -9.077 -2.184 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.737 -11.335 -1.708 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.053 -10.787 -0.074 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.699 -10.650 0.445 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.243 -10.823 -1.238 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.443 -12.907 -2.276 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.671 -14.392 -1.347 1.00 19.49 H new ATOM 37 N ILE A 3 6.812 -7.914 -0.151 1.00 5.87 N ATOM 38 CA ILE A 3 6.235 -7.135 0.935 1.00 5.07 C ATOM 39 C ILE A 3 4.844 -7.611 1.267 1.00 4.01 C ATOM 40 O ILE A 3 4.121 -8.169 0.417 1.00 4.61 O ATOM 41 CB ILE A 3 6.145 -5.630 0.723 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.412 -5.309 -0.600 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.566 -4.978 0.757 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.731 -3.944 -0.653 1.00 10.83 C ATOM 0 H ILE A 3 6.119 -8.197 -0.844 1.00 5.87 H new ATOM 0 HA ILE A 3 6.947 -7.302 1.743 1.00 5.07 H new ATOM 0 HB ILE A 3 5.564 -5.202 1.540 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.130 -5.371 -1.418 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.661 -6.079 -0.776 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.477 -3.903 0.603 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.031 -5.169 1.724 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.182 -5.407 -0.033 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.246 -3.816 -1.621 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.984 -3.879 0.138 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.476 -3.160 -0.514 1.00 10.83 H new ATOM 56 N PHE A 4 4.400 -7.403 2.546 1.00 4.55 N ATOM 57 CA PHE A 4 3.107 -7.828 3.064 1.00 4.68 C ATOM 58 C PHE A 4 2.229 -6.605 3.368 1.00 5.30 C ATOM 59 O PHE A 4 2.701 -5.698 4.032 1.00 5.58 O ATOM 60 CB PHE A 4 3.178 -8.767 4.267 1.00 4.83 C ATOM 61 CG PHE A 4 4.204 -9.881 4.014 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.842 -10.933 3.115 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.393 -9.988 4.766 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.709 -11.976 2.967 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.162 -11.129 4.682 1.00 10.61 C ATOM 66 CZ PHE A 4 5.869 -12.109 3.765 1.00 8.90 C ATOM 0 H PHE A 4 4.965 -6.920 3.245 1.00 4.55 H new ATOM 0 HA PHE A 4 2.651 -8.423 2.273 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.454 -8.205 5.160 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.197 -9.203 4.455 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.910 -10.903 2.570 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.701 -9.176 5.408 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.503 -12.724 2.216 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.005 -11.254 5.345 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.515 -12.968 3.655 1.00 8.90 H new ATOM 76 N VAL A 5 0.987 -6.554 2.841 1.00 4.44 N ATOM 77 CA VAL A 5 0.085 -5.438 3.064 1.00 3.87 C ATOM 78 C VAL A 5 -0.999 -6.006 3.974 1.00 4.93 C ATOM 79 O VAL A 5 -1.839 -6.826 3.578 1.00 6.84 O ATOM 80 CB VAL A 5 -0.523 -4.929 1.758 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.509 -3.750 2.047 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.589 -4.451 0.861 1.00 9.13 C ATOM 0 H VAL A 5 0.596 -7.290 2.253 1.00 4.44 H new ATOM 0 HA VAL A 5 0.601 -4.583 3.500 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.075 -5.734 1.273 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.936 -3.395 1.109 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.308 -4.096 2.702 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.970 -2.936 2.531 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.169 -4.085 -0.076 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.133 -3.646 1.354 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.270 -5.276 0.655 1.00 9.13 H new ATOM 92 N LYS A 6 -1.075 -5.618 5.258 1.00 6.04 N ATOM 93 CA LYS A 6 -1.964 -6.193 6.230 1.00 6.12 C ATOM 94 C LYS A 6 -3.356 -5.491 6.366 1.00 6.57 C ATOM 95 O LYS A 6 -3.413 -4.266 6.491 1.00 5.76 O ATOM 96 CB LYS A 6 -1.260 -6.481 7.554 1.00 7.45 C ATOM 97 CG LYS A 6 -0.075 -7.460 7.566 1.00 11.12 C ATOM 98 CD LYS A 6 0.346 -7.868 9.024 1.00 14.54 C ATOM 99 CE LYS A 6 -0.515 -8.974 9.716 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.130 -10.204 9.040 1.00 20.55 N ATOM 0 H LYS A 6 -0.494 -4.872 5.640 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.244 -7.164 5.821 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.906 -5.530 7.953 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.008 -6.860 8.250 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.340 -8.355 7.003 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.775 -7.004 7.059 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.381 -8.209 8.997 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.320 -6.975 9.649 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.310 -9.027 10.785 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.581 -8.776 9.605 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.886 -10.492 8.387 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.748 -10.046 8.505 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.024 -10.954 9.744 1.00 20.55 H new ATOM 114 N THR A 7 -4.531 -6.178 6.288 1.00 7.41 N ATOM 115 CA THR A 7 -5.831 -5.641 6.542 1.00 7.48 C ATOM 116 C THR A 7 -6.126 -5.482 8.066 1.00 8.75 C ATOM 117 O THR A 7 -5.430 -6.048 8.842 1.00 8.58 O ATOM 118 CB THR A 7 -7.020 -6.302 5.907 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.490 -7.480 6.551 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.733 -6.642 4.379 1.00 9.17 C ATOM 0 H THR A 7 -4.561 -7.165 6.032 1.00 7.41 H new ATOM 0 HA THR A 7 -5.735 -4.680 6.036 1.00 7.48 H new ATOM 0 HB THR A 7 -7.812 -5.560 6.011 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.264 -7.832 6.064 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.610 -7.120 3.942 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.513 -5.722 3.837 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.880 -7.317 4.310 1.00 9.17 H new ATOM 128 N LEU A 8 -7.099 -4.655 8.399 1.00 9.84 N ATOM 129 CA LEU A 8 -7.498 -4.251 9.689 1.00 14.15 C ATOM 130 C LEU A 8 -7.944 -5.378 10.585 1.00 17.37 C ATOM 131 O LEU A 8 -7.664 -5.380 11.775 1.00 17.01 O ATOM 132 CB LEU A 8 -8.623 -3.185 9.628 1.00 16.63 C ATOM 133 CG LEU A 8 -8.939 -2.476 10.947 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.764 -1.646 11.430 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.243 -1.764 10.783 1.00 18.59 C ATOM 0 H LEU A 8 -7.675 -4.217 7.680 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.596 -3.827 10.129 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.345 -2.432 8.890 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.533 -3.664 9.268 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.075 -3.180 11.768 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.025 -1.157 12.369 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.901 -2.293 11.586 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.521 -0.890 10.683 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.495 -1.248 11.710 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.162 -1.038 9.974 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.024 -2.486 10.546 1.00 18.59 H new ATOM 147 N THR A 9 -8.516 -6.402 9.912 1.00 18.33 N ATOM 148 CA THR A 9 -8.938 -7.706 10.409 1.00 19.24 C ATOM 149 C THR A 9 -7.986 -8.866 10.008 1.00 19.48 C ATOM 150 O THR A 9 -8.333 -10.061 10.071 1.00 23.14 O ATOM 151 CB THR A 9 -10.267 -8.084 9.858 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.324 -7.972 8.415 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.311 -7.144 10.435 1.00 19.70 C ATOM 0 H THR A 9 -8.706 -6.315 8.914 1.00 18.33 H new ATOM 0 HA THR A 9 -8.948 -7.587 11.492 1.00 19.24 H new ATOM 0 HB THR A 9 -10.449 -9.124 10.127 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.215 -8.232 8.102 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.293 -7.406 10.042 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.319 -7.232 11.521 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.071 -6.118 10.156 1.00 19.70 H new ATOM 161 N GLY A 10 -6.765 -8.518 9.643 1.00 19.43 N ATOM 162 CA GLY A 10 -5.665 -9.486 9.563 1.00 18.74 C ATOM 163 C GLY A 10 -5.524 -10.397 8.336 1.00 17.62 C ATOM 164 O GLY A 10 -4.658 -11.335 8.370 1.00 19.74 O ATOM 0 H GLY A 10 -6.500 -7.565 9.393 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.735 -8.926 9.658 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.739 -10.132 10.438 1.00 18.74 H new ATOM 168 N LYS A 11 -6.332 -10.160 7.260 1.00 13.56 N ATOM 169 CA LYS A 11 -6.016 -10.620 5.942 1.00 11.91 C ATOM 170 C LYS A 11 -4.739 -9.992 5.402 1.00 10.18 C ATOM 171 O LYS A 11 -4.445 -8.793 5.600 1.00 9.10 O ATOM 172 CB LYS A 11 -7.226 -10.392 4.979 1.00 13.43 C ATOM 173 CG LYS A 11 -7.129 -11.179 3.702 1.00 16.69 C ATOM 174 CD LYS A 11 -8.368 -11.104 2.769 1.00 17.92 C ATOM 175 CE LYS A 11 -8.352 -12.160 1.613 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.234 -11.925 0.724 1.00 21.93 N ATOM 0 H LYS A 11 -7.209 -9.643 7.319 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.826 -11.692 6.003 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.147 -10.663 5.495 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.295 -9.331 4.739 