USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.439 K(o=0.44,f=-3.5!) USER MOD Set 2.1: A 7 THR OG1 : rot 138:sc= 1.37 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.869 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 116:sc= 0.826 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.047 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.55 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.937 (180deg=0.174) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.0386 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.56 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00421 (180deg=-0.0752) USER MOD Single : A 31 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 41 GLN : amide:sc= 0.609 K(o=0.61,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.131 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 0.94 (180deg=0.251) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0126 X(o=0.013,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.396 -7.477 -5.306 1.00 9.67 N ATOM 2 CA MET A 1 11.327 -7.220 -3.850 1.00 10.38 C ATOM 3 C MET A 1 10.086 -7.585 -3.114 1.00 9.62 C ATOM 4 O MET A 1 8.997 -6.962 -3.361 1.00 9.62 O ATOM 5 CB MET A 1 11.833 -5.779 -3.544 1.00 13.77 C ATOM 6 CG MET A 1 12.368 -5.631 -2.087 1.00 16.29 C ATOM 7 SD MET A 1 12.681 -3.926 -1.522 1.00 17.17 S ATOM 8 CE MET A 1 11.047 -3.359 -0.964 1.00 16.11 C ATOM 0 H1 MET A 1 12.391 -7.530 -5.602 1.00 9.67 H new ATOM 0 H2 MET A 1 10.922 -8.377 -5.523 1.00 9.67 H new ATOM 0 H3 MET A 1 10.923 -6.705 -5.818 1.00 9.67 H new ATOM 0 HA MET A 1 12.003 -7.960 -3.422 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.625 -5.519 -4.247 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.020 -5.071 -3.703 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.650 -6.092 -1.409 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.296 -6.197 -2.002 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.138 -2.368 -0.519 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.368 -3.313 -1.815 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.654 -4.055 -0.223 1.00 16.11 H new ATOM 20 N GLN A 2 10.046 -8.544 -2.167 1.00 9.27 N ATOM 21 CA GLN A 2 8.914 -8.925 -1.344 1.00 9.07 C ATOM 22 C GLN A 2 8.641 -7.804 -0.374 1.00 8.72 C ATOM 23 O GLN A 2 9.605 -7.264 0.133 1.00 8.22 O ATOM 24 CB GLN A 2 9.121 -10.282 -0.604 1.00 14.46 C ATOM 25 CG GLN A 2 9.252 -11.486 -1.617 1.00 17.01 C ATOM 26 CD GLN A 2 9.280 -12.784 -0.862 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.412 -13.699 -0.964 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.394 -12.976 -0.105 1.00 19.49 N ATOM 0 H GLN A 2 10.871 -9.104 -1.953 1.00 9.27 H new ATOM 0 HA GLN A 2 8.052 -9.085 -1.992 1.00 9.07 H new ATOM 0 HB2 GLN A 2 10.018 -10.227 0.013 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.282 -10.462 0.068 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.415 -11.479 -2.315 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.161 -11.379 -2.208 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.091 -12.235 -0.026 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.532 -13.861 0.383 1.00 19.49 H new ATOM 37 N ILE A 3 7.322 -7.629 -0.095 1.00 5.87 N ATOM 38 CA ILE A 3 6.724 -6.855 0.962 1.00 5.07 C ATOM 39 C ILE A 3 5.366 -7.458 1.203 1.00 4.01 C ATOM 40 O ILE A 3 4.872 -8.349 0.452 1.00 4.61 O ATOM 41 CB ILE A 3 6.598 -5.367 0.501 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.967 -5.254 -0.880 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.001 -4.684 0.505 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.414 -3.868 -1.021 1.00 10.83 C ATOM 0 H ILE A 3 6.609 -8.077 -0.671 1.00 5.87 H new ATOM 0 HA ILE A 3 7.320 -6.870 1.874 1.00 5.07 H new ATOM 0 HB ILE A 3 5.943 -4.857 1.207 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.708 -5.450 -1.655 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.176 -5.995 -1.000 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.902 -3.648 0.182 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.417 -4.712 1.512 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.666 -5.214 -0.177 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.955 -3.758 -2.003 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.665 -3.695 -0.248 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.220 -3.142 -0.914 1.00 10.83 H new ATOM 56 N PHE A 4 4.728 -7.144 2.346 1.00 4.55 N ATOM 57 CA PHE A 4 3.473 -7.689 2.758 1.00 4.68 C ATOM 58 C PHE A 4 2.460 -6.563 2.937 1.00 5.30 C ATOM 59 O PHE A 4 2.793 -5.439 3.277 1.00 5.58 O ATOM 60 CB PHE A 4 3.605 -8.362 4.108 1.00 4.83 C ATOM 61 CG PHE A 4 4.623 -9.465 4.108 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.408 -10.563 3.280 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.823 -9.403 4.853 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.348 -11.551 3.087 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.796 -10.410 4.698 1.00 10.61 C ATOM 66 CZ PHE A 4 6.511 -11.557 3.925 1.00 8.90 C ATOM 0 H PHE A 4 5.109 -6.476 3.016 1.00 4.55 H new ATOM 0 HA PHE A 4 3.155 -8.402 1.997 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.882 -7.618 4.855 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.637 -8.766 4.404 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.462 -10.644 2.766 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.993 -8.586 5.539 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.212 -12.302 2.323 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.761 -10.305 5.171 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.157 -12.422 3.964 1.00 8.90 H new ATOM 76 N VAL A 5 1.183 -6.795 2.813 1.00 4.44 N ATOM 77 CA VAL A 5 0.202 -5.884 3.351 1.00 3.87 C ATOM 78 C VAL A 5 -0.835 -6.628 4.196 1.00 4.93 C ATOM 79 O VAL A 5 -1.319 -7.718 3.897 1.00 6.84 O ATOM 80 CB VAL A 5 -0.501 -5.015 2.248 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.390 -3.876 2.877 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.555 -4.197 1.404 1.00 9.13 C ATOM 0 H VAL A 5 0.792 -7.611 2.342 1.00 4.44 H new ATOM 0 HA VAL A 5 0.748 -5.192 3.993 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.075 -5.730 1.658 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.858 -3.298 2.080 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.162 -4.322 3.504 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.765 -3.219 3.482 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.038 -3.605 0.649 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.114 -3.534 2.064 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.243 -4.887 0.916 1.00 9.13 H new ATOM 92 N LYS A 6 -1.273 -5.990 5.341 1.00 6.04 N ATOM 93 CA LYS A 6 -2.354 -6.457 6.198 1.00 6.12 C ATOM 94 C LYS A 6 -3.588 -5.634 6.122 1.00 6.57 C ATOM 95 O LYS A 6 -3.586 -4.410 5.873 1.00 5.76 O ATOM 96 CB LYS A 6 -1.953 -6.572 7.698 1.00 7.45 C ATOM 97 CG LYS A 6 -0.990 -7.732 7.911 1.00 11.12 C ATOM 98 CD LYS A 6 -0.512 -7.909 9.302 1.00 14.54 C ATOM 99 CE LYS A 6 -1.520 -8.655 10.146 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.494 -10.157 10.006 1.00 20.55 N ATOM 0 H LYS A 6 -0.854 -5.121 5.672 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.563 -7.449 5.797 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.489 -5.642 8.028 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.845 -6.717 8.308 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.479 -8.652 7.592 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.126 -7.589 7.262 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.432 -8.453 9.296 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.315 -6.933 9.747 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.351 -8.401 11.193 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.518 -8.300 9.889 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.172 -10.580 10.672 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.754 -10.420 9.034 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.538 -10.509 10.216 1.00 20.55 H new ATOM 114 N THR A 7 -4.810 -6.246 6.305 1.00 7.41 N ATOM 115 CA THR A 7 -6.019 -5.477 6.239 1.00 7.48 C ATOM 116 C THR A 7 -6.662 -5.341 7.621 1.00 8.75 C ATOM 117 O THR A 7 -6.122 -5.789 8.647 1.00 8.58 O ATOM 118 CB THR A 7 -7.100 -6.070 5.334 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.462 -7.400 5.728 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.695 -6.062 3.825 1.00 9.17 C ATOM 0 H THR A 7 -4.939 -7.240 6.491 1.00 7.41 H new ATOM 0 HA THR A 7 -5.694 -4.521 5.830 1.00 7.48 H new ATOM 0 HB THR A 7 -7.967 -5.420 5.455 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.435 -7.503 5.678 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.500 -6.494 3.230 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.515 -5.037 3.502 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.787 -6.650 3.689 1.00 9.17 H new ATOM 128 N LEU A 8 -7.880 -4.706 7.696 1.00 9.84 N ATOM 129 CA LEU A 8 -8.690 -4.574 8.897 1.00 14.15 C ATOM 130 C LEU A 8 -9.880 -5.529 8.915 1.00 17.37 C ATOM 131 O LEU A 8 -10.683 -5.601 9.860 1.00 17.01 O ATOM 132 CB LEU A 8 -9.226 -3.151 9.199 1.00 16.63 C ATOM 133 CG LEU A 8 -8.092 -2.276 9.787 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.639 -0.868 9.965 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.464 -2.828 11.078 1.00 18.59 C ATOM 0 H LEU A 8 -8.312 -4.269 6.882 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.973 -4.828 9.678 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.612 -2.697 8.286 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.056 -3.207 9.903 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.259 -2.278 9.084 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.862 -0.225 10.379 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.957 -0.476 8.999 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.490 -0.892 10.645 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.680 -2.152 11.419 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.231 -2.912 11.848 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.036 -3.811 10.883 1.00 18.59 H new ATOM 147 N THR A 9 -9.813 -6.424 7.947 1.00 18.33 N ATOM 148 CA THR A 9 -10.720 -7.564 7.844 1.00 19.24 C ATOM 149 C THR A 9 -9.864 -8.829 8.139 1.00 19.48 C ATOM 150 O THR A 9 -10.346 -9.973 8.174 1.00 23.14 O ATOM 151 CB THR A 9 -11.257 -7.745 6.481 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.265 -7.526 5.474 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.359 -6.682 6.327 1.00 19.70 C ATOM 0 H THR A 9 -9.121 -6.384 7.199 1.00 18.33 H new ATOM 0 HA THR A 9 -11.553 -7.404 8.528 1.00 19.24 H new ATOM 0 HB THR A 9 -11.617 -8.766 6.355 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.663 -7.658 4.588 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.803 -6.759 5.334 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.128 -6.844 7.082 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.927 -5.689 6.455 1.00 19.70 H new ATOM 161 N GLY A 10 -8.631 -8.597 8.612 1.00 19.43 N ATOM 162 CA GLY A 10 -7.748 -9.616 9.151 1.00 18.74 C ATOM 163 C GLY A 10 -7.022 -10.515 8.197 1.00 17.62 C ATOM 164 O GLY A 10 -6.487 -11.558 8.616 1.00 19.74 O ATOM 0 H GLY A 10 -8.218 -7.665 8.626 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.001 -9.115 9.766 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.338 -10.247 9.816 1.00 18.74 H new ATOM 168 N LYS A 11 -6.993 -10.149 6.904 1.00 13.56 N ATOM 169 CA LYS A 11 -6.383 -10.872 5.745 1.00 11.91 C ATOM 170 C LYS A 11 -4.979 -10.422 5.587 1.00 10.18 C ATOM 171 O LYS A 11 -4.727 -9.251 5.868 1.00 9.10 O ATOM 172 CB LYS A 11 -7.338 -10.672 4.541 1.00 13.43 C ATOM 173 CG LYS A 11 -6.916 -11.629 3.403 1.00 16.69 C ATOM 174 CD LYS A 11 -7.823 -11.532 2.183 1.00 17.92 C ATOM 175 CE LYS A 11 -7.184 -12.354 1.025 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.063 -12.306 -0.155 1.00 21.93 N ATOM 0 H LYS A 11 -7.425 -9.275 6.606 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.292 -11.951 5.873 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.367 -10.872 4.839 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.300 -9.638 4.198 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.891 -11.404 3.107 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.923 -12.654 3.775 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.816 -11.917 2.418 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.947 -10.491 1.885 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.202 -11.950 0.777 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.034 -13.387 1.338 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.523 -12.579 -1.001 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.857 -12.964 -0.023 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.430 -11.340 -0.275 1.00 21.93 H new ATOM 190 N THR A 12 -4.006 -11.323 5.251 1.00 9.63 N ATOM 191 CA THR A 12 -2.649 -10.925 5.042 1.00 9.85 C ATOM 192 C THR A 12 -2.126 -11.446 3.664 1.00 11.66 C ATOM 193 O THR A 12 -2.309 -12.584 3.332 1.00 12.33 O ATOM 194 CB THR A 12 -1.638 -11.369 6.117 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.190 -10.978 7.379 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.247 -10.739 5.932 1.00 9.63 C ATOM 0 H THR A 12 -4.174 -12.321 5.128 1.00 9.63 H new ATOM 0 HA THR A 12 -2.699 -9.837 5.088 1.00 9.85 H new ATOM 0 HB THR A 12 -1.486 -12.446 6.047 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.379 -11.776 7.915 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.419 -11.091 6.720 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.156 -11.026 4.961 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.329 -9.653 5.984 1.00 9.63 H new ATOM 204 N ILE A 13 -1.593 -10.484 2.831 1.00 10.42 N ATOM 205 CA ILE A 13 -1.213 -10.814 1.433 1.00 11.84 C ATOM 206 C ILE A 13 0.221 -10.277 1.102 1.00 10.55 C ATOM 207 O ILE A 13 0.833 -9.354 1.680 1.00 11.92 O ATOM 208 CB ILE A 13 -2.203 -10.130 0.422 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.266 -8.547 0.580 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.580 -10.841 0.552 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.387 -7.733 -0.200 1.00 16.46 C ATOM 0 H ILE A 13 -1.427 -9.515 3.102 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.245 -11.899 1.339 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.839 -10.256 -0.598 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.380 -8.328 1.642 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.299 -8.148 