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 60 ASN : amide:sc= 0.0423 K(o=0.32,f=-2.8!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.273 K(o=0.32,f=-1.2) USER MOD Set 2.1: A 55 THR OG1 : rot 138:sc= 1.19 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.05 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.132 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 160:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 2.28 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.29 (180deg=0.926) 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 22 THR OG1 : rot 180:sc= 0.294 USER MOD Single : A 25 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 2.21 (180deg=1.69) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 0.924 (180deg=0.248) USER MOD Single : A 31 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= 0.385 (180deg=-0.0133) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 41 GLN : amide:sc= 0.716 K(o=0.72,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 X(o=0,f=-0.15) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.2 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.583 -7.206 -4.969 1.00 9.67 N ATOM 2 CA MET A 1 11.620 -7.535 -3.512 1.00 10.38 C ATOM 3 C MET A 1 10.280 -7.791 -2.904 1.00 9.62 C ATOM 4 O MET A 1 9.277 -7.356 -3.484 1.00 9.62 O ATOM 5 CB MET A 1 12.296 -6.356 -2.736 1.00 13.77 C ATOM 6 CG MET A 1 11.363 -5.180 -2.411 1.00 16.29 C ATOM 7 SD MET A 1 12.345 -3.938 -1.581 1.00 17.17 S ATOM 8 CE MET A 1 11.112 -2.582 -1.460 1.00 16.11 C ATOM 0 H1 MET A 1 12.449 -6.692 -5.231 1.00 9.67 H new ATOM 0 H2 MET A 1 11.521 -8.085 -5.522 1.00 9.67 H new ATOM 0 H3 MET A 1 10.754 -6.612 -5.170 1.00 9.67 H new ATOM 0 HA MET A 1 12.187 -8.462 -3.429 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.709 -6.742 -1.804 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.134 -5.984 -3.326 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.922 -4.776 -3.322 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.539 -5.507 -1.776 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.563 -1.723 -0.964 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.788 -2.294 -2.460 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.252 -2.923 -0.884 1.00 16.11 H new ATOM 20 N GLN A 2 10.186 -8.480 -1.754 1.00 9.27 N ATOM 21 CA GLN A 2 8.913 -8.769 -1.112 1.00 9.07 C ATOM 22 C GLN A 2 8.492 -7.684 -0.077 1.00 8.72 C ATOM 23 O GLN A 2 9.227 -7.358 0.810 1.00 8.22 O ATOM 24 CB GLN A 2 8.879 -10.164 -0.395 1.00 14.46 C ATOM 25 CG GLN A 2 7.455 -10.666 -0.178 1.00 17.01 C ATOM 26 CD GLN A 2 7.566 -12.088 0.384 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.019 -12.381 1.482 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.061 -13.071 -0.432 1.00 19.49 N ATOM 0 H GLN A 2 10.994 -8.847 -1.252 1.00 9.27 H new ATOM 0 HA GLN A 2 8.204 -8.776 -1.940 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.432 -10.890 -0.991 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.386 -10.089 0.567 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.918 -10.018 0.515 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.897 -10.663 -1.115 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.683 -12.829 -1.348 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.064 -14.043 -0.122 1.00 19.49 H new ATOM 37 N ILE A 3 7.188 -7.339 -0.052 1.00 5.87 N ATOM 38 CA ILE A 3 6.550 -6.610 1.047 1.00 5.07 C ATOM 39 C ILE A 3 5.208 -7.239 1.299 1.00 4.01 C ATOM 40 O ILE A 3 4.638 -7.864 0.377 1.00 4.61 O ATOM 41 CB ILE A 3 6.413 -5.029 0.871 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.620 -4.698 -0.406 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.803 -4.424 0.989 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.114 -3.175 -0.414 1.00 10.83 C ATOM 0 H ILE A 3 6.545 -7.566 -0.810 1.00 5.87 H new ATOM 0 HA ILE A 3 7.220 -6.702 1.902 1.00 5.07 H new ATOM 0 HB ILE A 3 5.818 -4.566 1.658 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.246 -4.878 -1.280 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.763 -5.366 -0.485 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.740 -3.342 0.872 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.221 -4.660 1.968 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.446 -4.836 0.211 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.559 -2.981 -1.332 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.466 -3.002 0.446 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.973 -2.506 -0.361 1.00 10.83 H new ATOM 56 N PHE A 4 4.551 -7.100 2.490 1.00 4.55 N ATOM 57 CA PHE A 4 3.266 -7.645 2.858 1.00 4.68 C ATOM 58 C PHE A 4 2.349 -6.537 3.067 1.00 5.30 C ATOM 59 O PHE A 4 2.714 -5.461 3.580 1.00 5.58 O ATOM 60 CB PHE A 4 3.342 -8.412 4.181 1.00 4.83 C ATOM 61 CG PHE A 4 4.423 -9.458 4.160 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.304 -10.530 3.321 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.644 -9.262 4.910 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.331 -11.424 3.227 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.628 -10.225 4.856 1.00 10.61 C ATOM 66 CZ PHE A 4 6.505 -11.342 3.991 1.00 8.90 C ATOM 0 H PHE A 4 4.960 -6.560 3.252 1.00 4.55 H new ATOM 0 HA PHE A 4 2.941 -8.318 2.065 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.529 -7.713 4.996 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.381 -8.886 4.382 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.406 -10.669 2.738 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.783 -8.372 5.505 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.235 -12.240 2.526 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.504 -10.128 5.480 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.278 -12.093 3.924 1.00 8.90 H new ATOM 76 N VAL A 5 1.110 -6.718 2.630 1.00 4.44 N ATOM 77 CA VAL A 5 0.125 -5.738 3.009 1.00 3.87 C ATOM 78 C VAL A 5 -0.870 -6.377 3.925 1.00 4.93 C ATOM 79 O VAL A 5 -1.329 -7.511 3.620 1.00 6.84 O ATOM 80 CB VAL A 5 -0.486 -5.055 1.828 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.564 -4.024 2.149 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.615 -4.394 0.930 1.00 9.13 C ATOM 0 H VAL A 5 0.784 -7.489 2.047 1.00 4.44 H new ATOM 0 HA VAL A 5 0.610 -4.930 3.557 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.993 -5.858 1.293 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.940 -3.590 1.222 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.383 -4.508 2.681 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.141 -3.237 2.773 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.144 -3.904 0.078 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.166 -3.656 1.514 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.302 -5.161 0.573 1.00 9.13 H new ATOM 92 N LYS A 6 -1.230 -5.678 5.015 1.00 6.04 N ATOM 93 CA LYS A 6 -2.058 -6.199 6.060 1.00 6.12 C ATOM 94 C LYS A 6 -3.371 -5.471 6.117 1.00 6.57 C ATOM 95 O LYS A 6 -3.431 -4.243 6.073 1.00 5.76 O ATOM 96 CB LYS A 6 -1.335 -6.018 7.364 1.00 7.45 C ATOM 97 CG LYS A 6 -1.463 -7.146 8.359 1.00 11.12 C ATOM 98 CD LYS A 6 -0.725 -8.379 7.796 1.00 14.54 C ATOM 99 CE LYS A 6 -0.424 -9.497 8.858 1.00 18.84 C ATOM 100 NZ LYS A 6 0.486 -10.494 8.246 1.00 20.55 N ATOM 0 H LYS A 6 -0.935 -4.715 5.176 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.260 -7.253 5.868 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.277 -5.867 7.151 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.699 -5.104 7.833 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.037 -6.855 9.319 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.513 -7.380 8.534 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.323 -8.810 6.993 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.216 -8.053 7.353 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.033 -9.062 9.747 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.350 -9.975 9.178 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.548 -11.331 8.861 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.117 -10.775 7.315 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.432 -10.077 8.132 1.00 20.55 H new ATOM 114 N THR A 7 -4.535 -6.160 6.096 1.00 7.41 N ATOM 115 CA THR A 7 -5.831 -5.523 6.114 1.00 7.48 C ATOM 116 C THR A 7 -6.441 -5.348 7.460 1.00 8.75 C ATOM 117 O THR A 7 -5.949 -5.854 8.465 1.00 8.58 O ATOM 118 CB THR A 7 -6.863 -6.228 5.202 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.438 -7.453 5.727 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.376 -6.601 3.747 1.00 9.17 C ATOM 0 H THR A 7 -4.580 -7.179 6.066 1.00 7.41 H new ATOM 0 HA THR A 7 -5.602 -4.530 5.728 1.00 7.48 H new ATOM 0 HB THR A 7 -7.604 -5.429 5.164 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.076 -7.819 5.079 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.187 -7.089 3.206 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.081 -5.694 3.218 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.524 -7.277 3.811 1.00 9.17 H new ATOM 128 N LEU A 8 -7.585 -4.649 7.611 1.00 9.84 N ATOM 129 CA LEU A 8 -8.259 -4.304 8.868 1.00 14.15 C ATOM 130 C LEU A 8 -8.868 -5.590 9.487 1.00 17.37 C ATOM 131 O LEU A 8 -9.168 -5.603 10.688 1.00 17.01 O ATOM 132 CB LEU A 8 -9.302 -3.241 8.623 1.00 16.63 C ATOM 133 CG LEU A 8 -8.658 -1.812 8.300 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.703 -0.892 7.597 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.137 -1.013 9.527 1.00 18.59 C ATOM 0 H LEU A 8 -8.091 -4.290 6.802 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.543 -3.892 9.579 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.938 -3.545 7.792 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.943 -3.157 9.500 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.802 -2.057 7.672 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.250 