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.258 -10.830 3.147 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.949 -12.224 3.954 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.269 -11.245 3.365 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.425 -10.105 2.336 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.286 -13.164 2.031 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.286 -12.109 1.053 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.470 -12.268 -0.229 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.030 -10.906 0.685 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.397 -12.432 1.077 1.00 21.93 H new ATOM 190 N THR A 12 -3.859 -10.855 4.873 1.00 9.63 N ATOM 191 CA THR A 12 -2.439 -10.499 4.639 1.00 9.85 C ATOM 192 C THR A 12 -2.270 -10.700 3.141 1.00 11.66 C ATOM 193 O THR A 12 -2.299 -11.864 2.724 1.00 12.33 O ATOM 194 CB THR A 12 -1.447 -11.334 5.429 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.620 -11.061 6.813 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.008 -11.015 5.067 1.00 9.63 C ATOM 0 H THR A 12 -4.100 -11.807 4.597 1.00 9.63 H new ATOM 0 HA THR A 12 -2.226 -9.485 4.976 1.00 9.85 H new ATOM 0 HB THR A 12 -1.637 -12.381 5.193 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.933 -10.140 6.928 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.663 -11.638 5.659 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.153 -11.213 4.007 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.195 -9.964 5.275 1.00 9.63 H new ATOM 204 N ILE A 13 -2.127 -9.584 2.420 1.00 10.42 N ATOM 205 CA ILE A 13 -1.984 -9.612 1.003 1.00 11.84 C ATOM 206 C ILE A 13 -0.443 -9.652 0.782 1.00 10.55 C ATOM 207 O ILE A 13 0.258 -8.866 1.420 1.00 11.92 O ATOM 208 CB ILE A 13 -2.544 -8.356 0.258 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.953 -7.937 0.773 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.578 -8.706 -1.265 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.460 -6.503 0.512 1.00 16.46 C ATOM 0 H ILE A 13 -2.110 -8.647 2.824 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.547 -10.456 0.604 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.900 -7.497 0.448 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.678 -8.625 0.337 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.968 -8.098 1.851 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.964 -7.854 -1.825 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.570 -8.939 -1.607 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.224 -9.569 -1.426 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.456 -6.386 0.938 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.781 -5.787 0.975 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.502 -6.322 -0.562 1.00 16.46 H new ATOM 223 N THR A 14 0.088 -10.634 0.023 1.00 9.39 N ATOM 224 CA THR A 14 1.507 -10.775 -0.301 1.00 9.63 C ATOM 225 C THR A 14 1.863 -10.311 -1.712 1.00 11.20 C ATOM 226 O THR A 14 1.380 -10.813 -2.758 1.00 11.63 O ATOM 227 CB THR A 14 1.982 -12.216 -0.343 1.00 10.38 C ATOM 228 OG1 THR A 14 1.810 -12.780 0.909 1.00 16.30 O ATOM 229 CG2 THR A 14 3.450 -12.354 -0.659 1.00 11.66 C ATOM 0 H THR A 14 -0.485 -11.370 -0.390 1.00 9.39 H new ATOM 0 HA THR A 14 1.966 -10.181 0.489 1.00 9.63 H new ATOM 0 HB THR A 14 1.401 -12.704 -1.126 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.510 -12.455 1.513 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.722 -13.410 -0.673 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.655 -11.914 -1.635 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.036 -11.839 0.102 1.00 11.66 H new ATOM 237 N LEU A 15 2.704 -9.331 -1.856 1.00 8.29 N ATOM 238 CA LEU A 15 2.933 -8.688 -3.202 1.00 9.03 C ATOM 239 C LEU A 15 4.395 -8.782 -3.604 1.00 8.59 C ATOM 240 O LEU A 15 5.278 -9.302 -2.939 1.00 7.79 O ATOM 241 CB LEU A 15 2.547 -7.137 -3.256 1.00 11.08 C ATOM 242 CG LEU A 15 1.173 -6.732 -2.817 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.963 -5.214 -2.888 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.106 -7.390 -3.758 1.00 15.27 C ATOM 0 H LEU A 15 3.256 -8.934 -1.096 1.00 8.29 H new ATOM 0 HA LEU A 15 2.282 -9.239 -3.881 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.266 -6.594 -2.642 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.682 -6.796 -4.282 1.00 11.08 H new ATOM 0 HG LEU A 15 1.064 -7.061 -1.784 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.048 -4.971 -2.560 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.685 -4.716 -2.240 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.103 -4.875 -3.914 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.893 -7.095 -3.438 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.271 -7.059 -4.783 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.197 -8.475 -3.708 1.00 15.27 H new ATOM 256 N GLU A 16 4.636 -8.291 -4.778 1.00 11.04 N ATOM 257 CA GLU A 16 5.983 -8.261 -5.364 1.00 11.50 C ATOM 258 C GLU A 16 6.188 -6.820 -5.888 1.00 10.13 C ATOM 259 O GLU A 16 5.379 -6.265 -6.692 1.00 9.83 O ATOM 260 CB GLU A 16 5.994 -9.292 -6.522 1.00 17.22 C ATOM 261 CG GLU A 16 7.346 -9.289 -7.311 1.00 23.33 C ATOM 262 CD GLU A 16 8.482 -9.573 -6.380 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.360 -10.572 -5.673 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.514 -8.843 -6.446 1.00 28.90 O ATOM 0 H GLU A 16 3.915 -7.892 -5.379 1.00 11.04 H new ATOM 0 HA GLU A 16 6.778 -8.513 -4.662 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.814 -10.289 -6.119 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.176 -9.073 -7.208 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.317 -10.039 -8.102 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.493 -8.323 -7.793 1.00 23.33 H new ATOM 271 N VAL A 17 7.233 -6.188 -5.328 1.00 8.99 N ATOM 272 CA VAL A 17 7.469 -4.739 -5.582 1.00 8.85 C ATOM 273 C VAL A 17 8.947 -4.442 -5.797 1.00 8.04 C ATOM 274 O VAL A 17 9.822 -5.274 -5.513 1.00 8.99 O ATOM 275 CB VAL A 17 6.908 -3.811 -4.501 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.383 -4.010 -4.309 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.744 -4.042 -3.190 1.00 10.54 C ATOM 0 H VAL A 17 7.915 -6.633 -4.713 1.00 8.99 H new ATOM 0 HA VAL A 17 6.915 -4.526 -6.496 1.00 8.85 H new ATOM 0 HB VAL A 17 7.010 -2.768 -4.799 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.023 -3.334 -3.534 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.867 -3.796 -5.245 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.185 -5.040 -4.013 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.367 -3.393 -2.399 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.653 -5.083 -2.879 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.792 -3.810 -3.381 1.00 10.54 H new ATOM 287 N GLU A 18 9.358 -3.270 -6.248 1.00 7.29 N ATOM 288 CA GLU A 18 10.746 -2.818 -6.305 1.00 7.08 C ATOM 289 C GLU A 18 10.875 -1.548 -5.478 1.00 6.45 C ATOM 290 O GLU A 18 9.858 -0.857 -5.275 1.00 5.28 O ATOM 291 CB GLU A 18 11.276 -2.641 -7.716 1.00 10.28 C ATOM 292 CG GLU A 18 11.193 -3.977 -8.564 1.00 12.65 C ATOM 293 CD GLU A 18 12.314 -4.995 -8.300 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.504 -4.725 -8.651 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.039 -6.126 -7.805 1.00 14.33 O ATOM 0 H GLU A 18 8.705 -2.571 -6.602 1.00 7.29 H new ATOM 0 HA GLU A 18 11.375 -3.601 -5.882 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.708 -1.859 -8.219 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.312 -2.305 -7.673 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.235 -4.456 -8.363 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.203 -3.717 -9.622 1.00 12.65 H new ATOM 302 N PRO A 19 12.007 -1.128 -4.898 1.00 7.24 N ATOM 303 CA PRO A 19 12.140 0.198 -4.247 1.00 7.07 C ATOM 304 C PRO A 19 11.814 1.444 -4.935 1.00 6.65 C ATOM 305 O PRO A 19 11.231 2.269 -4.237 1.00 6.37 O ATOM 306 CB PRO A 19 13.600 0.096 -3.794 1.00 7.61 C ATOM 307 CG PRO A 19 14.043 -1.391 -3.867 1.00 8.16 C ATOM 308 CD PRO A 19 13.244 -1.967 -5.003 1.00 7.49 C ATOM 0 HA PRO A 19 11.359 0.329 -3.498 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.237 0.711 -4.430 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.707 0.472 -2.777 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.114 -1.477 -4.051 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.837 -1.913 -2.932 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.745 -1.854 -5.965 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.040 -3.030 -4.873 1.00 7.49 H new ATOM 316 N SER A 20 12.123 1.665 -6.221 1.00 6.80 N ATOM 317 CA SER A 20 11.829 2.986 -6.829 1.00 6.28 C ATOM 318 C SER A 20 10.325 3.036 -7.201 1.00 8.45 C ATOM 319 O SER A 20 9.772 4.050 -7.637 1.00 7.26 O ATOM 320 CB SER A 20 12.542 3.243 -8.207 1.00 8.57 C ATOM 321 OG SER A 20 13.971 3.044 -8.011 1.00 11.13 O ATOM 0 H SER A 20 12.558 0.984 -6.844 1.00 6.80 H new ATOM 0 HA SER A 20 12.163 3.714 -6.089 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.162 2.561 -8.967 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.342 4.255 -8.558 1.00 8.57 H new ATOM 0 HG SER A 20 14.442 3.196 -8.857 1.00 11.13 H new ATOM 327 N ASP A 21 9.582 1.885 -7.162 1.00 7.50 N ATOM 328 CA ASP A 21 8.162 1.881 -7.433 1.00 7.70 C ATOM 329 C ASP A 21 7.340 2.819 -6.550 1.00 7.08 C ATOM 330 O ASP A 21 7.668 3.118 -5.401 1.00 8.11 O ATOM 331 CB ASP A 21 7.593 0.444 -7.361 1.00 11.00 C ATOM 332 CG ASP A 21 8.150 -0.445 -8.449 1.00 