0.274 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.290 -10.387 -0.139 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.467 -11.899 0.314 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.949 -10.736 1.572 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.285 -6.670 0.020 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.274 -7.894 -1.272 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.372 -8.076 0.116 1.00 16.46 H new ATOM 223 N THR A 14 0.824 -10.935 0.097 1.00 9.39 N ATOM 224 CA THR A 14 2.203 -10.817 -0.281 1.00 9.63 C ATOM 225 C THR A 14 2.258 -10.251 -1.689 1.00 11.20 C ATOM 226 O THR A 14 1.625 -10.761 -2.591 1.00 11.63 O ATOM 227 CB THR A 14 3.023 -12.099 -0.329 1.00 10.38 C ATOM 228 OG1 THR A 14 2.853 -12.835 0.825 1.00 16.30 O ATOM 229 CG2 THR A 14 4.543 -11.803 -0.410 1.00 11.66 C ATOM 0 H THR A 14 0.316 -11.594 -0.493 1.00 9.39 H new ATOM 0 HA THR A 14 2.638 -10.196 0.502 1.00 9.63 H new ATOM 0 HB THR A 14 2.679 -12.639 -1.211 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.400 -12.451 1.541 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.095 -12.742 -0.443 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.754 -11.227 -1.311 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.850 -11.232 0.466 1.00 11.66 H new ATOM 237 N LEU A 15 2.989 -9.122 -1.824 1.00 8.29 N ATOM 238 CA LEU A 15 3.226 -8.424 -3.033 1.00 9.03 C ATOM 239 C LEU A 15 4.710 -8.443 -3.412 1.00 8.59 C ATOM 240 O LEU A 15 5.616 -8.697 -2.640 1.00 7.79 O ATOM 241 CB LEU A 15 2.821 -6.976 -2.941 1.00 11.08 C ATOM 242 CG LEU A 15 1.504 -6.667 -2.200 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.402 -5.122 -2.077 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.334 -7.323 -2.976 1.00 15.27 C ATOM 0 H LEU A 15 3.440 -8.677 -1.025 1.00 8.29 H new ATOM 0 HA LEU A 15 2.626 -8.937 -3.785 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.625 -6.429 -2.447 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.742 -6.581 -3.954 1.00 11.08 H new ATOM 0 HG LEU A 15 1.467 -7.081 -1.193 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.481 -4.858 -1.557 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.257 -4.744 -1.516 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.397 -4.677 -3.072 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.605 -7.113 -2.464 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.295 -6.917 -3.987 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.488 -8.401 -3.024 1.00 15.27 H new ATOM 256 N GLU A 16 5.043 -8.173 -4.744 1.00 11.04 N ATOM 257 CA GLU A 16 6.384 -8.173 -5.310 1.00 11.50 C ATOM 258 C GLU A 16 6.642 -6.851 -6.046 1.00 10.13 C ATOM 259 O GLU A 16 6.045 -6.560 -7.049 1.00 9.83 O ATOM 260 CB GLU A 16 6.665 -9.352 -6.390 1.00 17.22 C ATOM 261 CG GLU A 16 8.136 -9.635 -6.782 1.00 23.33 C ATOM 262 CD GLU A 16 8.918 -10.247 -5.633 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.432 -11.209 -5.023 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.048 -9.752 -5.354 1.00 28.90 O ATOM 0 H GLU A 16 4.331 -7.948 -5.438 1.00 11.04 H new ATOM 0 HA GLU A 16 7.041 -8.326 -4.454 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.239 -10.275 -5.997 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.116 -9.110 -7.300 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.161 -10.309 -7.638 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.614 -8.706 -7.093 1.00 23.33 H new ATOM 271 N VAL A 17 7.555 -6.004 -5.535 1.00 8.99 N ATOM 272 CA VAL A 17 7.714 -4.656 -6.096 1.00 8.85 C ATOM 273 C VAL A 17 9.204 -4.420 -6.436 1.00 8.04 C ATOM 274 O VAL A 17 10.034 -5.330 -6.271 1.00 8.99 O ATOM 275 CB VAL A 17 7.240 -3.641 -5.062 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.733 -3.846 -4.709 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.083 -3.619 -3.773 1.00 10.54 C ATOM 0 H VAL A 17 8.176 -6.223 -4.756 1.00 8.99 H new ATOM 0 HA VAL A 17 7.124 -4.548 -7.006 1.00 8.85 H new ATOM 0 HB VAL A 17 7.373 -2.670 -5.539 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.429 -3.106 -3.969 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.129 -3.729 -5.609 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.588 -4.847 -4.302 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.682 -2.871 -3.089 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.049 -4.600 -3.299 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.116 -3.370 -4.018 1.00 10.54 H new ATOM 287 N GLU A 18 9.546 -3.194 -6.942 1.00 7.29 N ATOM 288 CA GLU A 18 10.847 -2.660 -6.636 1.00 7.08 C ATOM 289 C GLU A 18 10.751 -1.467 -5.734 1.00 6.45 C ATOM 290 O GLU A 18 9.737 -0.799 -5.663 1.00 5.28 O ATOM 291 CB GLU A 18 11.408 -2.056 -7.940 1.00 10.28 C ATOM 292 CG GLU A 18 11.839 -3.097 -9.005 1.00 12.65 C ATOM 293 CD GLU A 18 12.350 -2.441 -10.269 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.694 -1.731 -11.021 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.570 -2.736 -10.526 1.00 14.33 O ATOM 0 H GLU A 18 8.952 -2.609 -7.530 1.00 7.29 H new ATOM 0 HA GLU A 18 11.439 -3.459 -6.190 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.652 -1.403 -8.376 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.267 -1.431 -7.695 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.617 -3.738 -8.590 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.992 -3.739 -9.247 1.00 12.65 H new ATOM 302 N PRO A 19 11.727 -1.117 -4.976 1.00 7.24 N ATOM 303 CA PRO A 19 11.670 0.020 -4.075 1.00 7.07 C ATOM 304 C PRO A 19 11.657 1.377 -4.823 1.00 6.65 C ATOM 305 O PRO A 19 11.351 2.394 -4.274 1.00 6.37 O ATOM 306 CB PRO A 19 12.957 -0.075 -3.195 1.00 7.61 C ATOM 307 CG PRO A 19 13.936 -0.895 -4.044 1.00 8.16 C ATOM 308 CD PRO A 19 13.001 -1.827 -4.885 1.00 7.49 C ATOM 0 HA PRO A 19 10.749 -0.014 -3.493 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.358 0.913 -2.968 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.752 -0.562 -2.242 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.545 -0.256 -4.683 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.622 -1.470 -3.422 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.419 -2.013 -5.874 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.877 -2.797 -4.404 1.00 7.49 H new ATOM 316 N SER A 20 11.936 1.352 -6.091 1.00 6.80 N ATOM 317 CA SER A 20 11.708 2.473 -7.002 1.00 6.28 C ATOM 318 C SER A 20 10.185 2.721 -7.317 1.00 8.45 C ATOM 319 O SER A 20 9.732 3.872 -7.597 1.00 7.26 O ATOM 320 CB SER A 20 12.499 2.389 -8.396 1.00 8.57 C ATOM 321 OG SER A 20 12.349 1.087 -8.969 1.00 11.13 O ATOM 0 H SER A 20 12.341 0.536 -6.550 1.00 6.80 H new ATOM 0 HA SER A 20 12.112 3.313 -6.436 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.119 3.144 -9.085 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.555 2.605 -8.237 1.00 8.57 H new ATOM 0 HG SER A 20 12.834 1.046 -9.820 1.00 11.13 H new ATOM 327 N ASP A 21 9.360 1.687 -7.342 1.00 7.50 N ATOM 328 CA ASP A 21 7.934 1.782 -7.644 1.00 7.70 C ATOM 329 C ASP A 21 7.315 2.801 -6.687 1.00 7.08 C ATOM 330 O ASP A 21 7.663 2.984 -5.536 1.00 8.11 O ATOM 331 CB ASP A 21 7.154 0.447 -7.610 1.00 11.00 C ATOM 332 CG ASP A 21 7.642 -0.428 -8.695 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.872 0.019 -9.863 