0.076 7.384 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.026 -1.355 6.664 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.564 -0.754 8.251 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.722 -0.062 9.193 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.961 -0.827 10.216 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.362 -1.589 10.034 1.00 18.59 H new ATOM 147 N THR A 9 -9.086 -6.662 8.750 1.00 18.33 N ATOM 148 CA THR A 9 -9.558 -8.034 9.219 1.00 19.24 C ATOM 149 C THR A 9 -8.456 -9.107 9.204 1.00 19.48 C ATOM 150 O THR A 9 -8.676 -10.299 9.483 1.00 23.14 O ATOM 151 CB THR A 9 -10.704 -8.687 8.415 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.387 -8.733 7.022 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.953 -7.767 8.494 1.00 19.70 C ATOM 0 H THR A 9 -8.942 -6.641 7.740 1.00 18.33 H new ATOM 0 HA THR A 9 -9.898 -7.770 10.221 1.00 19.24 H new ATOM 0 HB THR A 9 -10.866 -9.684 8.824 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.125 -9.152 6.532 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.771 -8.215 7.930 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.252 -7.648 9.535 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.713 -6.791 8.072 1.00 19.70 H new ATOM 161 N GLY A 10 -7.162 -8.709 9.030 1.00 19.43 N ATOM 162 CA GLY A 10 -6.061 -9.612 9.239 1.00 18.74 C ATOM 163 C GLY A 10 -5.747 -10.489 8.095 1.00 17.62 C ATOM 164 O GLY A 10 -5.097 -11.525 8.271 1.00 19.74 O ATOM 0 H GLY A 10 -6.888 -7.768 8.747 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.174 -9.028 9.484 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.282 -10.235 10.105 1.00 18.74 H new ATOM 168 N LYS A 11 -6.127 -10.071 6.906 1.00 13.56 N ATOM 169 CA LYS A 11 -5.681 -10.758 5.678 1.00 11.91 C ATOM 170 C LYS A 11 -4.308 -10.206 5.266 1.00 10.18 C ATOM 171 O LYS A 11 -3.935 -9.056 5.458 1.00 9.10 O ATOM 172 CB LYS A 11 -6.708 -10.652 4.513 1.00 13.43 C ATOM 173 CG LYS A 11 -6.478 -11.649 3.351 1.00 16.69 C ATOM 174 CD LYS A 11 -7.534 -11.467 2.247 1.00 17.92 C ATOM 175 CE LYS A 11 -7.303 -12.461 1.109 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.521 -12.482 0.338 1.00 21.93 N ATOM 0 H LYS A 11 -6.737 -9.269 6.748 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.600 -11.822 5.898 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.709 -10.809 4.915 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.680 -9.638 4.114 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.482 -11.502 2.933 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.517 -12.670 3.731 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.531 -11.609 2.664 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.492 -10.449 1.861 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.457 -12.157 0.492 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.072 -13.452 1.499 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.477 -13.252 -0.359 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.331 -12.635 0.972 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.635 -11.574 -0.156 1.00 21.93 H new ATOM 190 N THR A 12 -3.482 -11.060 4.678 1.00 9.63 N ATOM 191 CA THR A 12 -2.181 -10.698 4.298 1.00 9.85 C ATOM 192 C THR A 12 -2.098 -10.917 2.825 1.00 11.66 C ATOM 193 O THR A 12 -2.255 -12.035 2.303 1.00 12.33 O ATOM 194 CB THR A 12 -1.084 -11.629 4.857 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.115 -11.592 6.316 1.00 10.91 O ATOM 196 CG2 THR A 12 0.266 -10.975 4.448 1.00 9.63 C ATOM 0 H THR A 12 -3.727 -12.026 4.462 1.00 9.63 H new ATOM 0 HA THR A 12 -2.019 -9.681 4.656 1.00 9.85 H new ATOM 0 HB THR A 12 -1.216 -12.648 4.493 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.668 -12.388 6.673 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.092 -11.585 4.814 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.321 -10.903 3.362 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.333 -9.977 4.881 1.00 9.63 H new ATOM 204 N ILE A 13 -1.702 -9.898 2.109 1.00 10.42 N ATOM 205 CA ILE A 13 -1.458 -9.819 0.688 1.00 11.84 C ATOM 206 C ILE A 13 0.033 -9.693 0.418 1.00 10.55 C ATOM 207 O ILE A 13 0.706 -8.929 1.034 1.00 11.92 O ATOM 208 CB ILE A 13 -2.259 -8.684 0.112 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.746 -8.830 0.533 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.005 -8.502 -1.394 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.487 -7.534 0.316 1.00 16.46 C ATOM 0 H ILE A 13 -1.521 -9.000 2.557 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.784 -10.734 0.193 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.922 -7.737 0.533 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.217 -9.626 -0.044 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.806 -9.119 1.582 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.605 -7.671 -1.766 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.949 -8.291 -1.562 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.281 -9.414 -1.922 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.528 -7.655 0.617 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.026 -6.747 0.913 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.443 -7.262 -0.739 1.00 16.46 H new ATOM 223 N THR A 14 0.582 -10.616 -0.438 1.00 9.39 N ATOM 224 CA THR A 14 2.029 -10.719 -0.647 1.00 9.63 C ATOM 225 C THR A 14 2.332 -10.117 -2.013 1.00 11.20 C ATOM 226 O THR A 14 1.783 -10.628 -2.971 1.00 11.63 O ATOM 227 CB THR A 14 2.542 -12.162 -0.549 1.00 10.38 C ATOM 228 OG1 THR A 14 2.020 -12.919 0.551 1.00 16.30 O ATOM 229 CG2 THR A 14 4.045 -12.036 -0.393 1.00 11.66 C ATOM 0 H THR A 14 0.033 -11.283 -0.979 1.00 9.39 H new ATOM 0 HA THR A 14 2.548 -10.176 0.143 1.00 9.63 H new ATOM 0 HB THR A 14 2.220 -12.707 -1.436 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.398 -13.823 0.535 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.487 -13.029 -0.316 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.459 -11.521 -1.260 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.271 -11.467 0.509 1.00 11.66 H new ATOM 237 N LEU A 15 3.185 -9.053 -2.056 1.00 8.29 N ATOM 238 CA LEU A 15 3.521 -8.298 -3.255 1.00 9.03 C ATOM 239 C LEU A 15 4.972 -8.364 -3.588 1.00 8.59 C ATOM 240 O LEU A 15 5.858 -8.189 -2.731 1.00 7.79 O ATOM 241 CB LEU A 15 3.121 -6.785 -3.032 1.00 11.08 C ATOM 242 CG LEU A 15 1.673 -6.521 -2.564 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.409 -5.030 -2.373 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.651 -7.107 -3.531 1.00 15.27 C ATOM 0 H LEU A 15 3.660 -8.704 -1.224 1.00 8.29 H new ATOM 0 HA LEU A 15 2.972 -8.740 -4.086 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.802 -6.356 -2.297 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.282 -6.247 -3.967 1.00 11.08 H new ATOM 0 HG LEU A 15 1.562 -7.020 -1.602 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.381 -4.882 -2.044 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.092 -4.633 -1.622 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.566 -4.509 -3.317 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.355 -6.900 -3.166 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.780 -6.656 -4.515 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.796 -8.185 -3.604 1.00 15.27 H new ATOM 256 N GLU A 16 5.169 -8.538 -4.949 1.00 11.04 N ATOM 257 CA GLU A 16 6.536 -8.381 -5.587 1.00 11.50 C ATOM 258 C GLU A 16 6.647 -6.967 -6.118 1.00 10.13 C ATOM 259 O GLU A 16 6.006 -6.575 -7.074 1.00 9.83 O ATOM 260 CB GLU A 16 6.728 -9.421 -6.665 1.00 17.22 C ATOM 261 CG GLU A 16 8.193 -9.501 -7.229 1.00 23.33 C ATOM 262 CD GLU A 16 9.375 -9.717 -6.300 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.257 -10.583 -5.403 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.405 -8.988 -6.447 1.00 28.90 O ATOM 0 H GLU A 16 4.425 -8.779 -5.604 1.00 11.04 H new ATOM 0 HA GLU A 16 7.330 -8.541 -4.858 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.450 -10.397 -6.267 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.045 -9.206 -7.487 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.210 -10.308 -7.961 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.378 -8.574 -7.772 1.00 23.33 H new ATOM 271 N VAL A 17 7.485 -6.104 -5.452 1.00 8.99 N ATOM 272 CA VAL A 17 7.657 -4.707 -5.818 1.00 8.85 C ATOM 273 C VAL A 17 9.123 -4.370 -5.968 1.00 8.04 C ATOM 274 O VAL A 17 10.047 -5.181 -5.777 1.00 8.99 O ATOM 275 CB VAL A 17 7.008 -3.791 -4.826 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.569 -4.208 -4.532 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.704 -3.872 -3.412 1.00 10.54 C ATOM 0 H VAL A 17 8.048 -6.386 -4.650 1.00 8.99 H new ATOM 0 HA VAL A 17 7.164 -4.558 -6.779 1.00 8.85 H new ATOM 0 HB VAL A 17 7.080 -2.801 -5.277 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.131 -3.520 -3.808 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.988 -4.183 -5.454 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.559 -5.219 -4.124 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.204 -3.193 -2.721 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.637 -4.891 -3.031 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.752 -3.588 -3.506 1.00 10.54 H new ATOM 287 N GLU A 18 9.353 -3.084 -6.365 1.00 7.29 N ATOM 288 CA GLU A 18 10.696 -2.515 -6.449 1.00 7.08 C ATOM 289 C GLU A 18 10.680 -1.218 -5.621 1.00 6.45 C ATOM 290 O GLU A 18 9.621 -0.640 -5.536 1.00 5.28 O ATOM 291 CB GLU A 18 11.197 -2.252 -7.867 1.00 10.28 C ATOM 292 CG GLU A 18 11.472 -3.551 -8.656 1.00 12.65 C ATOM 293 CD GLU A 18 12.556 -4.415 -7.997 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.421 -3.870 -7.248 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.606 -5.619 -8.200 1.00 14.33 O ATOM 0 H GLU A 18 8.611 -2.436 -6.629 1.00 7.29 H new ATOM 0 HA GLU A 18 11.401 -3.249 -6.058 