15.32 C ATOM 333 OD1 ASP A 21 9.016 -0.015 -9.219 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.619 -1.596 -8.600 1.00 14.36 O ATOM 0 H ASP A 21 9.969 0.967 -6.943 1.00 7.50 H new ATOM 0 HA ASP A 21 8.066 2.271 -8.446 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.824 0.012 -6.387 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.507 0.480 -7.444 1.00 11.00 H new ATOM 339 N THR A 22 6.223 3.409 -6.971 1.00 5.37 N ATOM 340 CA THR A 22 5.424 4.368 -6.233 1.00 6.01 C ATOM 341 C THR A 22 4.236 3.719 -5.490 1.00 8.01 C ATOM 342 O THR A 22 3.838 2.560 -5.731 1.00 8.11 O ATOM 343 CB THR A 22 4.855 5.476 -7.154 1.00 8.92 C ATOM 344 OG1 THR A 22 3.805 5.048 -8.060 1.00 10.22 O ATOM 345 CG2 THR A 22 5.918 6.235 -7.952 1.00 9.65 C ATOM 0 H THR A 22 5.833 3.214 -7.893 1.00 5.37 H new ATOM 0 HA THR A 22 6.111 4.797 -5.503 1.00 6.01 H new ATOM 0 HB THR A 22 4.409 6.154 -6.427 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.090 4.238 -8.532 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.437 6.992 -8.571 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.614 6.716 -7.265 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.462 5.537 -8.589 1.00 9.65 H new ATOM 353 N ILE A 23 3.636 4.529 -4.627 1.00 8.32 N ATOM 354 CA ILE A 23 2.490 4.150 -3.773 1.00 9.92 C ATOM 355 C ILE A 23 1.244 3.982 -4.579 1.00 10.01 C ATOM 356 O ILE A 23 0.381 3.113 -4.376 1.00 8.71 O ATOM 357 CB ILE A 23 2.239 5.203 -2.691 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.516 5.463 -1.851 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.035 4.922 -1.771 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.982 4.250 -1.024 1.00 12.30 C ATOM 0 H ILE A 23 3.932 5.495 -4.489 1.00 8.32 H new ATOM 0 HA ILE A 23 2.745 3.200 -3.304 1.00 9.92 H new ATOM 0 HB ILE A 23 1.974 6.104 -3.245 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.322 5.765 -2.519 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.331 6.299 -1.177 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.941 5.724 -1.039 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.125 4.868 -2.369 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.186 3.975 -1.253 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.880 4.514 -0.465 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.194 3.960 -0.329 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.202 3.417 -1.692 1.00 12.30 H new ATOM 372 N GLU A 24 1.151 4.795 -5.639 1.00 9.54 N ATOM 373 CA GLU A 24 0.184 4.570 -6.659 1.00 11.81 C ATOM 374 C GLU A 24 0.306 3.180 -7.400 1.00 11.14 C ATOM 375 O GLU A 24 -0.677 2.471 -7.699 1.00 10.62 O ATOM 376 CB GLU A 24 0.252 5.738 -7.646 1.00 19.24 C ATOM 377 CG GLU A 24 -0.941 5.922 -8.656 1.00 27.76 C ATOM 378 CD GLU A 24 -0.714 7.135 -9.476 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.691 8.315 -9.037 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.588 6.973 -10.721 1.00 34.80 O ATOM 0 H GLU A 24 1.746 5.609 -5.790 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.791 4.520 -6.175 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.346 6.658 -7.069 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.168 5.631 -8.227 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.025 5.046 -9.299 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.881 6.009 -8.112 1.00 27.76 H new ATOM 387 N ASN A 25 1.541 2.685 -7.713 1.00 9.43 N ATOM 388 CA ASN A 25 1.719 1.300 -8.248 1.00 10.96 C ATOM 389 C ASN A 25 1.328 0.262 -7.194 1.00 9.68 C ATOM 390 O ASN A 25 0.874 -0.798 -7.585 1.00 9.33 O ATOM 391 CB ASN A 25 3.114 0.934 -8.770 1.00 16.78 C ATOM 392 CG ASN A 25 3.655 2.006 -9.736 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.501 2.802 -9.357 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.161 1.913 -10.999 1.00 24.70 N ATOM 0 H ASN A 25 2.409 3.211 -7.607 1.00 9.43 H new ATOM 0 HA ASN A 25 1.061 1.289 -9.117 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.800 0.820 -7.930 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.072 -0.029 -9.280 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.498 2.544 -11.726 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.453 1.212 -11.219 1.00 24.70 H new ATOM 401 N VAL A 26 1.510 0.520 -5.838 1.00 6.52 N ATOM 402 CA VAL A 26 1.140 -0.458 -4.787 1.00 5.53 C ATOM 403 C VAL A 26 -0.375 -0.671 -4.768 1.00 4.42 C ATOM 404 O VAL A 26 -0.903 -1.784 -4.810 1.00 3.40 O ATOM 405 CB VAL A 26 1.532 -0.038 -3.378 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.981 -0.917 -2.240 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.021 -0.033 -3.313 1.00 8.12 C ATOM 0 H VAL A 26 1.905 1.388 -5.477 1.00 6.52 H new ATOM 0 HA VAL A 26 1.689 -1.363 -5.048 1.00 5.53 H new ATOM 0 HB VAL A 26 1.086 0.943 -3.211 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.322 -0.527 -1.281 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.109 -0.908 -2.268 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.339 -1.939 -2.364 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.341 0.264 -2.314 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.398 -1.032 -3.532 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.415 0.672 -4.045 1.00 8.12 H new ATOM 417 N LYS A 27 -1.138 0.455 -4.773 1.00 2.64 N ATOM 418 CA LYS A 27 -2.552 0.463 -4.856 1.00 4.14 C ATOM 419 C LYS A 27 -3.089 -0.369 -6.068 1.00 5.58 C ATOM 420 O LYS A 27 -4.036 -1.141 -5.950 1.00 4.11 O ATOM 421 CB LYS A 27 -3.161 1.884 -5.056 1.00 3.97 C ATOM 422 CG LYS A 27 -2.833 2.829 -3.921 1.00 7.45 C ATOM 423 CD LYS A 27 -3.492 4.156 -4.075 1.00 9.02 C ATOM 424 CE LYS A 27 -2.801 5.322 -3.223 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.500 6.577 -3.503 1.00 15.47 N ATOM 0 H LYS A 27 -0.735 1.390 -4.716 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.852 0.038 -3.898 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.791 2.304 -5.991 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.244 1.800 -5.151 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.143 2.380 -2.978 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.753 2.967 -3.868 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.485 4.435 -5.129 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.536 4.070 -3.776 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.847 5.092 -2.159 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.747 5.409 -3.485 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.957 7.372 -3.110 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.596 6.699 -4.531 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.444 6.553 -3.067 1.00 15.47 H new ATOM 439 N ALA A 28 -2.430 -0.260 -7.231 1.00 6.61 N ATOM 440 CA ALA A 28 -2.841 -1.124 -8.350 1.00 7.74 C ATOM 441 C ALA A 28 -2.507 -2.615 -8.164 1.00 9.17 C ATOM 442 O ALA A 28 -3.287 -3.429 -8.594 1.00 11.45 O ATOM 443 CB ALA A 28 -2.130 -0.643 -9.610 1.00 7.68 C ATOM 0 H ALA A 28 -1.656 0.377 -7.419 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.927 -1.049 -8.411 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.420 -1.270 -10.453 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.409 0.391 -9.813 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.051 -0.706 -9.466 1.00 7.68 H new ATOM 449 N LYS A 29 -1.390 -2.989 -7.574 1.00 8.96 N ATOM 450 CA LYS A 29 -1.077 -4.375 -7.289 1.00 7.90 C ATOM 451 C LYS A 29 -2.070 -4.958 -6.321 1.00 6.92 C ATOM 452 O LYS A 29 -2.506 -6.114 -6.448 1.00 6.87 O ATOM 453 CB LYS A 29 0.356 -4.467 -6.706 1.00 10.28 C ATOM 454 CG LYS A 29 1.386 -4.170 -7.783 1.00 14.94 C ATOM 455 CD LYS A 29 2.711 -3.665 -7.151 1.00 19.69 C ATOM 456 CE LYS A 29 3.919 -3.454 -8.135 1.00 22.63 C ATOM 457 NZ LYS A 29 4.436 -4.661 -8.723 1.00 24.98 N ATOM 0 H LYS A 29 -0.667 -2.334 -7.276 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.132 -4.948 -8.215 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.467 -3.761 -5.883 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.526 -5.463 -6.296 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.576 -5.069 -8.369 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.995 -3.419 -8.470 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.511 -2.719 -6.648 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.016 -4.376 -6.383 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.605 -2.783 -8.934 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.725 -2.955 -7.597 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.134 -4.419 -9.455 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.891 -5.238 -7.987 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.657 -5.199 -9.152 1.00 24.98 H new ATOM 471 N ILE A 30 -2.459 -4.160 -5.327 1.00 4.57 N ATOM 472 CA ILE A 30 -3.538 -4.468 -4.427 1.00 5.58 C ATOM 473 C ILE A 30 -4.895 -4.637 -5.151 1.00 7.26 C ATOM 474 O ILE A 30 -5.527 -5.656 -4.906 1.00 9.46 O ATOM 475 CB ILE A 30 -3.650 -3.430 -3.360 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.407 -3.537 -2.463 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.930 -3.652 -2.529 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.565 -2.588 -1.296 1.00 2.00 C ATOM 0 H ILE A 30 -2.014 -3.263 -5.132 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.296 -5.429 -3.972 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.709 -2.437 -3.806 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.287 -4.559 -2.105 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.510 -3.291 -3.