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.816 -1.637 -8.470 1.00 14.36 O ATOM 0 H ASP A 21 9.667 0.734 -7.149 1.00 7.50 H new ATOM 0 HA ASP A 21 7.853 2.100 -8.683 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.287 -0.042 -6.645 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.086 0.633 -7.728 1.00 11.00 H new ATOM 339 N THR A 22 6.283 3.520 -7.144 1.00 5.37 N ATOM 340 CA THR A 22 5.459 4.508 -6.397 1.00 6.01 C ATOM 341 C THR A 22 4.301 3.810 -5.715 1.00 8.01 C ATOM 342 O THR A 22 3.847 2.698 -6.089 1.00 8.11 O ATOM 343 CB THR A 22 4.956 5.703 -7.261 1.00 8.92 C ATOM 344 OG1 THR A 22 4.133 5.185 -8.285 1.00 10.22 O ATOM 345 CG2 THR A 22 6.122 6.395 -7.933 1.00 9.65 C ATOM 0 H THR A 22 5.971 3.429 -8.111 1.00 5.37 H new ATOM 0 HA THR A 22 6.117 4.950 -5.649 1.00 6.01 H new ATOM 0 HB THR A 22 4.424 6.407 -6.621 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.802 5.920 -8.842 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.754 7.228 -8.533 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.809 6.770 -7.174 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.644 5.687 -8.577 1.00 9.65 H new ATOM 353 N ILE A 23 3.748 4.427 -4.725 1.00 8.32 N ATOM 354 CA ILE A 23 2.664 3.967 -3.896 1.00 9.92 C ATOM 355 C ILE A 23 1.421 3.763 -4.728 1.00 10.01 C ATOM 356 O ILE A 23 0.694 2.823 -4.512 1.00 8.71 O ATOM 357 CB ILE A 23 2.420 4.826 -2.614 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.721 5.057 -1.819 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.378 4.178 -1.681 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.441 3.765 -1.503 1.00 12.30 C ATOM 0 H ILE A 23 4.068 5.354 -4.443 1.00 8.32 H new ATOM 0 HA ILE A 23 2.963 3.000 -3.492 1.00 9.92 H new ATOM 0 HB ILE A 23 2.041 5.786 -2.965 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.382 5.708 -2.391 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.488 5.577 -0.890 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.237 4.806 -0.801 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.430 4.075 -2.210 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.729 3.194 -1.371 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.350 3.983 -0.943 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.792 3.123 -0.907 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.700 3.256 -2.432 1.00 12.30 H new ATOM 372 N GLU A 24 1.244 4.599 -5.791 1.00 9.54 N ATOM 373 CA GLU A 24 0.285 4.392 -6.785 1.00 11.81 C ATOM 374 C GLU A 24 0.382 2.977 -7.409 1.00 11.14 C ATOM 375 O GLU A 24 -0.683 2.400 -7.742 1.00 10.62 O ATOM 376 CB GLU A 24 0.392 5.574 -7.769 1.00 19.24 C ATOM 377 CG GLU A 24 -0.457 5.419 -9.062 1.00 27.76 C ATOM 378 CD GLU A 24 -0.310 6.615 -9.916 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.746 6.878 -10.564 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.344 7.306 -10.043 1.00 34.80 O ATOM 0 H GLU A 24 1.804 5.439 -5.935 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.726 4.390 -6.378 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.085 6.486 -7.256 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.437 5.702 -8.050 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.140 4.531 -9.609 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.506 5.276 -8.802 1.00 27.76 H new ATOM 387 N ASN A 25 1.571 2.442 -7.600 1.00 9.43 N ATOM 388 CA ASN A 25 1.723 1.110 -8.189 1.00 10.96 C ATOM 389 C ASN A 25 1.343 -0.010 -7.295 1.00 9.68 C ATOM 390 O ASN A 25 0.775 -1.050 -7.708 1.00 9.33 O ATOM 391 CB ASN A 25 3.123 0.888 -8.706 1.00 16.78 C ATOM 392 CG ASN A 25 3.741 2.008 -9.582 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.921 2.351 -9.459 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.015 2.510 -10.608 1.00 24.70 N ATOM 0 H ASN A 25 2.449 2.901 -7.359 1.00 9.43 H new ATOM 0 HA ASN A 25 1.014 1.101 -9.017 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.778 0.729 -7.849 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.127 -0.035 -9.286 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.444 3.161 -11.265 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.039 2.237 -10.724 1.00 24.70 H new ATOM 401 N VAL A 26 1.567 0.101 -5.974 1.00 6.52 N ATOM 402 CA VAL A 26 1.193 -0.806 -4.924 1.00 5.53 C ATOM 403 C VAL A 26 -0.340 -0.885 -4.893 1.00 4.42 C ATOM 404 O VAL A 26 -0.935 -1.909 -4.815 1.00 3.40 O ATOM 405 CB VAL A 26 1.829 -0.292 -3.617 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.493 -1.181 -2.402 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.345 -0.158 -3.678 1.00 8.12 C ATOM 0 H VAL A 26 2.062 0.911 -5.601 1.00 6.52 H new ATOM 0 HA VAL A 26 1.556 -1.823 -5.077 1.00 5.53 H new ATOM 0 HB VAL A 26 1.389 0.698 -3.496 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.967 -0.772 -1.510 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.413 -1.209 -2.259 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.862 -2.192 -2.578 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.717 0.209 -2.721 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.788 -1.131 -3.891 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.617 0.544 -4.466 1.00 8.12 H new ATOM 417 N LYS A 27 -0.980 0.258 -4.958 1.00 2.64 N ATOM 418 CA LYS A 27 -2.417 0.340 -5.063 1.00 4.14 C ATOM 419 C LYS A 27 -3.087 -0.311 -6.305 1.00 5.58 C ATOM 420 O LYS A 27 -4.151 -0.963 -6.252 1.00 4.11 O ATOM 421 CB LYS A 27 -2.929 1.759 -5.068 1.00 3.97 C ATOM 422 CG LYS A 27 -2.650 2.374 -3.674 1.00 7.45 C ATOM 423 CD LYS A 27 -3.092 3.812 -3.384 1.00 9.02 C ATOM 424 CE LYS A 27 -2.763 4.295 -1.909 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.187 5.687 -1.699 1.00 15.47 N ATOM 0 H LYS A 27 -0.514 1.165 -4.939 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.692 -0.227 -4.173 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.434 2.340 -5.847 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.997 1.778 -5.286 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.123 1.731 -2.932 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.575 2.321 -3.503 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.606 4.482 -4.093 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.166 3.894 -3.553 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.265 3.647 -1.191 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.692 4.206 -1.725 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.574 6.133 -0.987 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.115 6.211 -2.595 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.172 5.703 -1.367 1.00 15.47 H new ATOM 439 N ALA A 28 -2.507 -0.212 -7.589 1.00 6.61 N ATOM 440 CA ALA A 28 -2.941 -0.994 -8.638 1.00 7.74 C ATOM 441 C ALA A 28 -2.693 -2.512 -8.526 1.00 9.17 C ATOM 442 O ALA A 28 -3.518 -3.328 -8.855 1.00 11.45 O ATOM 443 CB ALA A 28 -2.187 -0.596 -9.913 1.00 7.68 C ATOM 0 H ALA A 28 -1.748 0.427 -7.824 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.017 -0.819 -8.641 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.528 -1.213 -10.745 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.379 0.453 -10.137 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.118 -0.746 -9.765 1.00 7.68 H new ATOM 449 N LYS A 29 -1.589 -2.917 -7.989 1.00 8.96 N ATOM 450 CA LYS A 29 -1.235 -4.281 -7.661 1.00 7.90 C ATOM 451 C LYS A 29 -2.184 -4.972 -6.613 1.00 6.92 C ATOM 452 O LYS A 29 -2.600 -6.136 -6.770 1.00 6.87 O ATOM 453 CB LYS A 29 0.280 -4.256 -7.209 1.00 10.28 C ATOM 454 CG LYS A 29 0.991 -5.644 -6.915 1.00 14.94 C ATOM 455 CD LYS A 29 2.489 -5.525 -6.556 1.00 19.69 C ATOM 456 CE LYS A 29 3.430 -5.034 -7.654 1.00 22.63 C ATOM 457 NZ LYS A 29 3.365 -5.930 -8.807 1.00 24.98 N ATOM 0 H LYS A 29 -0.847 -2.261 -7.745 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.369 -4.911 -8.540 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.852 -3.745 -7.984 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.350 -3.647 -6.308 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.471 -6.139 -6.095 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.889 -6.285 -7.791 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.580 -4.850 -5.705 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.836 -6.504 -6.225 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.156 -4.022 -7.953 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.451 -4.989 -7.276 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.103 -5.669 -9.492 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.515 -6.910 -8.494 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.431 -5.849 -9.257 1.00 24.98 H new ATOM 471 N ILE A 30 -2.469 -4.190 -5.546 1.00 4.57 N ATOM 472 CA ILE A 30 -3.438 -4.558 -4.547 1.00 5.58 C ATOM 473 C ILE A 30 -4.836 -4.604 -5.151 1.00 7.26 C ATOM 474 O ILE A 30 -5.479 -5.616 -4.901 1.00 9.46 O ATOM 475 CB ILE A 30 -3.413 -3.686 -3.289 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.020 -3.927 -2.616 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.527 -4.042 -2.296 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.766 -2.938 -1.498 1.00 2.00 C ATOM 0 H ILE A 30 -2.021 -3.290 -5.374 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.152 -5.554 -4.210 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.574 -2.644 -3.567 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.976 -4.942 -2.222 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.233 -3.841 -3.365 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.459 -3.391 -1.424 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.497 -3.908 -2.774 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.417 -5.080 -1.983 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.790 -3.134 -1.053 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.785 -1.924 -1.898 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.539 -3.043 -0.737 1.00 2.00 H new ATOM 490 N GLN A 31 -5.217 -3.661 -5.996 1.00 7.06 N ATOM 491 CA GLN A 31 -6.516 -3.686 -6.708 1.00 8.67 C ATOM 492 C GLN A 31 -6.669 -4.887 -7.530 1.00 10.90 C ATOM 493 O GLN A 31 -7.703 -5.552 -7.504 1.00 9.63 O ATOM 494 CB GLN A 31 -6.693 -2.412 -7.675 1.00 9.12 C ATOM 495 CG GLN A 31 -7.985 -2.418 -8.526 1.00 10.76 C ATOM 496 CD GLN A 31 -7.976 -1.243 -9.512 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.064 -0.437 -9.759 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.212 -1.184 -10.086 1.00 14.76 N ATOM 0 H GLN A 31 -4.644 -2.847 -6.219 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.275 -3.672 -5.926 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.679 -1.507 -7.067 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.834 -2.359 -8.344 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.066 -3.359 -9.071 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.857 -2.350 -7.876 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.921 -1.876 -9.843 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.427 -0.448 -10.759 1.00 14.76 H new ATOM 507 N ASP A 32 -5.625 -5.208 -8.312 1.00 10.93 N ATOM 508 CA ASP A 32 -5.677 -6.230 -9.222 1.00 14.01 C ATOM 509 C ASP A 32 -5.875 -7.572 -8.478 1.00 14.04 C ATOM 510 O ASP A 32 -6.661 -8.403 -8.902 1.00 13.39 O ATOM 511 CB ASP A 32 -4.503 -6.272 -10.260 1.00 18.01 C ATOM 512 CG ASP A 32 -4.569 -7.363 -11.391 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.497 -7.226 -12.253 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.714 -8.253 -11.510 1.00 26.29 O ATOM 0 H ASP A 32 -4.730 -4.720 -8.285 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.542 -6.036 -9.856 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.443 -5.295 -10.739 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.573 -6.415 -9.710 1.00 18.01 H new ATOM 519 N LYS A 33 -5.162 -7.782 -7.361 1.00 14.22 N ATOM 520 CA LYS A 33 -5.260 -8.972 -6.469 1.00 14.00 C ATOM 521 C LYS A 33 -6.590 -9.107 -5.674 1.00 12.37 C ATOM 522 O LYS A 33 -7.215 -10.180 -5.698 1.00 12.17 O ATOM 523 CB LYS A 33 -4.111 -8.844 -5.519 1.00 18.62 C ATOM 524 CG LYS A 33 -3.594 -10.142 -4.803 1.00 24.00 C ATOM 525 CD LYS A 33 -2.577 -9.876 -3.647 1.00 27.61 C ATOM 526 CE LYS A 33 -1.560 -10.992 -3.424 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.104 -12.340 -3.408 1.00 30.06 N ATOM 0 H LYS A 33 -4.471 -7.107 -7.032 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.236 -9.870 -7.086 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.274 -8.409 -6.065 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.395 -8.128 -4.747 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.449 -10.686 -4.401 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.124 -10.789 -5.544 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.041 -8.951 -3.859 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.132 -9.718 -2.722 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.804 -10.933 -4.207 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.052 -10.813 -2.477 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.347 -13.017 -3.183 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.851 -12.404 -2.687 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.503 -12.564 -4.342 1.00 30.06 H new ATOM 541 N GLU A 34 -7.129 -8.038 -5.087 1.00 10.11 N ATOM 542 CA GLU A 34 -8.184 -8.173 -4.111 1.00 10.07 C ATOM 543 C GLU A 34 -9.446 -7.424 -4.507 1.00 9.32 C ATOM 544 O GLU A 34 -10.469 -7.419 -3.833 1.00 11.61 O ATOM 545 CB GLU A 34 -7.726 -7.530 -2.764 1.00 14.77 C ATOM 546 CG GLU A 34 -6.593 -8.274 -1.955 1.00 18.75 C ATOM 547 CD GLU A 34 -7.030 -9.565 -1.411 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.025 -9.624 -0.637 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.471 -10.616 -1.731 1.00 25.19 O ATOM 0 H GLU A 34 -6.846 -7.077 -5.277 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.391 -9.240 -4.032 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.381 -6.517 -2.974 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.600 -7.442 -2.118 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.734 -8.433 -2.606 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.259 -7.636 -1.137 1.00 18.75 H new ATOM 556 N GLY A 35 -9.548 -6.742 -5.704 1.00 7.22 N ATOM 557 CA GLY A 35 -10.800 -6.254 -6.205 1.00 6.29 C ATOM 558 C GLY A 35 -11.248 -4.884 -5.634 1.00 6.93 C ATOM 559 O GLY A 35 -12.371 -4.457 -5.690 1.00 7.41 O ATOM 0 H GLY A 35 -8.751 -6.540 -6.308 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.733 -6.173 -7.290 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.573 -6.991 -5.987 1.00 6.29 H