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.459 -1.656 -8.403 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.111 -1.660 -7.820 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.550 -4.127 -8.736 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.779 -3.299 -9.671 1.00 12.65 H new ATOM 302 N PRO A 19 11.719 -0.701 -5.047 1.00 7.24 N ATOM 303 CA PRO A 19 11.813 0.610 -4.425 1.00 7.07 C ATOM 304 C PRO A 19 11.288 1.822 -5.159 1.00 6.65 C ATOM 305 O PRO A 19 10.773 2.720 -4.489 1.00 6.37 O ATOM 306 CB PRO A 19 13.242 0.858 -4.139 1.00 7.61 C ATOM 307 CG PRO A 19 13.863 -0.533 -4.020 1.00 8.16 C ATOM 308 CD PRO A 19 12.984 -1.394 -4.939 1.00 7.49 C ATOM 0 HA PRO A 19 11.150 0.528 -3.564 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.711 1.434 -4.937 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.368 1.428 -3.218 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.905 -0.537 -4.341 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.845 -0.895 -2.992 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.446 -1.516 -5.918 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.847 -2.393 -4.524 1.00 7.49 H new ATOM 316 N SER A 20 11.426 1.925 -6.522 1.00 6.80 N ATOM 317 CA SER A 20 11.031 3.089 -7.321 1.00 6.28 C ATOM 318 C SER A 20 9.581 3.191 -7.567 1.00 8.45 C ATOM 319 O SER A 20 9.069 4.249 -7.922 1.00 7.26 O ATOM 320 CB SER A 20 11.780 3.068 -8.678 1.00 8.57 C ATOM 321 OG SER A 20 13.239 3.200 -8.522 1.00 11.13 O ATOM 0 H SER A 20 11.825 1.175 -7.086 1.00 6.80 H new ATOM 0 HA SER A 20 11.305 3.964 -6.732 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.557 2.136 -9.198 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.411 3.879 -9.305 1.00 8.57 H new ATOM 0 HG SER A 20 13.665 3.180 -9.404 1.00 11.13 H new ATOM 327 N ASP A 21 8.861 2.066 -7.314 1.00 7.50 N ATOM 328 CA ASP A 21 7.415 1.927 -7.467 1.00 7.70 C ATOM 329 C ASP A 21 6.674 2.856 -6.516 1.00 7.08 C ATOM 330 O ASP A 21 7.082 3.032 -5.373 1.00 8.11 O ATOM 331 CB ASP A 21 6.971 0.469 -7.242 1.00 11.00 C ATOM 332 CG ASP A 21 7.460 -0.433 -8.323 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.970 0.077 -9.349 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.272 -1.655 -8.150 1.00 14.36 O ATOM 0 H ASP A 21 9.303 1.207 -6.986 1.00 7.50 H new ATOM 0 HA ASP A 21 7.164 2.208 -8.490 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.346 0.119 -6.280 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.883 0.424 -7.196 1.00 11.00 H new ATOM 339 N THR A 22 5.578 3.591 -6.897 1.00 5.37 N ATOM 340 CA THR A 22 4.747 4.389 -6.012 1.00 6.01 C ATOM 341 C THR A 22 3.742 3.674 -5.119 1.00 8.01 C ATOM 342 O THR A 22 3.470 2.470 -5.314 1.00 8.11 O ATOM 343 CB THR A 22 4.035 5.485 -6.786 1.00 8.92 C ATOM 344 OG1 THR A 22 2.967 5.049 -7.659 1.00 10.22 O ATOM 345 CG2 THR A 22 4.933 6.305 -7.639 1.00 9.65 C ATOM 0 H THR A 22 5.263 3.626 -7.866 1.00 5.37 H new ATOM 0 HA THR A 22 5.482 4.781 -5.309 1.00 6.01 H new ATOM 0 HB THR A 22 3.622 6.066 -5.962 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.574 5.826 -8.108 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.348 7.065 -8.158 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.685 6.789 -7.016 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.426 5.664 -8.370 1.00 9.65 H new ATOM 353 N ILE A 23 3.114 4.415 -4.204 1.00 8.32 N ATOM 354 CA ILE A 23 2.007 4.020 -3.389 1.00 9.92 C ATOM 355 C ILE A 23 0.804 3.643 -4.308 1.00 10.01 C ATOM 356 O ILE A 23 0.162 2.598 -4.209 1.00 8.71 O ATOM 357 CB ILE A 23 1.654 5.075 -2.322 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.919 5.353 -1.392 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.412 4.684 -1.516 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.592 4.152 -0.710 1.00 12.30 C ATOM 0 H ILE A 23 3.402 5.375 -4.014 1.00 8.32 H new ATOM 0 HA ILE A 23 2.285 3.136 -2.815 1.00 9.92 H new ATOM 0 HB ILE A 23 1.397 6.005 -2.829 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.672 5.859 -1.996 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.613 6.051 -0.613 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.200 5.456 -0.776 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.440 4.582 -2.188 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.591 3.735 -1.010 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.435 4.498 -0.112 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.872 3.650 -0.064 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.947 3.455 -1.469 1.00 12.30 H new ATOM 372 N GLU A 24 0.604 4.520 -5.346 1.00 9.54 N ATOM 373 CA GLU A 24 -0.432 4.240 -6.388 1.00 11.81 C ATOM 374 C GLU A 24 -0.136 2.986 -7.239 1.00 11.14 C ATOM 375 O GLU A 24 -1.043 2.271 -7.654 1.00 10.62 O ATOM 376 CB GLU A 24 -0.687 5.535 -7.258 1.00 19.24 C ATOM 377 CG GLU A 24 -1.792 5.385 -8.343 1.00 27.76 C ATOM 378 CD GLU A 24 -2.019 6.709 -9.070 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.265 7.704 -8.354 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.946 6.788 -10.328 1.00 36.51 O ATOM 0 H GLU A 24 1.123 5.388 -5.478 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.358 3.991 -5.869 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.959 6.355 -6.593 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.246 5.817 -7.746 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.503 4.616 -9.059 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.722 5.055 -7.879 1.00 27.76 H new ATOM 387 N ASN A 25 1.129 2.642 -7.548 1.00 9.43 N ATOM 388 CA ASN A 25 1.503 1.351 -8.170 1.00 10.96 C ATOM 389 C ASN A 25 1.280 0.050 -7.338 1.00 9.68 C ATOM 390 O ASN A 25 0.863 -1.015 -7.871 1.00 9.33 O ATOM 391 CB ASN A 25 3.002 1.364 -8.553 1.00 16.78 C ATOM 392 CG ASN A 25 3.359 2.328 -9.720 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.538 2.671 -9.819 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.479 2.689 -10.624 1.00 24.70 N ATOM 0 H ASN A 25 1.927 3.253 -7.373 1.00 9.43 H new ATOM 0 HA ASN A 25 0.817 1.296 -9.015 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.586 1.643 -7.676 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.303 0.353 -8.828 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.769 3.259 -11.419 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.505 2.399 -10.532 1.00 24.70 H new ATOM 401 N VAL A 26 1.397 0.186 -6.001 1.00 6.52 N ATOM 402 CA VAL A 26 1.075 -0.855 -5.037 1.00 5.53 C ATOM 403 C VAL A 26 -0.427 -1.000 -4.974 1.00 4.42 C ATOM 404 O VAL A 26 -0.985 -2.055 -5.072 1.00 3.40 O ATOM 405 CB VAL A 26 1.671 -0.557 -3.659 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.294 -1.536 -2.545 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.169 -0.570 -3.817 1.00 8.12 C ATOM 0 H VAL A 26 1.727 1.047 -5.564 1.00 6.52 H new ATOM 0 HA VAL A 26 1.519 -1.797 -5.360 1.00 5.53 H new ATOM 0 HB VAL A 26 1.263 0.403 -3.343 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.771 -1.229 -1.614 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.212 -1.539 -2.414 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.630 -2.538 -2.812 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.638 -0.361 -2.855 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.489 -1.550 -4.172 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.465 0.192 -4.538 1.00 8.12 H new ATOM 417 N LYS A 27 -1.182 0.150 -4.942 1.00 2.64 N ATOM 418 CA LYS A 27 -2.618 0.094 -4.915 1.00 4.14 C ATOM 419 C LYS A 27 -3.276 -0.666 -6.049 1.00 5.58 C ATOM 420 O LYS A 27 -4.224 -1.445 -5.844 1.00 4.11 O ATOM 421 CB LYS A 27 -3.239 1.521 -4.861 1.00 3.97 C ATOM 422 CG LYS A 27 -2.992 2.273 -3.580 1.00 7.45 C ATOM 423 CD LYS A 27 -3.819 3.556 -3.653 1.00 9.02 C ATOM 424 CE LYS A 27 -3.887 4.391 -2.369 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.649 5.550 -2.493 1.00 15.47 N ATOM 0 H LYS A 27 -0.792 1.093 -4.935 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.824 -0.470 -4.005 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.842 2.106 -5.691 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.315 1.439 -5.015 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.284 1.674 -2.718 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.933 2.502 -3.465 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.412 4.181 -4.447 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.836 3.292 -3.945 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.302 3.778 -1.569 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.875 4.663 -2.069 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -5.116 5.757 -1.587 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.032 6.345 -2.754 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.370 5.414 -3.230 1.00 15.47 H new ATOM 439 N ALA A 28 -2.706 -0.581 -7.254 1.00 6.61 N ATOM 440 CA ALA A 28 -3.009 -1.446 -8.356 1.00 7.74 C ATOM 441 C ALA A 28 -2.707 -2.934 -8.270 1.00 9.17 C ATOM 442 O ALA A 28 -3.506 -3.740 -8.722 1.00 11.45 O ATOM 443 CB ALA A 28 -2.377 -0.840 -9.670 1.00 7.68 C ATOM 0 H ALA A 28 -2.000 0.120 -7.478 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.099 -1.458 -8.347 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.602 -1.491 -10.515 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.796 0.150 -9.852 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.296 -0.760 -9.551 1.00 7.68 H new ATOM 449 N LYS A 29 -1.535 -3.355 -7.701 1.00 8.96 N ATOM 450 CA LYS A 29 -1.330 -4.697 -7.253 1.00 7.90 C ATOM 451 C LYS A 29 -2.309 -5.190 -6.222 1.00 6.92 C ATOM 452 O LYS A 29 -2.770 -6.308 -6.343 1.00 6.87 O ATOM 453 CB LYS A 29 0.142 -4.795 -6.721 1.00 10.28 C ATOM 454 CG LYS A 29 1.130 -4.546 -7.846 1.00 14.94 C ATOM 455 CD LYS A 29 2.547 -4.566 -7.274 1.00 19.69 C ATOM 456 CE LYS A 29 3.684 -4.571 -8.338 1.00 22.63 C ATOM 457 NZ LYS A 29 3.900 -5.874 -8.875 1.00 24.98 N ATOM 