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.998 -2.888 -1.755 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.802 -3.588 -3.180 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.896 -4.637 -2.064 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.688 -2.655 -0.652 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.666 -1.568 -1.667 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.455 -2.856 -0.727 1.00 2.00 H new ATOM 490 N GLN A 31 -5.287 -3.819 -6.146 1.00 7.06 N ATOM 491 CA GLN A 31 -6.410 -4.047 -6.979 1.00 8.67 C ATOM 492 C GLN A 31 -6.417 -5.260 -7.871 1.00 10.90 C ATOM 493 O GLN A 31 -7.421 -5.949 -7.876 1.00 9.63 O ATOM 494 CB GLN A 31 -6.562 -2.844 -7.920 1.00 9.12 C ATOM 495 CG GLN A 31 -7.921 -2.721 -8.664 1.00 10.76 C ATOM 496 CD GLN A 31 -7.944 -1.486 -9.572 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.881 -0.673 -9.553 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.940 -1.323 -10.467 1.00 14.76 N ATOM 0 H GLN A 31 -4.790 -2.958 -6.374 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.213 -4.209 -6.260 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.405 -1.934 -7.341 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.767 -2.889 -8.664 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.095 -3.617 -9.259 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.732 -2.658 -7.938 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.165 -1.986 -10.491 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.959 -0.537 -11.117 1.00 14.76 H new ATOM 507 N ASP A 32 -5.267 -5.552 -8.476 1.00 10.93 N ATOM 508 CA ASP A 32 -4.999 -6.799 -9.225 1.00 14.01 C ATOM 509 C ASP A 32 -5.186 -8.026 -8.438 1.00 14.04 C ATOM 510 O ASP A 32 -5.816 -9.006 -8.883 1.00 13.39 O ATOM 511 CB ASP A 32 -3.435 -6.773 -9.591 1.00 18.01 C ATOM 512 CG ASP A 32 -3.197 -7.562 -10.890 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.093 -8.160 -11.511 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.995 -7.554 -11.273 1.00 25.17 O ATOM 0 H ASP A 32 -4.469 -4.917 -8.464 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.688 -6.824 -10.069 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.096 -5.744 -9.711 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.853 -7.207 -8.778 1.00 18.01 H new ATOM 519 N LYS A 33 -4.650 -8.048 -7.200 1.00 14.22 N ATOM 520 CA LYS A 33 -4.900 -9.152 -6.305 1.00 14.00 C ATOM 521 C LYS A 33 -6.313 -9.278 -5.797 1.00 12.37 C ATOM 522 O LYS A 33 -6.936 -10.327 -5.978 1.00 12.17 O ATOM 523 CB LYS A 33 -4.032 -8.946 -5.012 1.00 18.62 C ATOM 524 CG LYS A 33 -2.524 -9.116 -5.159 1.00 24.00 C ATOM 525 CD LYS A 33 -2.056 -10.521 -5.592 1.00 27.61 C ATOM 526 CE LYS A 33 -0.518 -10.624 -5.780 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.254 -11.990 -6.212 1.00 30.06 N ATOM 0 H LYS A 33 -4.052 -7.315 -6.819 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.669 -10.039 -6.895 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.225 -7.943 -4.630 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.380 -9.648 -4.254 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.163 -8.391 -5.888 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.053 -8.872 -4.207 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.373 -11.249 -4.845 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.548 -10.788 -6.527 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.167 -9.906 -6.521 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.004 -10.402 -4.849 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.768 -12.118 -6.354 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.588 -12.655 -5.485 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.754 -12.174 -7.105 1.00 30.06 H new ATOM 541 N GLU A 34 -6.858 -8.258 -5.123 1.00 10.11 N ATOM 542 CA GLU A 34 -7.987 -8.383 -4.205 1.00 10.07 C ATOM 543 C GLU A 34 -9.318 -7.785 -4.740 1.00 9.32 C ATOM 544 O GLU A 34 -10.365 -8.025 -4.179 1.00 11.61 O ATOM 545 CB GLU A 34 -7.667 -7.535 -2.908 1.00 14.77 C ATOM 546 CG GLU A 34 -6.553 -8.133 -2.068 1.00 18.75 C ATOM 547 CD GLU A 34 -6.834 -9.430 -1.305 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.346 -9.334 -0.178 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.557 -10.537 -1.829 1.00 21.95 O ATOM 0 H GLU A 34 -6.515 -7.301 -5.206 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.113 -9.453 -4.042 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.390 -6.523 -3.202 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.569 -7.455 -2.301 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.701 -8.312 -2.724 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.244 -7.381 -1.342 1.00 18.75 H new ATOM 556 N GLY A 35 -9.210 -6.999 -5.794 1.00 7.22 N ATOM 557 CA GLY A 35 -10.386 -6.417 -6.401 1.00 6.29 C ATOM 558 C GLY A 35 -10.823 -5.034 -5.861 1.00 6.93 C ATOM 559 O GLY A 35 -11.840 -4.473 -6.335 1.00 7.41 O ATOM 0 H GLY A 35 -8.328 -6.752 -6.242 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.208 -6.325 -7.472 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.216 -7.112 -6.274 1.00 6.29 H new ATOM 563 N ILE A 36 -10.036 -4.413 -4.968 1.00 5.86 N ATOM 564 CA ILE A 36 -10.397 -3.181 -4.321 1.00 6.07 C ATOM 565 C ILE A 36 -9.904 -2.025 -5.147 1.00 6.36 C ATOM 566 O ILE A 36 -8.759 -2.076 -5.575 1.00 6.18 O ATOM 567 CB ILE A 36 -9.726 -3.211 -2.902 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.179 -4.409 -2.020 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.282 -1.950 -2.163 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.505 -4.522 -0.657 1.00 9.49 C ATOM 0 H ILE A 36 -9.124 -4.772 -4.685 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.476 -3.066 -4.219 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.646 -3.266 -3.039 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.256 -4.336 -1.867 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.997 -5.331 -2.572 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.858 -1.900 -1.160 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.008 -1.053 -2.718 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.368 -2.017 -2.095 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.896 -5.391 -0.129 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.429 -4.633 -0.791 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.707 -3.623 -0.075 1.00 9.49 H new ATOM 582 N PRO A 37 -10.729 -1.041 -5.446 1.00 8.65 N ATOM 583 CA PRO A 37 -10.275 0.182 -6.209 1.00 9.18 C ATOM 584 C PRO A 37 -9.284 1.020 -5.475 1.00 9.85 C ATOM 585 O PRO A 37 -9.346 1.122 -4.233 1.00 8.51 O ATOM 586 CB PRO A 37 -11.517 1.073 -6.393 1.00 11.42 C ATOM 587 CG PRO A 37 -12.549 -0.095 -6.619 1.00 9.27 C ATOM 588 CD PRO A 37 -12.191 -1.166 -5.534 1.00 8.33 C ATOM 0 HA PRO A 37 -9.810 -0.166 -7.131 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.742 1.684 -5.519 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.439 1.750 -7.244 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.574 0.256 -6.504 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.464 -0.508 -7.624 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.676 -0.957 -4.580 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.497 -2.168 -5.834 1.00 8.33 H new ATOM 596 N PRO A 38 -8.281 1.560 -6.147 1.00 8.71 N ATOM 597 CA PRO A 38 -7.254 2.423 -5.535 1.00 9.08 C ATOM 598 C PRO A 38 -7.822 3.540 -4.728 1.00 9.28 C ATOM 599 O PRO A 38 -7.208 3.864 -3.729 1.00 6.50 O ATOM 600 CB PRO A 38 -6.403 2.896 -6.774 1.00 10.31 C ATOM 601 CG PRO A 38 -6.328 1.621 -7.590 1.00 10.81 C ATOM 602 CD PRO A 38 -7.757 1.067 -7.458 1.00 12.00 C ATOM 0 HA PRO A 38 -6.650 1.901 -4.793 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.888 3.705 -7.320 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.416 3.255 -6.482 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.062 1.817 -8.629 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.585 0.928 -7.196 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.384 1.410 -8.281 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.756 -0.023 -7.491 1.00 12.00 H new ATOM 610 N ASP A 39 -8.948 4.163 -5.083 1.00 11.20 N ATOM 611 CA ASP A 39 -9.499 5.224 -4.283 1.00 14.96 C ATOM 612 C ASP A 39 -10.440 4.685 -3.180 1.00 13.99 C ATOM 613 O ASP A 39 -11.083 5.448 -2.464 1.00 13.75 O ATOM 614 CB ASP A 39 -10.199 6.181 -5.202 1.00 24.16 C ATOM 615 CG ASP A 39 -9.245 6.868 -6.116 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.148 7.401 -5.745 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.667 6.905 -7.290 1.00 35.55 O ATOM 0 H ASP A 39 -9.485 3.941 -5.921 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.698 5.743 -3.756 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.942 5.642 -5.790 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.736 6.924 -4.612 1.00 24.16 H new ATOM 622 N GLN A 40 -10.500 3.378 -2.975 1.00 11.60 N ATOM 623 CA GLN A 40 -11.061 2.773 -1.829 1.00 10.76 C ATOM 624 C GLN A 40 -9.949 2.163 -0.973 1.00 8.01 C ATOM 625 O GLN A 40 -10.231 1.455 0.032 1.00 8.96 O ATOM 626 CB GLN A 40 -12.154 1.672 -2.080 1.00 11.14 C ATOM 627 CG GLN A 40 -13.497 2.278 -2.472 1.00 14.85 C ATOM 628 CD GLN A 40 -14.504 1.181 -2.734 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.206 0.782 -1.775 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.531 0.575 -3.929 1.00 18.16 N ATOM 0 H GLN A 40 -10.137 2.701 -3.646 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.582 3.589 -1.328 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.816 