new ATOM 563 N ILE A 36 -10.234 -4.155 -5.204 1.00 5.86 N ATOM 564 CA ILE A 36 -10.346 -2.871 -4.533 1.00 6.07 C ATOM 565 C ILE A 36 -9.873 -1.609 -5.268 1.00 6.36 C ATOM 566 O ILE A 36 -8.661 -1.411 -5.330 1.00 6.18 O ATOM 567 CB ILE A 36 -9.584 -2.890 -3.170 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.941 -4.176 -2.328 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.919 -1.655 -2.423 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.059 -4.319 -1.099 1.00 9.49 C ATOM 0 H ILE A 36 -9.266 -4.455 -5.318 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.429 -2.780 -4.449 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.511 -2.925 -3.358 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.986 -4.129 -2.020 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.833 -5.061 -2.956 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.394 -1.654 -1.468 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.616 -0.784 -3.005 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.994 -1.617 -2.246 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.342 -5.218 -0.551 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.016 -4.394 -1.406 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.186 -3.448 -0.457 1.00 9.49 H new ATOM 582 N PRO A 37 -10.741 -0.709 -5.800 1.00 8.65 N ATOM 583 CA PRO A 37 -10.401 0.561 -6.381 1.00 9.18 C ATOM 584 C PRO A 37 -9.365 1.338 -5.640 1.00 9.85 C ATOM 585 O PRO A 37 -9.437 1.320 -4.395 1.00 8.51 O ATOM 586 CB PRO A 37 -11.754 1.196 -6.432 1.00 11.42 C ATOM 587 CG PRO A 37 -12.784 0.109 -6.771 1.00 9.27 C ATOM 588 CD PRO A 37 -12.163 -1.032 -5.985 1.00 8.33 C ATOM 0 HA PRO A 37 -9.902 0.492 -7.348 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.992 1.660 -5.475 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.775 1.986 -7.183 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.790 0.358 -6.434 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.847 -0.097 -7.839 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.659 -1.150 -5.022 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.277 -1.975 -6.520 1.00 8.33 H new ATOM 596 N PRO A 38 -8.428 1.993 -6.302 1.00 8.71 N ATOM 597 CA PRO A 38 -7.366 2.794 -5.668 1.00 9.08 C ATOM 598 C PRO A 38 -7.953 3.927 -4.766 1.00 9.28 C ATOM 599 O PRO A 38 -7.384 4.256 -3.695 1.00 6.50 O ATOM 600 CB PRO A 38 -6.483 3.343 -6.768 1.00 10.31 C ATOM 601 CG PRO A 38 -7.464 3.386 -8.002 1.00 10.81 C ATOM 602 CD PRO A 38 -8.410 2.201 -7.757 1.00 12.00 C ATOM 0 HA PRO A 38 -6.775 2.167 -5.000 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.096 4.332 -6.522 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.622 2.701 -6.956 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.008 4.329 -8.048 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.927 3.281 -8.945 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.410 2.416 -8.133 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.060 1.308 -8.275 1.00 12.00 H new ATOM 610 N ASP A 39 -9.134 4.439 -5.148 1.00 11.20 N ATOM 611 CA ASP A 39 -9.967 5.417 -4.490 1.00 14.96 C ATOM 612 C ASP A 39 -10.206 5.111 -3.020 1.00 13.99 C ATOM 613 O ASP A 39 -10.300 5.977 -2.157 1.00 13.75 O ATOM 614 CB ASP A 39 -11.338 5.708 -5.150 1.00 24.16 C ATOM 615 CG ASP A 39 -11.257 6.180 -6.564 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.527 7.155 -6.852 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.895 5.518 -7.437 1.00 35.55 O ATOM 0 H ASP A 39 -9.561 4.134 -6.023 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.362 6.317 -4.601 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.943 4.802 -5.117 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.859 6.461 -4.558 1.00 24.16 H new ATOM 622 N GLN A 40 -10.467 3.864 -2.732 1.00 11.60 N ATOM 623 CA GLN A 40 -10.641 3.382 -1.376 1.00 10.76 C ATOM 624 C GLN A 40 -9.365 3.129 -0.483 1.00 8.01 C ATOM 625 O GLN A 40 -9.455 3.088 0.707 1.00 8.96 O ATOM 626 CB GLN A 40 -11.382 2.084 -1.340 1.00 11.14 C ATOM 627 CG GLN A 40 -12.770 2.115 -1.990 1.00 14.85 C ATOM 628 CD GLN A 40 -13.511 0.773 -1.791 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.604 -0.086 -2.714 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.081 0.518 -0.578 1.00 18.16 N ATOM 0 H GLN A 40 -10.568 3.137 -3.441 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.172 4.235 -0.953 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.780 1.325 -1.839 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.490 1.773 -0.301 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.358 2.925 -1.559 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.671 2.324 -3.055 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.011 1.205 0.173 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.577 -0.360 -0.422 1.00 18.16 H new ATOM 639 N GLN A 41 -8.162 3.140 -1.101 1.00 6.52 N ATOM 640 CA GLN A 41 -6.961 2.701 -0.470 1.00 3.87 C ATOM 641 C GLN A 41 -6.267 3.873 0.340 1.00 4.79 C ATOM 642 O GLN A 41 -5.730 4.863 -0.257 1.00 6.34 O ATOM 643 CB GLN A 41 -6.045 2.000 -1.552 1.00 4.20 C ATOM 644 CG GLN A 41 -6.754 0.736 -2.120 1.00 3.20 C ATOM 645 CD GLN A 41 -5.777 -0.037 -2.937 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.671 -0.365 -2.498 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.175 -0.302 -4.213 1.00 7.13 N ATOM 0 H GLN A 41 -8.029 3.462 -2.060 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.178 1.953 0.292 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.826 2.697 -2.361 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.091 1.721 -1.105 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.136 0.120 -1.306 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.610 1.025 -2.730 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.100 -0.011 -4.530 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.548 -0.792 -4.851 1.00 7.13 H new ATOM 656 N ARG A 42 -6.264 3.736 1.675 1.00 5.73 N ATOM 657 CA ARG A 42 -5.336 4.449 2.522 1.00 6.97 C ATOM 658 C ARG A 42 -4.357 3.373 3.019 1.00 7.15 C ATOM 659 O ARG A 42 -4.764 2.389 3.693 1.00 7.33 O ATOM 660 CB ARG A 42 -6.095 4.932 3.724 1.00 13.23 C ATOM 661 CG ARG A 42 -7.210 5.939 3.353 1.00 21.27 C ATOM 662 CD ARG A 42 -7.897 6.345 4.596 1.00 26.14 C ATOM 663 NE ARG A 42 -8.577 7.629 4.350 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.531 8.191 5.162 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.944 7.707 6.310 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.039 9.398 4.911 1.00 36.39 N ATOM 0 H ARG A 42 -6.907 3.128 2.182 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.849 5.279 2.010 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.537 4.078 4.238 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.403 5.402 4.423 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.785 6.809 2.852 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.917 5.485 2.659 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.618 5.585 4.897 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.180 6.445 5.411 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.318 8.142 3.508 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.548 6.838 6.669 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.661 8.200 