0 H LYS A 29 -0.730 -2.745 -7.557 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.503 -5.354 -8.105 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.297 -4.067 -5.925 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.314 -5.781 -6.289 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.024 -5.309 -8.617 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.928 -3.585 -8.319 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.676 -3.696 -6.630 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.656 -5.448 -6.643 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.430 -3.883 -9.144 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.606 -4.206 -7.886 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.175 -5.796 -9.875 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.658 -6.347 -8.344 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.025 -6.430 -8.799 1.00 24.98 H new ATOM 471 N ILE A 30 -2.691 -4.333 -5.274 1.00 4.57 N ATOM 472 CA ILE A 30 -3.826 -4.625 -4.395 1.00 5.58 C ATOM 473 C ILE A 30 -5.068 -4.868 -5.127 1.00 7.26 C ATOM 474 O ILE A 30 -5.858 -5.723 -4.742 1.00 9.46 O ATOM 475 CB ILE A 30 -4.102 -3.611 -3.301 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.919 -3.467 -2.344 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.347 -3.953 -2.479 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.445 -4.722 -1.714 1.00 2.00 C ATOM 0 H ILE A 30 -2.236 -3.438 -5.095 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.492 -5.538 -3.901 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.270 -2.669 -3.823 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.088 -3.019 -2.888 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.197 -2.768 -1.555 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.496 -3.194 -1.711 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.218 -3.983 -3.133 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.215 -4.926 -2.006 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.604 -4.504 -1.056 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.254 -5.166 -1.134 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.128 -5.420 -2.488 1.00 2.00 H new ATOM 490 N GLN A 31 -5.291 -4.079 -6.204 1.00 7.06 N ATOM 491 CA GLN A 31 -6.407 -4.276 -7.096 1.00 8.67 C ATOM 492 C GLN A 31 -6.424 -5.540 -7.868 1.00 10.90 C ATOM 493 O GLN A 31 -7.510 -6.165 -8.023 1.00 9.63 O ATOM 494 CB GLN A 31 -6.755 -2.995 -7.896 1.00 9.12 C ATOM 495 CG GLN A 31 -7.998 -3.110 -8.807 1.00 10.76 C ATOM 496 CD GLN A 31 -8.165 -1.798 -9.667 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.149 -1.271 -10.141 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.363 -1.309 -9.861 1.00 14.76 N ATOM 0 H GLN A 31 -4.691 -3.295 -6.460 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.256 -4.449 -6.435 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.913 -2.178 -7.193 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.897 -2.725 -8.511 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.898 -3.974 -9.464 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.889 -3.272 -8.200 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.175 -1.772 -9.454 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.485 -0.464 -10.420 1.00 14.76 H new ATOM 507 N ASP A 32 -5.248 -5.992 -8.405 1.00 10.93 N ATOM 508 CA ASP A 32 -5.004 -7.259 -9.008 1.00 14.01 C ATOM 509 C ASP A 32 -5.187 -8.470 -8.109 1.00 14.04 C ATOM 510 O ASP A 32 -5.728 -9.559 -8.450 1.00 13.39 O ATOM 511 CB ASP A 32 -3.596 -7.306 -9.688 1.00 18.01 C ATOM 512 CG ASP A 32 -3.434 -8.390 -10.689 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.211 -8.574 -11.648 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.361 -9.047 -10.502 1.00 26.29 O ATOM 0 H ASP A 32 -4.413 -5.407 -8.407 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.790 -7.340 -9.758 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.409 -6.348 -10.174 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.837 -7.425 -8.915 1.00 18.01 H new ATOM 519 N LYS A 33 -4.761 -8.310 -6.849 1.00 14.22 N ATOM 520 CA LYS A 33 -4.966 -9.316 -5.794 1.00 14.00 C ATOM 521 C LYS A 33 -6.418 -9.442 -5.320 1.00 12.37 C ATOM 522 O LYS A 33 -6.873 -10.569 -5.092 1.00 12.17 O ATOM 523 CB LYS A 33 -4.041 -8.954 -4.592 1.00 18.62 C ATOM 524 CG LYS A 33 -2.566 -9.185 -4.928 1.00 24.00 C ATOM 525 CD LYS A 33 -2.063 -10.651 -4.990 1.00 27.61 C ATOM 526 CE LYS A 33 -0.506 -10.761 -5.015 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.110 -12.153 -4.581 1.00 30.06 N ATOM 0 H LYS A 33 -4.264 -7.479 -6.530 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.715 -10.288 -6.218 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.193 -7.910 -4.316 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.316 -9.556 -3.726 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.365 -8.720 -5.893 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.966 -8.655 -4.188 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.447 -11.198 -4.129 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.470 -11.132 -5.880 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.129 -10.556 -6.017 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.064 -10.018 -4.351 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.686 -12.095 -3.914 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.918 -12.615 -4.117 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.175 -12.708 -5.413 1.00 30.06 H new ATOM 541 N GLU A 34 -7.112 -8.359 -5.150 1.00 10.11 N ATOM 542 CA GLU A 34 -8.329 -8.312 -4.298 1.00 10.07 C ATOM 543 C GLU A 34 -9.501 -7.613 -4.971 1.00 9.32 C ATOM 544 O GLU A 34 -10.593 -8.008 -4.601 1.00 11.61 O ATOM 545 CB GLU A 34 -8.030 -7.492 -2.981 1.00 14.77 C ATOM 546 CG GLU A 34 -7.556 -8.312 -1.745 1.00 18.75 C ATOM 547 CD GLU A 34 -8.675 -9.350 -1.397 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.841 -8.966 -1.144 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.411 -10.568 -1.406 1.00 25.19 O ATOM 0 H GLU A 34 -6.876 -7.467 -5.584 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.590 -9.351 -4.098 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.268 -6.747 -3.209 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.934 -6.949 -2.704 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.617 -8.822 -1.963 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.371 -7.652 -0.898 1.00 18.75 H new ATOM 556 N GLY A 35 -9.458 -6.650 -5.966 1.00 7.22 N ATOM 557 CA GLY A 35 -10.576 -5.913 -6.466 1.00 6.29 C ATOM 558 C GLY A 35 -10.970 -4.640 -5.630 1.00 6.93 C ATOM 559 O GLY A 35 -12.168 -4.369 -5.547 1.00 7.41 O ATOM 0 H GLY A 35 -8.585 -6.393 -6.427 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.358 -5.603 -7.488 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.438 -6.579 -6.512 1.00 6.29 H new ATOM 563 N ILE A 36 -10.047 -3.907 -5.010 1.00 5.86 N ATOM 564 CA ILE A 36 -10.326 -2.688 -4.215 1.00 6.07 C ATOM 565 C ILE A 36 -9.828 -1.571 -5.050 1.00 6.36 C ATOM 566 O ILE A 36 -8.601 -1.550 -5.342 1.00 6.18 O ATOM 567 CB ILE A 36 -9.762 -2.623 -2.816 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.134 -3.907 -1.995 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.308 -1.308 -2.135 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.272 -3.930 -0.717 1.00 9.49 C ATOM 0 H ILE A 36 -9.055 -4.141 -5.041 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.396 -2.658 -4.008 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.673 -2.591 -2.848 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.193 -3.900 -1.739 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.956 -4.803 -2.590 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.916 -1.234 -1.121 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.988 -0.440 -2.712 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.397 -1.341 -2.102 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.515 -4.816 -0.130 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.217 -3.953 -0.990 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.474 -3.037 -0.126 1.00 9.49 H new ATOM 582 N PRO A 37 -10.603 -0.613 -5.466 1.00 8.65 N ATOM 583 CA PRO A 37 -10.162 0.556 -6.239 1.00 9.18 C ATOM 584 C PRO A 37 -9.028 1.366 -5.600 1.00 9.85 C ATOM 585 O PRO A 37 -9.183 1.678 -4.441 1.00 8.51 O ATOM 586 CB PRO A 37 -11.442 1.361 -6.498 1.00 11.42 C ATOM 587 CG PRO A 37 -12.491 0.250 -6.630 1.00 9.27 C ATOM 588 CD PRO A 37 -12.060 -0.767 -5.629 1.00 8.33 C ATOM 0 HA PRO A 37 -9.687 0.246 -7.170 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.669 2.042 -5.678 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.369 1.964 -7.403 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.494 0.620 -6.418 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.510 -0.164 -7.638 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.573 -0.616 -4.679 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.307 -1.773 -5.969 1.00 8.33 H new ATOM 596 N PRO A 38 -7.874 1.815 -6.235 1.00 8.71 N ATOM 597 CA PRO A 38 -6.842 2.710 -5.676 1.00 9.08 C ATOM 598 C PRO A 38 -7.426 3.961 -4.890 1.00 9.28 C ATOM 599 O PRO A 38 -6.771 4.489 -4.036 1.00 6.50 O ATOM 600 CB PRO A 38 -5.899 2.997 -6.911 1.00 10.31 C ATOM 601 CG PRO A 38 -5.917 1.678 -7.640 1.00 10.81 C ATOM 602 CD PRO A 38 -7.374 1.316 -7.516 1.00 12.00 C ATOM 0 HA PRO A 38 -6.268 2.267 -4.863 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.277 3.810 -7.531 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.893 3.276 -6.599 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.601 1.774 -8.679 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.265 0.938 -7.175 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.942 1.750 -8.338 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.501 0.235 -7.576 1.00 12.00 H new