0.999 -2.868 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.277 1.071 -1.179 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.857 2.930 -1.676 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.380 2.896 -3.362 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.948 0.923 -4.690 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.134 -0.234 -4.077 1.00 18.16 H new ATOM 639 N GLN A 41 -8.694 2.558 -1.213 1.00 6.52 N ATOM 640 CA GLN A 41 -7.528 2.183 -0.348 1.00 3.87 C ATOM 641 C GLN A 41 -6.806 3.315 0.293 1.00 4.79 C ATOM 642 O GLN A 41 -6.577 4.326 -0.336 1.00 6.34 O ATOM 643 CB GLN A 41 -6.406 1.543 -1.184 1.00 4.20 C ATOM 644 CG GLN A 41 -6.953 0.289 -1.965 1.00 3.20 C ATOM 645 CD GLN A 41 -5.879 -0.232 -2.870 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.708 -0.141 -2.606 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.303 -0.900 -4.005 1.00 7.13 N ATOM 0 H GLN A 41 -8.439 3.146 -2.007 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.999 1.541 0.396 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.007 2.273 -1.888 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.584 1.245 -0.534 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.262 -0.486 -1.263 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.834 0.563 -2.546 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.299 -0.968 -4.214 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.620 -1.324 -4.632 1.00 7.13 H new ATOM 656 N ARG A 42 -6.386 3.194 1.566 1.00 5.73 N ATOM 657 CA ARG A 42 -5.513 4.059 2.290 1.00 6.97 C ATOM 658 C ARG A 42 -4.353 3.233 2.815 1.00 7.15 C ATOM 659 O ARG A 42 -4.532 2.194 3.435 1.00 7.33 O ATOM 660 CB ARG A 42 -6.265 4.813 3.425 1.00 13.23 C ATOM 661 CG ARG A 42 -5.328 5.790 4.127 1.00 21.27 C ATOM 662 CD ARG A 42 -6.088 6.731 5.115 1.00 26.14 C ATOM 663 NE ARG A 42 -6.764 7.647 4.152 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.916 8.267 4.347 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.816 7.880 5.256 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.375 9.132 3.419 1.00 36.39 N ATOM 0 H ARG A 42 -6.692 2.409 2.141 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.127 4.835 1.629 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.117 5.351 3.010 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.660 4.097 4.146 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.567 5.232 4.672 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.809 6.392 3.381 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.798 6.189 5.740 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.412 7.261 5.786 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.295 7.810 3.261 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.630 7.067 5.844 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.689 8.397 5.362 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.834 9.305 2.572 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.263 9.613 3.565 1.00 36.39 H new ATOM 680 N LEU A 43 -3.121 3.637 2.412 1.00 4.65 N ATOM 681 CA LEU A 43 -1.934 2.909 2.720 1.00 3.51 C ATOM 682 C LEU A 43 -1.126 3.576 3.860 1.00 5.56 C ATOM 683 O LEU A 43 -1.029 4.784 3.903 1.00 4.19 O ATOM 684 CB LEU A 43 -1.078 2.723 1.423 1.00 3.74 C ATOM 685 CG LEU A 43 -1.745 1.911 0.291 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.005 2.103 -1.075 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.836 0.383 0.692 1.00 6.41 C ATOM 0 H LEU A 43 -2.958 4.482 1.865 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.217 1.923 3.090 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.821 3.709 1.035 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.143 2.233 1.694 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.758 2.290 0.155 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.505 1.516 -1.845 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.023 3.157 -1.353 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.029 1.771 -0.979 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.308 -0.177 -0.115 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.834 -0.008 0.867 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.429 0.280 1.601 1.00 6.41 H new ATOM 699 N ILE A 44 -0.718 2.721 4.773 1.00 4.58 N ATOM 700 CA ILE A 44 -0.251 3.144 6.039 1.00 5.55 C ATOM 701 C ILE A 44 1.078 2.442 6.196 1.00 5.46 C ATOM 702 O ILE A 44 1.187 1.260 5.811 1.00 6.04 O ATOM 703 CB ILE A 44 -1.165 2.942 7.246 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.528 3.661 6.977 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.578 3.473 8.596 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.556 5.228 6.935 1.00 13.90 C ATOM 0 H ILE A 44 -0.708 1.710 4.639 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.191 4.232 6.040 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.283 1.865 7.361 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.911 3.298 6.023 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.230 3.338 7.746 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.291 3.290 9.400 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.356 2.956 8.815 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.390 4.544 8.515 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.573 5.569 6.739 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.219 5.624 7.893 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.896 5.583 6.144 1.00 13.90 H new ATOM 718 N PHE A 45 2.134 3.144 6.670 1.00 6.75 N ATOM 719 CA PHE A 45 3.429 2.518 7.009 1.00 4.70 C ATOM 720 C PHE A 45 4.039 3.482 7.991 1.00 6.34 C ATOM 721 O PHE A 45 3.752 4.678 7.992 1.00 5.45 O ATOM 722 CB PHE A 45 4.320 2.214 5.783 1.00 5.51 C ATOM 723 CG PHE A 45 5.712 1.598 6.152 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.898 0.198 6.263 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.738 2.462 6.386 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.155 -0.258 6.637 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.943 1.984 6.781 1.00 6.64 C ATOM 728 CZ PHE A 45 8.222 0.577 6.841 1.00 6.84 C ATOM 0 H PHE A 45 2.111 4.152 6.826 1.00 6.75 H new ATOM 0 HA PHE A 45 3.308 1.522 7.434 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.792 1.526 5.123 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.478 3.135 5.222 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.090 -0.491 6.064 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.592 3.524 6.257 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.298 -1.320 6.773 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.718 2.683 7.059 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.215 0.199 7.036 1.00 6.84 H new ATOM 738 N ALA A 46 4.921 2.897 8.900 1.00 6.53 N ATOM 739 CA ALA A 46 5.365 3.596 10.094 1.00 7.15 C ATOM 740 C ALA A 46 4.345 4.193 11.062 1.00 9.00 C ATOM 741 O ALA A 46 4.573 5.059 11.867 1.00 11.15 O ATOM 742 CB ALA A 46 6.440 4.614 9.648 1.00 8.99 C ATOM 0 H ALA A 46 5.308 1.959 8.794 1.00 6.53 H new ATOM 0 HA ALA A 46 5.748 2.814 10.750 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.803 5.164 10.516 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.270 4.085 9.180 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.005 5.312 8.932 1.00 8.99 H new ATOM 748 N GLY A 47 3.051 3.674 11.046 1.00 9.35 N ATOM 749 CA GLY A 47 1.983 4.287 11.846 1.00 11.68 C ATOM 750 C GLY A 47 1.440 5.554 11.233 1.00 11.14 C ATOM 751 O GLY A 47 0.836 6.370 11.857 1.00 13.93 O ATOM 0 H GLY A 47 2.763 2.863 10.499 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.170 3.571 11.966 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.364 4.507 12.843 1.00 11.68 H new ATOM 755 N LYS A 48 1.650 5.784 9.895 1.00 10.47 N ATOM 756 CA LYS A 48 1.263 7.019 9.292 1.00 8.82 C ATOM 757 C LYS A 48 0.869 6.952 7.810 1.00 7.68 C ATOM 758 O LYS A 48 0.973 5.948 7.127 1.00 6.47 O ATOM 759 CB LYS A 48 2.343 8.146 9.490 1.00 9.74 C ATOM 760 CG LYS A 48 3.569 7.965 8.646 1.00 14.14 C ATOM 761 CD LYS A 48 4.296 9.311 8.598 1.00 16.32 C ATOM 762 CE LYS A 48 5.354 9.408 7.503 1.00 20.04 C ATOM 763 NZ LYS A 48 6.091 10.728 7.419 1.00 23.92 N ATOM 0 H LYS A 48 2.082 5.115 9.258 1.00 10.47 H new ATOM 0 HA LYS A 48 0.352 7.269 9.835 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.893 9.112 9.259 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.637 8.174 10.539 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.215 7.195 9.068 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.299 7.639 7.642 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.562 10.103 8.451 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.770 9.491 9.563 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.085 8.614 7.657 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.875 9.218 6.542 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.785 10.689 6.645 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.412 11.494 7.237 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.583 10.908 8.317 1.00 23.92 H new ATOM 777 N GLN A 49 0.357 8.059 7.231 1.00 8.89 N ATOM 778 CA GLN A 49 -0.171 8.203 5.882 1.00 7.18 C ATOM 779 C GLN A 49 0.922 8.067 4.878 1.00 8.23 C ATOM 780 O GLN A 49 2.073 8.397 5.133 1.00 9.70 O ATOM 781 CB GLN A 49 -0.718 9.671 5.836 1.00 11.67 C ATOM 782 CG GLN A 49 -1.990 9.861 6.701 1.00 15.82 C ATOM 783 CD GLN A 49 -2.671 11.207 6.650 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.197 11.978 5.818 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.663 