6.843 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.720 9.927 4.099 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.747 9.792 5.531 1.00 36.39 H new ATOM 680 N LEU A 43 -3.092 3.592 2.751 1.00 4.65 N ATOM 681 CA LEU A 43 -2.011 2.666 3.170 1.00 3.51 C ATOM 682 C LEU A 43 -1.146 3.382 4.219 1.00 5.56 C ATOM 683 O LEU A 43 -0.675 4.484 4.016 1.00 4.19 O ATOM 684 CB LEU A 43 -1.197 2.289 1.891 1.00 3.74 C ATOM 685 CG LEU A 43 -0.263 1.093 1.996 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.923 -0.176 2.546 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.316 0.914 0.608 1.00 6.41 C ATOM 0 H LEU A 43 -2.760 4.409 2.238 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.394 1.751 3.621 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.904 2.097 1.084 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.606 3.156 1.598 1.00 3.74 H new ATOM 0 HG LEU A 43 0.517 1.281 2.734 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.188 -0.980 2.588 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.306 0.018 3.548 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.745 -0.470 1.894 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.002 0.067 0.606 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.491 0.730 -0.102 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.854 1.817 0.319 1.00 6.41 H new ATOM 699 N ILE A 44 -1.023 2.752 5.359 1.00 4.58 N ATOM 700 CA ILE A 44 -0.322 3.180 6.544 1.00 5.55 C ATOM 701 C ILE A 44 1.011 2.396 6.689 1.00 5.46 C ATOM 702 O ILE A 44 0.972 1.199 6.917 1.00 6.04 O ATOM 703 CB ILE A 44 -1.092 3.086 7.821 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.548 3.497 7.597 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.460 3.823 9.026 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.789 4.934 7.061 1.00 13.90 C ATOM 0 H ILE A 44 -1.453 1.837 5.494 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.146 4.244 6.389 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.055 2.036 8.110 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.997 2.792 6.897 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.081 3.392 8.542 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.093 3.695 9.904 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.528 3.409 9.228 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.369 4.885 8.796 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.859 5.104 6.944 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.381 5.658 7.766 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.296 5.050 6.096 1.00 13.90 H new ATOM 718 N PHE A 45 2.073 3.155 6.725 1.00 6.75 N ATOM 719 CA PHE A 45 3.288 2.551 7.183 1.00 4.70 C ATOM 720 C PHE A 45 4.021 3.656 7.929 1.00 6.34 C ATOM 721 O PHE A 45 3.994 4.856 7.710 1.00 5.45 O ATOM 722 CB PHE A 45 4.117 1.843 6.023 1.00 5.51 C ATOM 723 CG PHE A 45 5.334 1.156 6.454 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.365 -0.029 7.306 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.548 1.768 6.141 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.594 -0.572 7.725 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.742 1.289 6.753 1.00 6.64 C ATOM 728 CZ PHE A 45 7.808 0.094 7.443 1.00 6.84 C ATOM 0 H PHE A 45 2.123 4.138 6.458 1.00 6.75 H new ATOM 0 HA PHE A 45 3.104 1.710 7.851 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.469 1.122 5.525 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.387 2.595 5.281 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.440 -0.492 7.617 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.582 2.593 5.445 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.609 -1.506 8.267 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.637 1.888 6.674 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.756 -0.318 7.757 1.00 6.84 H new ATOM 738 N ALA A 46 4.768 3.257 9.003 1.00 6.53 N ATOM 739 CA ALA A 46 5.539 4.092 9.838 1.00 7.15 C ATOM 740 C ALA A 46 4.717 5.169 10.579 1.00 9.00 C ATOM 741 O ALA A 46 5.183 6.257 10.931 1.00 11.15 O ATOM 742 CB ALA A 46 6.720 4.695 9.073 1.00 8.99 C ATOM 0 H ALA A 46 4.818 2.278 9.284 1.00 6.53 H new ATOM 0 HA ALA A 46 5.935 3.450 10.625 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.298 5.334 9.741 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.357 3.894 8.697 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.348 5.286 8.236 1.00 8.99 H new ATOM 748 N GLY A 47 3.442 4.791 10.859 1.00 9.35 N ATOM 749 CA GLY A 47 2.403 5.649 11.398 1.00 11.68 C ATOM 750 C GLY A 47 1.873 6.661 10.417 1.00 11.14 C ATOM 751 O GLY A 47 1.234 7.619 10.761 1.00 13.93 O ATOM 0 H GLY A 47 3.117 3.837 10.702 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.577 5.028 11.745 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.795 6.174 12.269 1.00 11.68 H new ATOM 755 N LYS A 48 2.212 6.550 9.169 1.00 10.47 N ATOM 756 CA LYS A 48 2.107 7.606 8.086 1.00 8.82 C ATOM 757 C LYS A 48 1.159 7.107 7.012 1.00 7.68 C ATOM 758 O LYS A 48 1.324 6.023 6.429 1.00 6.47 O ATOM 759 CB LYS A 48 3.401 8.038 7.369 1.00 9.74 C ATOM 760 CG LYS A 48 4.529 8.309 8.353 1.00 14.14 C ATOM 761 CD LYS A 48 5.842 8.729 7.666 1.00 16.32 C ATOM 762 CE LYS A 48 7.100 8.562 8.431 1.00 20.04 C ATOM 763 NZ LYS A 48 7.144 9.456 9.534 1.00 23.92 N ATOM 0 H LYS A 48 2.601 5.679 8.807 1.00 10.47 H new ATOM 0 HA LYS A 48 1.771 8.489 8.630 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.707 7.259 6.671 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.208 8.935 6.781 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.220 9.094 9.044 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.707 7.413 8.948 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.934 8.161 6.740 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.755 9.779 7.388 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.181 7.535 8.787 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.954 8.741 7.778 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.034 9.321 10.055 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.090 10.436 9.189 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.340 9.267 10.167 1.00 23.92 H new ATOM 777 N GLN A 49 0.215 7.930 6.570 1.00 8.89 N ATOM 778 CA GLN A 49 -0.559 7.623 5.448 1.00 7.18 C ATOM 779 C GLN A 49 0.164 8.012 4.183 1.00 8.23 C ATOM 780 O GLN A 49 0.372 9.182 3.881 1.00 9.70 O ATOM 781 CB GLN A 49 -1.860 8.435 5.581 1.00 11.67 C ATOM 782 CG GLN A 49 -2.925 7.828 4.643 1.00 15.82 C ATOM 783 CD GLN A 49 -4.307 8.526 4.740 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.881 8.326 5.821 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.691 9.334 3.782 1.00 20.67 N ATOM 0 H GLN A 49 -0.010 8.825 7.005 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.759 6.553 5.394 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.212 8.417 6.613 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.681 9.479 5.323 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.568 7.888 3.615 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.044 6.770 4.878 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.134 9.417 2.931 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.546 9.880 3.887 1.00 20.67 H new ATOM 794 N LEU A 50 0.623 6.985 3.430 