ATOM 610 N ASP A 39 -8.657 4.418 -5.236 1.00 11.20 N ATOM 611 CA ASP A 39 -9.252 5.606 -4.692 1.00 14.96 C ATOM 612 C ASP A 39 -10.188 5.255 -3.574 1.00 13.99 C ATOM 613 O ASP A 39 -10.785 6.101 -2.980 1.00 13.75 O ATOM 614 CB ASP A 39 -9.899 6.327 -5.846 1.00 24.16 C ATOM 615 CG ASP A 39 -8.914 6.818 -6.931 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.495 5.970 -7.789 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.573 8.035 -6.909 1.00 35.55 O ATOM 0 H ASP A 39 -9.252 3.943 -5.915 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.521 6.273 -4.235 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.628 5.663 -6.310 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.450 7.184 -5.459 1.00 24.16 H new ATOM 622 N GLN A 40 -10.361 4.001 -3.276 1.00 11.60 N ATOM 623 CA GLN A 40 -10.973 3.528 -2.059 1.00 10.76 C ATOM 624 C GLN A 40 -9.910 3.028 -1.126 1.00 8.01 C ATOM 625 O GLN A 40 -10.237 2.483 -0.071 1.00 8.96 O ATOM 626 CB GLN A 40 -11.904 2.302 -2.256 1.00 11.14 C ATOM 627 CG GLN A 40 -13.166 2.790 -2.984 1.00 14.85 C ATOM 628 CD GLN A 40 -14.137 1.651 -3.289 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.973 0.535 -2.781 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.225 1.874 -4.072 1.00 18.16 N ATOM 0 H GLN A 40 -10.069 3.245 -3.896 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.543 4.379 -1.686 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.401 1.529 -2.837 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.164 1.860 -1.294 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.669 3.539 -2.372 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.879 3.279 -3.915 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.369 2.791 -4.495 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.897 1.125 -4.236 1.00 18.16 H new ATOM 639 N GLN A 41 -8.627 3.296 -1.496 1.00 6.52 N ATOM 640 CA GLN A 41 -7.539 2.861 -0.556 1.00 3.87 C ATOM 641 C GLN A 41 -6.903 4.025 0.054 1.00 4.79 C ATOM 642 O GLN A 41 -6.638 5.039 -0.552 1.00 6.34 O ATOM 643 CB GLN A 41 -6.466 1.981 -1.238 1.00 4.20 C ATOM 644 CG GLN A 41 -7.065 0.739 -1.882 1.00 3.20 C ATOM 645 CD GLN A 41 -5.990 -0.137 -2.576 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.865 -0.198 -2.076 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.347 -0.616 -3.793 1.00 7.13 N ATOM 0 H GLN A 41 -8.331 3.765 -2.352 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.017 2.250 0.210 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.947 2.567 -1.996 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.721 1.682 -0.500 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.577 0.149 -1.122 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.816 1.037 -2.614 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.308 -0.516 -4.118 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.654 -1.076 -4.383 1.00 7.13 H new ATOM 656 N ARG A 42 -6.431 3.751 1.299 1.00 5.73 N ATOM 657 CA ARG A 42 -5.417 4.425 2.032 1.00 6.97 C ATOM 658 C ARG A 42 -4.440 3.371 2.497 1.00 7.15 C ATOM 659 O ARG A 42 -4.739 2.189 2.717 1.00 7.33 O ATOM 660 CB ARG A 42 -5.863 5.289 3.188 1.00 13.23 C ATOM 661 CG ARG A 42 -6.918 6.372 2.775 1.00 21.27 C ATOM 662 CD ARG A 42 -6.514 7.757 3.291 1.00 26.14 C ATOM 663 NE ARG A 42 -7.442 8.747 2.619 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.710 9.039 2.987 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.323 8.291 3.907 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.435 9.974 2.396 1.00 36.39 N ATOM 0 H ARG A 42 -6.812 2.971 1.834 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.976 5.155 1.353 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.288 4.654 3.965 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.993 5.784 3.621 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.012 6.398 1.689 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.896 6.103 3.173 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.608 7.811 4.376 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.473 7.974 3.050 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.074 9.243 1.808 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.835 7.502 4.330 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.279 8.509 4.187 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.041 10.513 1.625 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.388 10.156 2.711 1.00 36.39 H new ATOM 680 N LEU A 43 -3.174 3.730 2.626 1.00 4.65 N ATOM 681 CA LEU A 43 -2.131 2.885 3.166 1.00 3.51 C ATOM 682 C LEU A 43 -1.335 3.500 4.295 1.00 5.56 C ATOM 683 O LEU A 43 -1.274 4.704 4.405 1.00 4.19 O ATOM 684 CB LEU A 43 -1.155 2.360 2.040 1.00 3.74 C ATOM 685 CG LEU A 43 -1.687 1.538 0.880 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.766 1.388 -0.274 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.943 0.113 1.397 1.00 6.41 C ATOM 0 H LEU A 43 -2.836 4.651 2.347 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.672 2.044 3.599 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.656 3.231 1.615 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.388 1.762 2.532 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.569 2.071 0.526 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.244 0.784 -1.045 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.527 2.371 -0.679 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.151 0.898 0.054 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.327 -0.505 0.585 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.010 -0.313 1.767 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.673 0.145 2.205 1.00 6.41 H new ATOM 699 N ILE A 44 -0.732 2.653 5.150 1.00 4.58 N ATOM 700 CA ILE A 44 -0.037 3.090 6.340 1.00 5.55 C ATOM 701 C ILE A 44 1.229 2.243 6.568 1.00 5.46 C ATOM 702 O ILE A 44 1.327 1.076 6.210 1.00 6.04 O ATOM 703 CB ILE A 44 -0.838 3.132 7.679 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.213 3.921 7.525 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.065 3.709 8.913 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.147 3.922 8.798 1.00 13.90 C ATOM 0 H ILE A 44 -0.723 1.642 5.019 1.00 4.58 H new ATOM 0 HA ILE A 44 0.180 4.133 6.109 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.019 2.078 7.889 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.990 4.954 7.260 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.767 3.490 6.691 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.714 3.692 9.789 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.820 3.102 9.105 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.238 4.735 8.705 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.054 4.487 8.583 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.411 2.896 9.057 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.622 4.384 9.634 1.00 13.90 H new ATOM 718 N PHE A 45 2.266 2.899 7.005 1.00 6.75 N ATOM 719 CA PHE A 45 3.439 2.173 7.420 1.00 4.70 C ATOM 720 C PHE A 45 3.941 2.746 8.725 1.00 6.34 C ATOM 721 O PHE A 45 4.288 3.909 8.811 1.00 5.45 O ATOM 722 CB PHE A 45 4.584 2.242 6.319 1.00 5.51 C ATOM 723 CG PHE A 45 5.704 1.345 6.718 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.514 -0.066 6.788 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.989 1.858 7.100 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.451 -0.945 7.340 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.974 0.921 7.598 1.00 6.64 C ATOM 728 CZ PHE A 45 7.670 -0.442 7.763 1.00 6.84 C ATOM 0 H PHE A 45 2.328 3.914 7.084 1.00 6.75 H new ATOM 0 HA PHE A 45 3.170 1.125 7.552 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.190 1.941 5.348 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.942 3.266 6.214 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.597 -0.478 6.393 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.214 2.911 7.018 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.228 -1.997 7.435 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.963 1.276 7.848 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.392 -1.101 8.223 1.00 6.84 H new ATOM 738 N ALA A 46 4.126 1.887 9.746 1.00 6.53 N ATOM 739 CA ALA A 46 4.724 2.259 11.007 1.00 7.15 C ATOM 740 C ALA A 46 4.308 3.609 11.678 1.00 9.00 C ATOM 741 O ALA A 46 5.200 4.428 11.966 1.00 11.15 O ATOM 742 CB ALA A 46 6.238 1.920 11.062 1.00 8.99 C ATOM 0 H ALA A 46 3.854 0.905 9.700 1.00 6.53 H new ATOM 0 HA ALA A 46 4.218 1.595 11.708 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.643 2.218 12.029 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.376 0.847 10.926 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.760 2.456 10.269 1.00 8.99 H new ATOM 748 N GLY A 47 2.990 3.864 11.890 1.00 9.35 N ATOM 749 CA GLY A 47 2.511 5.148 12.444 1.00 11.68 C ATOM 750 C GLY A 47 2.401 6.243 11.345 1.00 11.14 C ATOM 751 O GLY A 47 1.982 7.400 11.617 1.00 13.93 O ATOM 0 H GLY A 47 2.246 3.197 11.685 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.537 5.002 12.911 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.192 5.484 13.226 1.00 11.68 H new ATOM 755 N LYS A 48 2.691 5.995 10.036 1.00 10.47 N ATOM 756 CA LYS A 48 2.828 7.042 9.026 1.00 8.82 C ATOM 757 C LYS A 48 1.889 6.755 7.862 1.00 7.68 C ATOM 758 O LYS A 48 1.905 5.669 7.273 1.00 6.47 O ATOM 759 CB LYS A 48 4.252 7.070 8.481 1.00 9.74 C ATOM 760 CG LYS A 48 4.520 8.360 7.745 1.00 14.14 C ATOM 761 CD LYS A 48 6.034 8.610 7.472 1.00 16.32 C ATOM 762 CE LYS A 48 6.290 9.952 6.811 1.00 20.04 C ATOM 763 NZ LYS A 48 7.702 10.212 6.640 1.00 23.92 N ATOM 0 H LYS A 48 2.834 5.054 9.668 1.00 10.47 H new ATOM 0 HA LYS A 48 2.587 7.998 9.490 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.962 6.960 9.301 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.406 6.225 7.810 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.984 8.347 