11.501 7.523 1.00 20.67 N ATOM 0 H GLN A 49 0.304 8.938 7.746 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.925 7.449 5.656 1.00 7.18 H new ATOM 0 HB2 GLN A 49 0.057 10.355 6.182 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.942 9.939 4.803 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.716 9.105 6.403 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.725 9.657 7.738 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.992 10.792 8.179 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.082 12.431 7.525 1.00 20.67 H new ATOM 794 N LEU A 50 0.591 7.576 3.699 1.00 6.51 N ATOM 795 CA LEU A 50 1.561 7.484 2.629 1.00 7.41 C ATOM 796 C LEU A 50 1.120 8.328 1.362 1.00 8.27 C ATOM 797 O LEU A 50 0.014 8.178 0.904 1.00 8.34 O ATOM 798 CB LEU A 50 1.857 6.015 2.157 1.00 7.13 C ATOM 799 CG LEU A 50 2.427 5.109 3.308 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.589 3.684 2.785 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.815 5.553 3.816 1.00 9.11 C ATOM 0 H LEU A 50 -0.340 7.236 3.460 1.00 6.51 H new ATOM 0 HA LEU A 50 2.475 7.891 3.062 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.940 5.570 1.771 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.570 6.040 1.333 1.00 7.13 H new ATOM 0 HG LEU A 50 1.717 5.186 4.132 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.984 3.048 3.577 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.620 3.302 2.463 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.279 3.682 1.941 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.144 4.882 4.609 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.530 5.522 2.994 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.752 6.570 4.204 1.00 9.11 H new ATOM 813 N GLU A 51 2.029 9.127 0.811 1.00 9.43 N ATOM 814 CA GLU A 51 1.765 10.018 -0.313 1.00 11.90 C ATOM 815 C GLU A 51 1.805 9.296 -1.648 1.00 11.49 C ATOM 816 O GLU A 51 2.739 8.546 -1.932 1.00 9.88 O ATOM 817 CB GLU A 51 2.764 11.201 -0.303 1.00 16.56 C ATOM 818 CG GLU A 51 2.644 12.254 -1.461 1.00 26.06 C ATOM 819 CD GLU A 51 3.386 13.540 -1.071 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.051 14.276 -0.134 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.370 13.802 -1.761 1.00 32.13 O ATOM 0 H GLU A 51 2.993 9.174 1.142 1.00 9.43 H new ATOM 0 HA GLU A 51 0.752 10.401 -0.192 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.654 11.728 0.645 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.773 10.790 -0.324 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.063 11.846 -2.381 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.595 12.474 -1.658 1.00 26.06 H new ATOM 828 N ASP A 52 0.751 9.498 -2.487 1.00 12.71 N ATOM 829 CA ASP A 52 0.475 8.795 -3.745 1.00 16.56 C ATOM 830 C ASP A 52 1.679 8.838 -4.700 1.00 15.83 C ATOM 831 O ASP A 52 2.051 7.824 -5.366 1.00 17.21 O ATOM 832 CB ASP A 52 -0.745 9.399 -4.382 1.00 21.05 C ATOM 833 CG ASP A 52 -1.856 9.800 -3.347 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.224 8.900 -2.523 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.255 10.970 -3.307 1.00 28.37 O ATOM 0 H ASP A 52 0.039 10.198 -2.280 1.00 12.71 H new ATOM 0 HA ASP A 52 0.290 7.743 -3.528 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.450 10.283 -4.948 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.163 8.688 -5.095 1.00 21.05 H new ATOM 840 N GLY A 53 2.238 10.053 -4.906 1.00 15.00 N ATOM 841 CA GLY A 53 3.402 10.274 -5.795 1.00 11.77 C ATOM 842 C GLY A 53 4.803 10.072 -5.248 1.00 11.10 C ATOM 843 O GLY A 53 5.799 10.290 -5.951 1.00 11.25 O ATOM 0 H GLY A 53 1.896 10.905 -4.462 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.288 9.614 -6.655 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.340 11.296 -6.168 1.00 11.77 H new ATOM 847 N ARG A 54 4.944 9.490 -4.020 1.00 8.53 N ATOM 848 CA ARG A 54 6.214 9.113 -3.479 1.00 9.05 C ATOM 849 C ARG A 54 6.554 7.681 -3.702 1.00 8.96 C ATOM 850 O ARG A 54 5.736 6.923 -4.253 1.00 11.60 O ATOM 851 CB ARG A 54 6.361 9.512 -1.981 1.00 7.97 C ATOM 852 CG ARG A 54 6.184 11.019 -1.658 1.00 9.62 C ATOM 853 CD ARG A 54 7.350 11.847 -2.184 1.00 12.20 C ATOM 854 NE ARG A 54 7.003 13.300 -1.952 1.00 18.23 N ATOM 855 CZ ARG A 54 7.907 14.247 -1.513 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.242 14.018 -1.633 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.540 15.342 -0.875 1.00 23.38 N ATOM 0 H ARG A 54 4.157 9.284 -3.405 1.00 8.53 H new ATOM 0 HA ARG A 54 6.948 9.688 -4.043 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.629 8.948 -1.402 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.348 9.201 -1.638 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.254 11.379 -2.098 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.099 11.153 -0.580 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.273 11.584 -1.667 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.512 11.654 -3.244 1.00 12.20 H new ATOM 0 HE ARG A 54 6.044 13.599 -2.130 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.575 13.147 -2.047 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.910 14.717 -1.309 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.553 15.516 -0.688 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.244 16.014 -0.569 1.00 23.38 H new ATOM 871 N THR A 55 7.745 7.256 -3.318 1.00 9.05 N ATOM 872 CA THR A 55 8.241 5.917 -3.605 1.00 9.03 C ATOM 873 C THR A 55 8.449 5.166 -2.316 1.00 8.15 C ATOM 874 O THR A 55 8.693 5.755 -1.241 1.00 5.91 O ATOM 875 CB THR A 55 9.485 5.797 -4.410 1.00 11.15 C ATOM 876 OG1 THR A 55 10.576 6.434 -3.753 1.00 11.95 O ATOM 877 CG2 THR A 55 9.386 6.431 -5.840 1.00 11.71 C ATOM 0 H THR A 55 8.402 7.834 -2.794 1.00 9.05 H new ATOM 0 HA THR A 55 7.458 5.497 -4.236 1.00 9.03 H new ATOM 0 HB THR A 55 9.639 4.723 -4.514 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.423 7.402 -3.729 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.334 6.301 -6.362 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.592 5.939 -6.402 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.163 7.494 -5.752 1.00 11.71 H new ATOM 885 N LEU A 56 8.536 3.782 -2.372 1.00 6.91 N ATOM 886 CA LEU A 56 8.840 2.876 -1.270 1.00 8.29 C ATOM 887 C LEU A 56 10.247 3.185 -0.660 1.00 8.05 C ATOM 888 O LEU A 56 10.352 3.310 0.554 1.00 10.17 O ATOM 889 CB LEU A 56 8.664 1.385 -1.716 1.00 6.60 C ATOM 890 CG LEU A 56 7.295 1.030 -2.329 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.242 -0.429 -2.769 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.037 1.184 -1.378 1.00 8.64 C ATOM 0 H LEU A 56 8.383 3.279 -3.246 1.00 6.91 H new ATOM 0 HA LEU A 56 8.124 3.041 -0.465 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.440 1.148 -2.444 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.832 0.744 -0.851 1.00 6.60 H new ATOM 0 HG LEU A 56 7.227 1.752 -3.143 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.263 -0.645 -3.196 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.013 -0.611 -3.518 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.412 -1.075 -1.908 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.134 0.906 -1.921 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.154 0.533 -0.511 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.956 2.219 -1.046 1.00 8.64 H new ATOM 904 N SER A 57 11.267 3.497 -1.470 1.00 8.92 N ATOM 905 CA SER A 57 12.527 4.032 -0.983 1.00 9.00 C ATOM 906 C SER A 57 12.522 5.419 -0.456 1.00 9.44 C ATOM 907 O SER A 57 13.459 5.754 0.275 1.00 10.91 O ATOM 908 CB SER A 57 13.633 3.922 -2.058 1.00 10.32 C ATOM 909 OG SER A 57 13.381 4.828 -3.152 1.00 13.59 O ATOM 0 H SER A 57 11.233 3.382 -2.483 1.00 8.92 H new ATOM 0 HA SER A 57 12.726 3.398 -0.119 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.602 4.145 -1.612 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.682 2.899 -2.432 1.00 10.32 H new ATOM 0 HG SER A 57 14.094 4.742 -3.819 1.00 13.59 H new ATOM 915 N ASP A 58 11.530 6.323 -0.721 1.00 9.11 N ATOM 916 CA ASP A 58 11.428 7.632 -0.004 1.00 7.91 C ATOM 917 C ASP A 58 11.029 7.360 1.430 1.00 9.12 C ATOM 918 O ASP A 58 11.230 8.227 2.310 1.00 8.61 O ATOM 919 CB ASP A 58 10.248 8.526 -0.509 1.00 8.41 C ATOM 920 CG ASP A 58 10.640 9.100 -1.859 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.589 9.883 -1.891 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.853 8.825 -2.810 1.00 11.70 O ATOM 0 H ASP A 58 10.799 6.171 -1.416 1.00 9.11 H new ATOM 0 HA ASP A 58 12.391 8.122 -0.152 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.334 7.938 -0.595 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.045 9.327 0.202 1.00 8.41 H new ATOM 927 N TYR A 59 10.457 6.210 1.797 1.00 7.97 N ATOM 928 CA TYR A 59 10.100 5.948 3.124 1.00 8.45 C ATOM 929 C TYR A 59 11.075 4.936 3.759 1.00 10.98 C ATOM 930 O TYR A 59 10.960 4.490 4.916 1.00 12.95 O ATOM 931 CB TYR A 59 8.685 5.227 3.197 1.00 7.94 C ATOM 932 CG TYR A 59 7.643 6.189 2.676 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.476 7.318 3.475 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.966 6.090 1.445 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.534 8.339 3.073 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.012 7.058 1.055 1.00 6.52 C ATOM 937 CZ TYR A 59 5.839 8.207 1.872 1.00 6.76 C ATOM 938 OH TYR A 59 4.906 9.168 1.578 1.00 7.63 O ATOM 0 H TYR A 59 10.242 5.452 1.149 1.00 7.97 H new ATOM 0 HA TYR A 59 10.103 6.910 3.636 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.692 4.314 2.602 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.457 4.938 4.223 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.045 7.430 4.386 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.179 5.260 0.787 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.369 9.202 3.702 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.428 6.927 0.156 1.00 6.52 H new ATOM 0 HH TYR A 59 5.289 9.813 0.947 1.00 7.63 H new ATOM 948 N ASN A 60 12.135 4.588 3.041 1.00 12.38 N ATOM 949 CA ASN A 60 13.136 3.650 3.418 1.00 13.94 C ATOM 950 C ASN A 60 12.684 2.219 3.743 1.00 14.16 C ATOM 951 O ASN A 60 13.225 1.457 4.542 1.00 14.26 O ATOM 952 CB ASN A 60 13.994 4.172 4.586 1.00 19.23 C ATOM 953 CG ASN A 60 14.545 5.573 4.190 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.173 5.694 3.118 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.300 6.540 5.120 1.00 24.09 N ATOM 0 H ASN A 60 12.312 4.992 2.121 1.00 12.38 H new ATOM 0 HA ASN A 60 13.712 3.563 2.497 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.398 4.240 5.496 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.814 3.485 4.793 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.646 7.488 4.973 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.770 6.315 5.962 1.00 24.09 H new ATOM 962 N ILE A 61 11.630 1.818 2.982 1.00 11.08 N ATOM 963 CA ILE A 61 11.007 0.496 2.840 1.00 11.78 C ATOM 964 C ILE A 61 11.986 -0.565 2.337 1.00 13.74 C ATOM 965 O ILE A 61 12.841 -0.303 1.502 1.00 14.60 O ATOM 966 CB ILE A 61 9.667 0.489 2.043 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.585 1.368 2.832 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.144 -0.908 1.597 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.252 1.535 2.034 1.00 11.42 C ATOM 0 H ILE A 61 11.151 2.498 2.392 1.00 11.08 H new ATOM 0 HA ILE A 61 10.726 0.220 3.856 1.00 11.78 H new ATOM 0 HB ILE A 61 9.871 0.952 1.078 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.373 0.900 3.793 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.004 2.352 3.042 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.208 -0.789 1.052 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.882 -1.383 0.951 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.976 -1.531 2.475 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.554 2.139 2.614 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.456 2.029 1.084 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.815 0.554 1.847 1.00 11.42 H new ATOM 981 N GLN A 62 11.906 -1.790 2.847 1.00 13.97 N ATOM 982 CA GLN A 62 12.786 -2.914 2.549 1.00 15.52 C ATOM 983 C GLN A 62 11.916 -4.138 2.214 1.00 13.94 C ATOM 984 O GLN A 62 10.665 -4.069 2.402 1.00 12.15 O ATOM 985 CB GLN A 62 13.549 -3.258 3.828 1.00 19.53 C ATOM 986 CG GLN A 62 14.508 -2.172 4.366 1.00 26.38 C ATOM 987 CD GLN A 62 15.480 -1.597 3.358 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.286 -2.302 2.804 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.407 -0.236 3.184 1.00 32.71 N ATOM 0 H GLN A 62 11.181 -2.039 3.520 1.00 13.97 H new ATOM 0 HA GLN A 62 13.455 -2.664 1.726 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.823 -3.490 4.607 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.126 -4.165 3.649 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.911 -1.356 4.774 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.078 -2.594 5.193 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.701 0.305 3.683 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.059 0.234 2.556 1.00 32.71 H new ATOM 998 N LYS A 63 12.558 -5.290 1.824 1.00 11.73 N ATOM 999 CA LYS A 63 11.987 -6.636 1.889 1.00 11.97 C ATOM 1000 C LYS A 63 11.301 -7.038 3.205 1.00 10.41 C ATOM 1001 O LYS A 63 11.943 -6.816 4.243 1.00 9.59 O ATOM 1002 CB LYS A 63 13.070 -7.693 1.537 1.00 13.73 C ATOM 1003 CG LYS A 63 14.062 -7.968 2.639 1.00 16.98 C ATOM 1004 CD LYS A 63 15.276 -8.801 2.212 1.00 20.19 C ATOM 1005 CE LYS A 63 14.957 -10.060 1.375 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.215 -10.753 0.939 1.00 25.97 N ATOM 0 H LYS A 63 13.507 -5.282 1.451 1.00 11.73 H new ATOM 0 HA LYS A 63 11.182 -6.608 1.155 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.574 -8.627 1.271 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.613 -7.357 0.653 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.413 -7.017 3.039 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.550 -8.486 3.450 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.948 -8.164 1.637 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.817 -9.108 3.107 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.346 -10.745 1.962 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.371 -9.780 0.500 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.971 -11.595 0.379 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.785 -10.105 0.359 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.761 -11.040 1.776 1.00 25.97 H new ATOM 1020 N GLU A 64 10.095 -7.646 3.043 1.00 10.04 N ATOM 1021 CA GLU A 64 9.287 -8.162 4.164 1.00 10.94 C ATOM 1022 C GLU A 64 8.487 -7.117 4.980 1.00 9.74 C ATOM 1023 O GLU A 64 7.745 -7.318 5.890 1.00 9.42 O ATOM 1024 CB GLU A 64 10.015 -9.169 5.169 1.00 18.31 C ATOM 1025 CG GLU A 64 10.817 -10.297 4.537 1.00 24.16 C ATOM 1026 CD GLU A 64 11.651 -11.002 5.559 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.499 -10.771 6.789 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.537 -11.808 5.158 1.00 32.61 O ATOM 0 H GLU A 64 9.663 -7.788 2.130 1.00 10.04 H new ATOM 0 HA GLU A 64 8.571 -8.742 3.582 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.684 -8.591 5.807 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.258 -9.610 5.818 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.140 -11.007 4.063 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.459 -9.896 3.753 1.00 24.16 H new ATOM 1035 N SER A 65 8.672 -5.811 4.558 1.00 6.85 N ATOM 1036 CA SER A 65 8.231 -4.645 5.292 1.00 6.90 C ATOM 1037 C SER A 65 6.721 -4.627 5.435 1.00 4.72 C ATOM 1038 O SER A 65 5.978 -4.891 4.520 1.00 3.91 O ATOM 1039 CB SER A 65 8.600 -3.311 4.728 1.00 7.28 C ATOM 1040 OG SER A 65 9.966 -3.044 4.911 1.00 10.56 O ATOM 0 H SER A 65 9.142 -5.579 3.683 1.00 6.85 H new ATOM 0 HA SER A 65 8.761 -4.763 6.237 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.360 -3.284 3.665 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.007 -2.533 5.209 1.00 7.28 H new ATOM 0 HG SER A 65 10.084 -2.106 5.169 1.00 10.56 H new ATOM 1046 N THR A 66 6.295 -4.260 6.663 1.00 4.48 N ATOM 1047 CA THR A 66 4.921 -4.510 7.089 1.00 3.80 C ATOM 1048 C THR A 66 3.986 -3.351 6.721 1.00 4.60 C ATOM 1049 O THR A 66 3.579 -2.612 7.625 1.00 5.33 O ATOM 1050 CB THR A 66 4.734 -4.885 8.587 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.664 -5.862 9.021 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.387 -5.420 8.898 1.00 3.40 C ATOM 0 H THR A 66 6.880 -3.798 7.359 1.00 4.48 H new ATOM 0 HA THR A 66 4.646 -5.403 6.527 1.00 3.80 H new ATOM 0 HB THR A 66 4.888 -3.940 9.109 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.509 -6.064 9.967 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.327 -5.660 9.959 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.633 -4.672 8.652 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.209 -6.321 8.311 1.00 3.40 H new ATOM 1060 N LEU A 67 3.760 -3.157 5.419 1.00 4.17 N ATOM 1061 CA LEU A 67 2.686 -2.261 4.863 1.00 3.85 C ATOM 1062 C LEU A 67 1.349 -2.642 5.448 1.00 3.80 C ATOM 1063 O LEU A 67 1.010 -3.803 5.792 1.00 5.54 O ATOM 1064 CB LEU A 67 2.590 -2.250 3.337 1.00 7.18 C ATOM 1065 CG LEU A 67 3.679 -1.297 2.732 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.078 -2.015 2.616 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.349 -0.876 1.297 1.00 11.66 C ATOM 0 H LEU A 67 4.313 -3.614 4.694 1.00 4.17 H new ATOM 0 HA LEU A 67 2.970 -1.249 5.153 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.725 -3.260 2.950 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.597 -1.921 3.030 1.00 7.18 H new ATOM 0 HG LEU A 67 3.703 -0.443 3.409 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.807 -1.324 2.193 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.408 -2.330 3.606 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.987 -2.887 1.969 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.132 -0.217 0.922 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.285 -1.761 0.664 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.394 -0.350 1.283 1.00 11.66 H new ATOM 1079 N HIS A 68 0.483 -1.612 5.654 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.870 -1.776 6.130 1.00 4.17 C ATOM 1081 C HIS A 68 -1.889 -1.124 5.163 1.00 5.32 C ATOM 1082 O HIS A 68 -1.556 -0.029 4.687 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.986 -1.004 7.467 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.473 -1.676 8.755 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.741 -2.246 8.921 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.146 -1.889 9.939 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.801 -2.742 10.200 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.305 -2.557 10.887 1.00 16.30 N ATOM 0 H HIS A 68 0.735 -0.638 5.484 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.081 -2.841 6.223 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.453 -0.060 7.351 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.038 -0.760 7.618 