6.796 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.120 9.191 8.326 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.583 8.561 8.413 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.421 7.815 6.835 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.797 9.977 5.839 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.846 10.744 7.415 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.832 11.138 6.185 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.170 10.214 7.569 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.122 9.471 6.043 1.00 23.92 H new ATOM 777 N GLN A 49 1.020 7.725 7.505 1.00 8.89 N ATOM 778 CA GLN A 49 0.151 7.584 6.391 1.00 7.18 C ATOM 779 C GLN A 49 0.923 7.762 5.061 1.00 8.23 C ATOM 780 O GLN A 49 1.725 8.686 4.888 1.00 9.70 O ATOM 781 CB GLN A 49 -1.047 8.550 6.371 1.00 11.67 C ATOM 782 CG GLN A 49 -1.834 8.738 7.679 1.00 15.82 C ATOM 783 CD GLN A 49 -2.870 9.880 7.534 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.531 10.988 7.149 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.121 9.619 7.915 1.00 20.67 N ATOM 0 H GLN A 49 0.926 8.612 8.000 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.247 6.575 6.496 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.684 9.528 6.054 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.744 8.205 5.607 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.342 7.810 7.940 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.146 8.965 8.494 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.373 8.683 8.232 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.826 10.356 7.890 1.00 20.67 H new ATOM 794 N LEU A 50 0.629 6.971 4.070 1.00 6.51 N ATOM 795 CA LEU A 50 1.308 6.919 2.812 1.00 7.41 C ATOM 796 C LEU A 50 0.367 7.455 1.835 1.00 8.27 C ATOM 797 O LEU A 50 -0.826 7.092 1.789 1.00 8.34 O ATOM 798 CB LEU A 50 1.642 5.404 2.402 1.00 7.13 C ATOM 799 CG LEU A 50 2.398 4.654 3.482 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.601 3.201 3.012 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.683 5.231 3.990 1.00 9.11 C ATOM 0 H LEU A 50 -0.141 6.304 4.125 1.00 6.51 H new ATOM 0 HA LEU A 50 2.245 7.474 2.859 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.712 4.878 2.184 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.231 5.402 1.485 1.00 7.13 H new ATOM 0 HG LEU A 50 1.760 4.736 4.362 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.144 2.644 3.776 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.631 2.734 2.843 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.173 3.195 2.084 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.098 4.577 4.757 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.392 5.321 3.167 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.496 6.216 4.417 1.00 9.11 H new ATOM 813 N GLU A 51 0.790 8.354 0.927 1.00 9.43 N ATOM 814 CA GLU A 51 0.051 9.089 -0.075 1.00 11.90 C ATOM 815 C GLU A 51 0.528 8.655 -1.471 1.00 11.49 C ATOM 816 O GLU A 51 1.747 8.562 -1.700 1.00 9.88 O ATOM 817 CB GLU A 51 0.344 10.621 0.056 1.00 16.56 C ATOM 818 CG GLU A 51 0.051 11.344 1.435 1.00 26.06 C ATOM 819 CD GLU A 51 0.273 12.763 1.361 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.633 13.456 0.913 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.342 13.325 1.740 1.00 33.44 O ATOM 0 H GLU A 51 1.779 8.600 0.888 1.00 9.43 H new ATOM 0 HA GLU A 51 -1.012 8.891 0.063 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.397 10.776 -0.180 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.234 11.133 -0.713 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.981 11.154 1.731 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.689 10.918 2.210 1.00 26.06 H new ATOM 828 N ASP A 52 -0.428 8.419 -2.441 1.00 12.71 N ATOM 829 CA ASP A 52 -0.402 8.031 -3.844 1.00 16.56 C ATOM 830 C ASP A 52 0.801 8.378 -4.707 1.00 15.83 C ATOM 831 O ASP A 52 1.358 7.456 -5.303 1.00 17.21 O ATOM 832 CB ASP A 52 -1.647 8.614 -4.463 1.00 21.05 C ATOM 833 CG ASP A 52 -2.974 8.181 -3.880 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.448 7.087 -4.282 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.596 8.957 -3.122 1.00 28.37 O ATOM 0 H ASP A 52 -1.404 8.528 -2.164 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.337 6.943 -3.826 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.584 9.700 -4.391 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.646 8.364 -5.524 1.00 21.05 H new ATOM 840 N GLY A 53 1.366 9.631 -4.731 1.00 15.00 N ATOM 841 CA GLY A 53 2.497 10.036 -5.605 1.00 11.77 C ATOM 842 C GLY A 53 3.854 9.796 -5.058 1.00 11.10 C ATOM 843 O GLY A 53 4.822 10.055 -5.732 1.00 11.25 O ATOM 0 H GLY A 53 1.037 10.389 -4.133 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.408 9.504 -6.552 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.398 11.099 -5.826 1.00 11.77 H new ATOM 847 N ARG A 54 3.949 9.287 -3.812 1.00 8.53 N ATOM 848 CA ARG A 54 5.189 9.066 -3.154 1.00 9.05 C ATOM 849 C ARG A 54 5.667 7.653 -3.408 1.00 8.96 C ATOM 850 O ARG A 54 4.880 6.775 -3.840 1.00 11.60 O ATOM 851 CB ARG A 54 5.005 9.333 -1.656 1.00 7.97 C ATOM 852 CG ARG A 54 4.541 10.751 -1.204 1.00 9.62 C ATOM 853 CD ARG A 54 5.453 11.827 -1.759 1.00 12.20 C ATOM 854 NE ARG A 54 4.998 13.097 -1.201 1.00 18.23 N ATOM 855 CZ ARG A 54 5.649 14.202 -1.428 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.804 14.256 -2.038 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.155 15.398 -1.046 1.00 23.38 N ATOM 0 H ARG A 54 3.137 9.025 -3.254 1.00 8.53 H new ATOM 0 HA ARG A 54 5.949 9.744 -3.543 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.281 8.611 -1.277 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.954 9.122 -1.163 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.519 10.927 -1.540 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.532 10.804 -0.115 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.490 11.634 -1.484 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.410 11.846 -2.848 1.00 12.20 H new ATOM 0 HE ARG A 54 4.157 13.119 -0.624 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.247 13.399 -2.368 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.262 15.156 -2.184 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.255 15.449 -0.569 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.682 16.251 -1.234 1.00 23.38 H new ATOM 871 N THR A 55 7.030 7.373 -3.172 1.00 9.05 N ATOM 872 CA THR A 55 7.613 6.087 -3.489 1.00 9.03 C ATOM 873 C THR A 55 7.917 5.313 -2.251 1.00 8.15 C ATOM 874 O THR A 55 8.051 5.874 -1.169 1.00 5.91 O ATOM 875 CB THR A 55 8.913 6.092 -4.328 1.00 11.15 C ATOM 876 OG1 THR A 55 9.841 7.042 -3.788 1.00 11.95 O ATOM 877 CG2 THR A 55 8.484 6.685 -5.662 1.00 11.71 C ATOM 0 H THR A 55 7.686 8.043 -2.770 1.00 9.05 H new ATOM 0 HA THR A 55 6.835 5.635 -4.104 1.00 9.03 H new ATOM 0 HB THR A 55 9.362 5.100 -4.368 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.742 6.656 -3.788 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.342 6.731 -6.332 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.710 6.059 -6.106 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.092 7.690 -5.504 1.00 11.71 H new ATOM 885 N LEU A 56 8.132 3.954 -2.410 1.00 6.91 N ATOM 886 CA LEU A 56 8.568 3.034 -1.350 1.00 8.29 C ATOM 887 C LEU A 56 9.966 3.340 -0.899 1.00 8.05 C ATOM 888 O LEU A 56 10.327 3.214 0.289 1.00 10.17 O ATOM 889 CB LEU A 56 8.513 1.568 -1.862 1.00 6.60 C ATOM 890 CG LEU A 56 7.092 0.948 -1.969 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.136 -0.383 -2.734 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.452 0.698 -0.603 1.00 8.64 C ATOM 0 H LEU A 56 7.997 3.486 -3.306 1.00 6.91 H new ATOM 0 HA LEU A 56 7.892 3.162 -0.504 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.983 1.527 -2.845 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.112 0.947 -1.196 1.00 6.60 H new ATOM 0 HG LEU A 56 6.486 1.678 -2.506 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.131 -0.800 -2.797 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.522 -0.212 -3.739 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.787 -1.083 -2.209 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.461 0.264 -0.739 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.074 0.010 -0.030 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.364 1.641 -0.064 1.00 8.64 H new ATOM 904 N SER A 57 10.828 3.809 -1.831 1.00 8.92 N ATOM 905 CA SER A 57 12.102 4.394 -1.463 1.00 9.00 C ATOM 906 C SER A 57 12.045 5.672 -0.607 1.00 9.44 C ATOM 907 O SER A 57 12.796 5.881 0.363 1.00 10.91 O ATOM 908 CB SER A 57 12.967 4.868 -2.697 1.00 10.32 C ATOM 909 OG SER A 57 12.138 5.563 -3.635 1.00 13.59 O ATOM 0 H SER A 57 10.649 3.786 -2.835 1.00 8.92 H new ATOM 0 HA SER A 57 12.527 3.556 -0.911 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.773 5.519 -2.359 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.433 4.008 -3.178 1.00 10.32 H new ATOM 0 HG SER A 57 12.680 5.856 -4.397 1.00 13.59 H new ATOM 915 N ASP A 58 11.186 6.685 -0.971 1.00 9.11 N ATOM 916 CA ASP A 58 11.151 7.982 -0.273 1.00 7.91 C ATOM 917 C ASP A 58 10.792 7.921 1.212 1.00 9.12 C ATOM 918 O ASP A 58 11.329 8.594 2.123 1.00 8.61 O ATOM 919 CB ASP A 58 10.136 8.899 -1.055 1.00 8.41 C ATOM 920 CG ASP A 58 10.282 10.407 -0.729 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.453 10.829 -0.810 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.291 11.144 -0.320 1.00 11.70 O ATOM 0 H ASP A 58 10.521 6.610 -1.741 1.00 9.11 H new ATOM 0 HA ASP A 58 12.165 8.383 -0.274 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.278 8.752 -2.126 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.119 8.582 -0.822 1.00 8.41 H new ATOM 927 N TYR A 59 9.916 6.960 1.569 1.00 7.97 N ATOM 928 CA TYR A 59 9.474 6.601 2.892 1.00 8.45 C ATOM 929 C