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.481 -2.298 8.221 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.168 -1.593 10.126 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.673 -3.236 10.603 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.067 -1.771 5.050 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.093 -1.212 4.226 1.00 3.97 C ATOM 1098 C LEU A 69 -5.231 -0.905 5.182 1.00 5.07 C ATOM 1099 O LEU A 69 -5.671 -1.750 5.974 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.439 -2.196 3.092 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.658 -1.785 2.252 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.336 -0.565 1.485 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.137 -2.851 1.171 1.00 9.96 C ATOM 0 H LEU A 69 -3.302 -2.650 5.512 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.809 -0.297 3.706 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.575 -2.294 2.435 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.624 -3.180 3.523 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.456 -1.660 2.984 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.200 -0.272 0.888 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.080 0.241 2.173 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.490 -0.762 0.826 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.002 -2.462 0.635 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.328 -3.042 0.465 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.409 -3.780 1.672 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.850 0.287 5.111 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.114 0.696 5.600 1.00 6.26 C ATOM 1117 C VAL A 70 -7.991 0.999 4.468 1.00 9.22 C ATOM 1118 O VAL A 70 -7.572 1.580 3.420 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.013 1.908 6.516 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.322 2.121 7.248 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.967 1.611 7.566 1.00 8.54 C ATOM 0 H VAL A 70 -5.386 1.064 4.641 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.526 -0.121 6.192 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.767 2.788 5.921 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.237 2.990 7.900 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.121 2.286 6.525 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.552 1.240 7.847 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.873 2.464 8.238 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.264 0.731 8.136 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.009 1.423 7.082 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.304 0.610 4.516 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.214 1.071 3.492 1.00 16.06 C ATOM 1133 C LEU A 71 -10.539 2.516 3.526 1.00 18.09 C ATOM 1134 O LEU A 71 -10.678 3.127 4.587 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.487 0.205 3.493 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.175 -1.293 3.375 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.315 -2.116 3.750 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.808 -1.726 1.913 1.00 19.57 C ATOM 0 H LEU A 71 -9.713 0.006 5.229 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.678 0.950 2.551 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.046 0.386 4.411 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.129 0.506 2.665 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.330 -1.444 4.046 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.051 -3.169 3.652 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.591 -1.906 4.783 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.157 -1.891 3.096 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.598 -2.795 1.892 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.644 -1.508 1.248 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.927 -1.176 1.581 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.682 3.179 2.311 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.888 4.598 2.169 1.00 25.83 C ATOM 1152 C ARG A 72 -12.310 4.892 1.783 1.00 27.74 C ATOM 1153 O ARG A 72 -12.818 4.414 0.768 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.873 5.079 1.158 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.719 6.644 1.068 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.849 7.035 -0.115 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.717 8.508 -0.036 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.899 9.311 -0.722 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.958 8.769 -1.481 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.002 10.638 -0.603 1.00 35.02 N ATOM 0 H ARG A 72 -10.650 2.691 1.416 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.739 5.132 3.107 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.903 4.646 1.404 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.152 4.699 0.175 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.702 7.105 0.970 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.279 7.024 1.990 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.874 6.550 -0.063 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.307 6.731 -1.057 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.333 8.971 0.632 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.867 7.754 -1.534 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.324 9.366 -2.012 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.707 11.042 0.014 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.375 11.247 -1.129 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.030 5.752 2.544 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.323 6.262 2.071 1.00 30.76 C ATOM 1176 C LEU A 73 -14.118 7.564 1.237 1.00 32.18 C ATOM 1177 O LEU A 73 -12.990 8.100 1.124 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.339 6.515 3.168 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.802 5.201 3.940 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.584 5.574 5.225 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.639 4.213 3.077 1.00 29.11 C ATOM 0 H LEU A 73 -12.741 6.094 3.461 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.738 5.468 1.451 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.915 7.216 3.887 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.215 6.996 2.733 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.883 4.674 4.197 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.893 4.664 5.740 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.944 6.164 5.882 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.466 6.157 4.958 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.913 3.346 3.679 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.543 4.712 2.726 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.048 3.888 2.220 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.168 8.056 0.492 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.999 9.212 -0.387 1.00 35.33 C ATOM 1195 C ARG A 74 -14.776 10.524 0.340 1.00 36.22 C ATOM 1196 O ARG A 74 -13.979 11.430 -0.071 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.239 9.444 -1.367 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.368 8.443 -2.441 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.932 9.068 -3.742 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.243 8.068 -4.796 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.615 7.984 -6.013 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.807 8.943 -6.453 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.855 6.907 -6.742 1.00 41.93 N ATOM 0 H ARG A 74 -16.109 7.662 0.499 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.103 8.948 -0.949 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.156 9.445 -0.777 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.149 10.432 -1.818 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.393 7.999 -2.643 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.023 7.637 -2.111 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.837 9.626 -3.504 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.210 9.784 -4.134 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.981 7.391 -4.600 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.639 9.771 -5.881 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.355 8.851 -7.363 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.484 6.184 -6.392 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.411 6.799 -7.654 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.447 10.721 1.475 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.259 11.870 2.363 1.00 36.07 C ATOM 1219 C GLY A 75 -14.159 11.794 3.375 1.00 36.16 C ATOM 1220 O GLY A 75 -13.606 12.786 3.832 1.00 36.26 O ATOM 0 H GLY A 75 -16.155 10.069 1.812 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.084 12.749 1.742 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.195 12.038 2.896 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.745 10.631 3.752 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.970 10.409 5.004 1.00 36.19 C ATOM 1226 C GLY A 76 -11.666 9.712 4.843 1.00 36.20 C ATOM 1227 O GLY A 76 -10.854 10.081 3.927 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.329 8.875 5.668 1.00 0.00 O ATOM 0 H GLY A 76 -13.918 9.778 3.220 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.788 11.376 5.473 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.586 9.832 5.693 1.00 36.19 H new TER 1232 GLY A 76