TYR A 59 10.434 5.627 3.486 1.00 10.98 C ATOM 930 O TYR A 59 10.324 5.283 4.638 1.00 12.95 O ATOM 931 CB TYR A 59 8.054 5.838 2.833 1.00 7.94 C ATOM 932 CG TYR A 59 6.925 6.846 2.442 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.731 8.028 3.148 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.965 6.506 1.454 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.615 8.865 2.911 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.856 7.295 1.170 1.00 6.52 C ATOM 937 CZ TYR A 59 4.706 8.476 1.958 1.00 6.76 C ATOM 938 OH TYR A 59 3.605 9.334 1.658 1.00 7.63 O ATOM 0 H TYR A 59 9.472 6.375 0.861 1.00 7.97 H new ATOM 0 HA TYR A 59 9.400 7.519 3.475 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.097 5.027 2.106 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.833 5.388 3.801 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.452 8.315 3.898 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.102 5.591 0.896 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.482 9.783 3.464 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.149 7.030 0.398 1.00 6.52 H new ATOM 0 HH TYR A 59 3.776 10.226 2.026 1.00 7.63 H new ATOM 948 N ASN A 60 11.350 5.065 2.690 1.00 12.38 N ATOM 949 CA ASN A 60 12.307 4.016 3.163 1.00 13.94 C ATOM 950 C ASN A 60 11.533 2.727 3.575 1.00 14.16 C ATOM 951 O ASN A 60 11.759 2.155 4.622 1.00 14.26 O ATOM 952 CB ASN A 60 13.278 4.608 4.248 1.00 19.23 C ATOM 953 CG ASN A 60 14.454 3.638 4.309 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.498 2.588 3.663 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.289 3.948 5.321 1.00 24.09 N ATOM 0 H ASN A 60 11.462 5.310 1.706 1.00 12.38 H new ATOM 0 HA ASN A 60 12.964 3.698 2.353 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.609 5.610 3.975 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.784 4.688 5.216 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.019 3.292 5.598 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.190 4.838 5.809 1.00 24.09 H new ATOM 962 N ILE A 61 10.722 2.147 2.718 1.00 11.08 N ATOM 963 CA ILE A 61 9.989 0.919 3.012 1.00 11.78 C ATOM 964 C ILE A 61 10.637 -0.255 2.348 1.00 13.74 C ATOM 965 O ILE A 61 10.748 -0.282 1.092 1.00 14.60 O ATOM 966 CB ILE A 61 8.507 1.061 2.777 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.003 2.193 3.614 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.795 -0.330 3.118 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.504 2.486 3.372 1.00 11.42 C ATOM 0 H ILE A 61 10.546 2.514 1.783 1.00 11.08 H new ATOM 0 HA ILE A 61 10.053 0.718 4.081 1.00 11.78 H new ATOM 0 HB ILE A 61 8.282 1.293 1.736 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.159 1.960 4.667 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.585 3.089 3.397 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.722 -0.240 2.952 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.197 -1.112 2.474 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.980 -0.587 4.161 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.189 3.316 4.004 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.349 2.748 2.325 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.916 1.601 3.616 1.00 11.42 H new ATOM 981 N GLN A 62 11.182 -1.139 3.210 1.00 13.97 N ATOM 982 CA GLN A 62 12.156 -2.166 2.815 1.00 15.52 C ATOM 983 C GLN A 62 11.651 -3.582 2.588 1.00 13.94 C ATOM 984 O GLN A 62 10.522 -3.895 2.977 1.00 12.15 O ATOM 985 CB GLN A 62 13.294 -2.119 3.856 1.00 19.53 C ATOM 986 CG GLN A 62 13.932 -0.729 4.001 1.00 26.38 C ATOM 987 CD GLN A 62 15.183 -0.726 4.844 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.853 -1.738 4.994 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.623 0.486 5.307 1.00 32.71 N ATOM 0 H GLN A 62 10.954 -1.156 4.204 1.00 13.97 H new ATOM 0 HA GLN A 62 12.483 -1.910 1.807 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.904 -2.434 4.824 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.064 -2.836 3.574 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.170 -0.342 3.010 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.204 -0.048 4.443 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.052 1.321 5.174 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.522 0.554 5.785 1.00 32.71 H new ATOM 998 N LYS A 63 12.539 -4.492 2.071 1.00 11.73 N ATOM 999 CA LYS A 63 12.225 -5.932 2.022 1.00 11.97 C ATOM 1000 C LYS A 63 11.748 -6.633 3.312 1.00 10.41 C ATOM 1001 O LYS A 63 12.379 -6.497 4.341 1.00 9.59 O ATOM 1002 CB LYS A 63 13.375 -6.586 1.248 1.00 13.73 C ATOM 1003 CG LYS A 63 14.553 -7.000 2.187 1.00 16.98 C ATOM 1004 CD LYS A 63 15.860 -7.500 1.375 1.00 20.19 C ATOM 1005 CE LYS A 63 15.731 -8.871 0.645 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.092 -9.446 0.459 1.00 25.97 N ATOM 0 H LYS A 63 13.454 -4.246 1.694 1.00 11.73 H new ATOM 0 HA LYS A 63 11.280 -6.070 1.496 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.004 -7.466 0.723 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.742 -5.894 0.490 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.825 -6.152 2.816 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.218 -7.796 2.852 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.116 -6.741 0.636 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.695 -7.560 2.073 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.110 -9.552 1.228 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.242 -8.740 -0.320 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.018 -10.362 -0.028 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.668 -8.796 -0.112 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.541 -9.582 1.387 1.00 25.97 H new ATOM 1020 N GLU A 64 10.569 -7.201 3.215 1.00 10.04 N ATOM 1021 CA GLU A 64 9.891 -7.936 4.253 1.00 10.94 C ATOM 1022 C GLU A 64 9.273 -6.982 5.244 1.00 9.74 C ATOM 1023 O GLU A 64 9.137 -7.188 6.445 1.00 9.42 O ATOM 1024 CB GLU A 64 10.782 -8.950 4.895 1.00 18.31 C ATOM 1025 CG GLU A 64 11.404 -9.931 3.816 1.00 24.16 C ATOM 1026 CD GLU A 64 12.187 -11.138 4.253 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.371 -11.039 4.686 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.593 -12.242 4.397 1.00 32.61 O ATOM 0 H GLU A 64 10.025 -7.158 2.354 1.00 10.04 H new ATOM 0 HA GLU A 64 9.081 -8.509 3.801 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.582 -8.445 5.435 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.215 -9.524 5.628 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.584 -10.286 3.192 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.057 -9.336 3.177 1.00 24.16 H new ATOM 1035 N SER A 65 8.833 -5.825 4.687 1.00 6.85 N ATOM 1036 CA SER A 65 7.989 -4.894 5.485 1.00 6.90 C ATOM 1037 C SER A 65 6.531 -5.330 5.500 1.00 4.72 C ATOM 1038 O SER A 65 6.122 -6.002 4.578 1.00 3.91 O ATOM 1039 CB SER A 65 8.044 -3.468 5.089 1.00 7.28 C ATOM 1040 OG SER A 65 9.385 -3.041 5.146 1.00 10.56 O ATOM 0 H SER A 65 9.035 -5.522 3.734 1.00 6.85 H new ATOM 0 HA SER A 65 8.432 -4.958 6.479 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.648 -3.339 4.082 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.426 -2.866 5.755 1.00 7.28 H new ATOM 0 HG SER A 65 9.834 -3.259 4.303 1.00 10.56 H new ATOM 1046 N THR A 66 5.770 -4.903 6.520 1.00 4.48 N ATOM 1047 CA THR A 66 4.374 -5.122 6.617 1.00 3.80 C ATOM 1048 C THR A 66 3.776 -3.748 6.587 1.00 4.60 C ATOM 1049 O THR A 66 4.063 -3.057 7.603 1.00 5.33 O ATOM 1050 CB THR A 66 3.990 -5.784 7.916 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.532 -7.069 8.039 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.476 -5.969 8.112 1.00 3.40 C ATOM 0 H THR A 66 6.151 -4.382 7.310 1.00 4.48 H new ATOM 0 HA THR A 66 4.030 -5.777 5.816 1.00 3.80 H new ATOM 0 HB THR A 66 4.385 -5.093 8.661 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.259 -7.459 8.896 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.290 -6.452 9.071 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.985 -4.996 8.094 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.078 -6.590 7.309 1.00 3.40 H new ATOM 1060 N LEU A 67 2.923 -3.429 5.565 1.00 4.17 N ATOM 1061 CA LEU A 67 2.238 -2.181 5.403 1.00 3.85 C ATOM 1062 C LEU A 67 0.791 -2.321 5.733 1.00 3.80 C ATOM 1063 O LEU A 67 0.204 -3.398 5.550 1.00 5.54 O ATOM 1064 CB LEU A 67 2.379 -1.662 3.919 1.00 7.18 C ATOM 1065 CG LEU A 67 3.775 -1.110 3.449 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.769 -2.213 3.331 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.563 -0.468 2.096 1.00 11.66 C ATOM 0 H LEU A 67 2.710 -4.089 4.818 1.00 4.17 H new ATOM 0 HA LEU A 67 2.693 -1.464 6.086 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.105 -2.481 3.254 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.643 -0.872 3.772 1.00 7.18 H new ATOM 0 HG LEU A 67 4.162 -0.394 4.174 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.726 -1.807 3.005 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.892 -2.697 4.300 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.417 -2.943 2.602 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.509 -0.070 1.730 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.187 -1.213 1.395 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.839 0.342 2.187 1.00 11.66 H new ATOM 1079 N HIS A 68 0.107 -1.366 6.300 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.308 -1.428 6.567 1.00 4.17 C ATOM 1081 C HIS A 68 -2.121 -0.816 5.426 1.00 5.32 C ATOM 1082 O HIS A 68 -1.650 0.125 4.701 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.512 -0.862 7.963 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.232 -1.961 8.959 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.226 -2.813 9.365 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.166 -2.231 9.747 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.739 -3.517 10.428 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.473 -3.188 10.648 1.00 16.30 N ATOM 0 H HIS A 68 0.533 -0.490 6.601 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.701 -2.444 6.583 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.846 -0.016 8.132 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.531 -0.493 8.079 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.797 -1.748 9.666 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.302 -4.236 11.005 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.146 -3.580 11.357 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.314 -1.402 5.163 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.362 -1.013 4.207 1.00 3.97 C ATOM 1098 C LEU A 69 -5.557 -0.548 5.008 1.00 5.07 C ATOM 1099 O LEU A 69 -5.871 -1.168 6.015 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.873 -2.204 3.313 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.972 -1.977 2.276 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.484 -1.202 1.076 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.495 -3.382 1.825 1.00 9.96 C ATOM 0 H LEU A 69 -3.587 -2.244 5.670 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.933 -0.252 3.555 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.008 -2.603 2.783 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.223 -2.986 3.987 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.765 -1.381 2.728 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.304 -1.069 0.371 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.119 -0.226 1.397 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.676 -1.751 0.593 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.283 -3.256 1.083 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.675 -3.953 1.390 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.892 -3.917 2.688 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.213 0.568 4.607 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.293 1.244 5.350 1.00 6.26 C ATOM 1117 C VAL A 70 -8.289 1.723 4.250 1.00 9.22 C ATOM 1118 O VAL A 70 -7.910 1.977 3.087 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.641 2.478 5.997 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.586 3.432 6.734 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.651 2.078 7.035 1.00 8.54 C ATOM 0 H VAL A 70 -5.994 1.034 3.727 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.785 0.625 6.100 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.213 2.988 5.134 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.014 4.263 7.148 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.331 3.816 6.038 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.086 2.897 7.542 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.206 2.970 7.476 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.152 1.501 7.812 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.870 1.470 6.578 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.589 1.866 4.677 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.733 2.230 3.854 1.00 16.06 C ATOM 1133 C LEU A 71 -10.903 3.770 3.768 1.00 18.09 C ATOM 1134 O LEU A 71 -11.161 4.381 4.777 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.998 1.516 4.395 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.061 1.359 3.244 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.567 0.275 2.245 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.451 1.005 3.774 1.00 19.57 C ATOM 0 H LEU A 71 -9.849 1.718 5.652 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.567 1.894 2.830 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.731 0.536 4.791 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.424 2.088 5.219 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.158 2.320 2.740 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.297 0.159 1.444 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.609 0.579 1.822 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.448 -0.674 2.768 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.145 0.909 2.939 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.404 0.061 4.317 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.796 1.792 4.444 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.919 4.349 2.544 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.250 5.703 2.214 1.00 25.83 C ATOM 1152 C ARG A 72 -12.701 5.822 1.858 1.00 27.74 C ATOM 1153 O ARG A 72 -13.216 5.144 0.949 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.441 6.127 1.014 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.899 7.448 0.447 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.797 8.061 -0.381 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.411 9.294 -0.936 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.243 9.621 -2.223 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.351 9.026 -3.055 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.064 10.513 -2.789 1.00 35.02 N ATOM 0 H ARG A 72 -10.676 3.812 1.711 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.034 6.332 3.078 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.391 6.201 1.295 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.511 5.360 0.243 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.788 7.302 -0.166 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.177 8.124 1.256 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.921 8.289 0.226 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.470 7.387 -1.172 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.967 9.898 -0.330 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.753 8.276 -2.709 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.279 9.329 -4.026 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.811 10.938 -2.240 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.943 10.768 -3.769 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.501 6.591 2.554 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.946 6.880 2.341 1.00 30.76 C ATOM 1176 C LEU A 73 -15.137 8.089 1.467 1.00 32.18 C ATOM 1177 O LEU A 73 -14.258 8.979 1.403 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.697 7.015 3.690 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.624 5.847 4.610 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.258 6.227 5.921 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.366 4.677 3.955 1.00 29.11 C ATOM 0 H LEU A 73 -13.147 7.091 3.369 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.383 6.031 1.815 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.304 7.887 4.213 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.747 7.217 3.477 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.592 5.551 4.799 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.212 5.381 6.606 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.723 7.073 6.353 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.299 6.503 5.755 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.326 3.808 4.611 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.406 4.956 3.784 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.894 4.434 3.003 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.259 8.301 0.770 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.515 9.464 -0.068 1.00 35.33 C ATOM 1195 C ARG A 74 -16.458 10.876 0.536 1.00 36.22 C ATOM 1196 O ARG A 74 -15.816 11.782 0.034 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.793 9.283 -0.871 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.719 8.067 -1.903 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.769 8.179 -3.036 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.008 6.935 -3.787 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.816 6.907 -5.129 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.120 7.789 -5.766 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.201 5.744 -5.706 1.00 41.93 N ATOM 0 H ARG A 74 -17.037 7.641 0.778 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.623 9.463 -0.694 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.625 9.120 -0.186 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.005 10.202 -1.417 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.467 7.167 -1.342 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.717 7.917 -2.316 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.966 9.062 -3.643 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.737 8.252 -2.693 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.318 6.095 -3.298 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.681 8.557 -5.258 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.009 7.718 -6.777 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.592 4.996 -5.134 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.100 5.616 -6.713 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.029 10.983 1.687 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.017 12.165 2.613 1.00 36.07 C ATOM 1219 C GLY A 75 -15.833 12.270 3.467 1.00 36.16 C ATOM 1220 O GLY A 75 -15.654 13.279 4.157 1.00 36.26 O ATOM 0 H GLY A 75 -17.570 10.210 2.075 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.099 13.075 2.018 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.902 12.119 3.248 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.894 11.289 3.386 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.745 11.408 4.295 1.00 36.19 C ATOM 1226 C GLY A 76 -12.429 11.314 3.558 1.00 36.20 C ATOM 1227 O GLY A 76 -11.622 10.429 3.958 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.187 12.048 2.598 1.00 0.00 O ATOM 0 H GLY A 76 -14.907 10.483 2.761 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.798 12.360 4.823 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.796 10.622 5.048 1.00 36.19 H new TER 1232 GLY A 76