1.00 6.51 N ATOM 795 CA LEU A 50 1.555 7.072 2.297 1.00 7.41 C ATOM 796 C LEU A 50 0.933 7.897 1.168 1.00 8.27 C ATOM 797 O LEU A 50 -0.250 7.817 0.891 1.00 8.34 O ATOM 798 CB LEU A 50 1.996 5.697 1.720 1.00 7.13 C ATOM 799 CG LEU A 50 2.589 4.673 2.739 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.219 3.521 1.883 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.602 5.245 3.684 1.00 9.11 C ATOM 0 H LEU A 50 0.333 6.024 3.612 1.00 6.51 H new ATOM 0 HA LEU A 50 2.450 7.550 2.696 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.134 5.237 1.237 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.740 5.875 0.943 1.00 7.13 H new ATOM 0 HG LEU A 50 1.788 4.326 3.391 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.652 2.771 2.545 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.446 3.060 1.268 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.998 3.930 1.240 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.958 4.462 4.353 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.442 5.647 3.117 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.144 6.042 4.269 1.00 9.11 H new ATOM 813 N GLU A 51 1.761 8.683 0.464 1.00 9.43 N ATOM 814 CA GLU A 51 1.232 9.511 -0.569 1.00 11.90 C ATOM 815 C GLU A 51 1.620 8.987 -1.992 1.00 11.49 C ATOM 816 O GLU A 51 2.745 8.598 -2.297 1.00 9.88 O ATOM 817 CB GLU A 51 1.712 11.031 -0.531 1.00 16.56 C ATOM 818 CG GLU A 51 1.158 11.846 0.637 1.00 26.06 C ATOM 819 CD GLU A 51 1.202 13.392 0.443 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.920 13.919 -0.404 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.563 14.077 1.280 1.00 33.44 O ATOM 0 H GLU A 51 2.769 8.746 0.603 1.00 9.43 H new ATOM 0 HA GLU A 51 0.159 9.467 -0.382 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.801 11.053 -0.488 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.420 11.513 -1.464 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.125 11.546 0.811 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.719 11.592 1.536 1.00 26.06 H new ATOM 828 N ASP A 52 0.647 9.050 -2.918 1.00 12.71 N ATOM 829 CA ASP A 52 0.503 8.255 -4.077 1.00 16.56 C ATOM 830 C ASP A 52 1.724 8.376 -5.021 1.00 15.83 C ATOM 831 O ASP A 52 2.219 7.345 -5.471 1.00 17.21 O ATOM 832 CB ASP A 52 -0.815 8.593 -4.783 1.00 21.05 C ATOM 833 CG ASP A 52 -1.885 8.583 -3.654 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.135 9.679 -3.089 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.564 7.530 -3.521 1.00 28.37 O ATOM 0 H ASP A 52 -0.109 9.730 -2.835 1.00 12.71 H new ATOM 0 HA ASP A 52 0.466 7.209 -3.773 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.764 9.566 -5.271 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.049 7.861 -5.556 1.00 21.05 H new ATOM 840 N GLY A 53 2.293 9.589 -5.223 1.00 15.00 N ATOM 841 CA GLY A 53 3.519 9.825 -6.040 1.00 11.77 C ATOM 842 C GLY A 53 4.808 9.798 -5.366 1.00 11.10 C ATOM 843 O GLY A 53 5.814 10.182 -5.926 1.00 11.25 O ATOM 0 H GLY A 53 1.912 10.445 -4.820 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.541 9.076 -6.832 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.416 10.797 -6.523 1.00 11.77 H new ATOM 847 N ARG A 54 4.888 9.345 -4.085 1.00 8.53 N ATOM 848 CA ARG A 54 6.188 9.057 -3.472 1.00 9.05 C ATOM 849 C ARG A 54 6.536 7.634 -3.718 1.00 8.96 C ATOM 850 O ARG A 54 5.682 6.817 -4.052 1.00 11.60 O ATOM 851 CB ARG A 54 6.263 9.317 -1.972 1.00 7.97 C ATOM 852 CG ARG A 54 5.531 10.539 -1.590 1.00 9.62 C ATOM 853 CD ARG A 54 6.054 11.802 -2.257 1.00 12.20 C ATOM 854 NE ARG A 54 5.365 13.004 -1.611 1.00 18.23 N ATOM 855 CZ ARG A 54 5.535 13.232 -0.310 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.740 13.058 0.260 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.514 13.652 0.427 1.00 23.38 N ATOM 0 H ARG A 54 4.083 9.179 -3.481 1.00 8.53 H new ATOM 0 HA ARG A 54 6.892 9.746 -3.939 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.851 8.463 -1.434 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.307 9.409 -1.671 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.478 10.415 -1.844 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.586 10.661 -0.508 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.135 11.875 -2.138 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.852 11.778 -3.328 1.00 12.20 H new ATOM 0 HE ARG A 54 4.781 13.625 -2.171 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.531 12.749 -0.305 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.863 13.235 1.257 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.601 13.800 -0.003 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.642 13.827 1.424 1.00 23.38 H new ATOM 871 N THR A 55 7.846 7.246 -3.489 1.00 9.05 N ATOM 872 CA THR A 55 8.332 5.912 -3.601 1.00 9.03 C ATOM 873 C THR A 55 8.324 5.087 -2.287 1.00 8.15 C ATOM 874 O THR A 55 8.389 5.611 -1.146 1.00 5.91 O ATOM 875 CB THR A 55 9.676 5.744 -4.296 1.00 11.15 C ATOM 876 OG1 THR A 55 10.726 6.125 -3.423 1.00 11.95 O ATOM 877 CG2 THR A 55 9.710 6.664 -5.488 1.00 11.71 C ATOM 0 H THR A 55 8.571 7.910 -3.217 1.00 9.05 H new ATOM 0 HA THR A 55 7.574 5.496 -4.264 1.00 9.03 H new ATOM 0 HB THR A 55 9.802 4.702 -4.592 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.778 7.103 -3.381 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.666 6.559 -6.001 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.901 6.405 -6.171 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.588 7.695 -5.156 1.00 11.71 H new ATOM 885 N LEU A 56 8.475 3.735 -2.425 1.00 6.91 N ATOM 886 CA LEU A 56 8.716 2.851 -1.276 1.00 8.29 C ATOM 887 C LEU A 56 10.039 3.114 -0.564 1.00 8.05 C ATOM 888 O LEU A 56 10.142 2.998 0.661 1.00 10.17 O ATOM 889 CB LEU A 56 8.683 1.389 -1.764 1.00 6.60 C ATOM 890 CG LEU A 56 7.311 0.895 -2.123 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.381 0.316 -3.516 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.682 -0.135 -1.252 1.00 8.64 C ATOM 0 H LEU A 56 8.432 3.251 -3.322 1.00 6.91 H new ATOM 0 HA LEU A 56 7.930 3.052 -0.548 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.332 1.293 -2.635 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.097 0.748 -0.986 1.00 6.60 H new ATOM 0 HG LEU A 56 6.678 1.775 -2.007 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.397 -0.052 -3.807 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.700 1.089 -4.215 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.096 -0.507 -3.533 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.696 -0.388 -1.642 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.306 -1.029 -1.236 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.583 0.256 -0.239 1.00 8.64 H new ATOM 904 N SER A 57 11.078 3.517 -1.339 1.00 8.92 N ATOM 905 CA SER A 57 12.378 3.753 -0.828 1.00 9.00 C ATOM 906 C SER A 57 12.425 4.953 0.076 1.00 9.44 C ATOM 907 O SER A 57 13.153 4.926 1.076 1.00 10.91 O ATOM 908 CB SER A 57 13.462 3.819 -1.938 1.00 10.32 C ATOM 909 OG SER A 57 14.791 3.571 -1.343 1.00 13.59 O ATOM 0 H SER A 57 10.996 3.678 -2.343 1.00 8.92 H new ATOM 0 HA SER A 57 12.621 2.884 -0.217 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.253 3.078 -2.710 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.444 4.796 -2.421 1.00 10.32 H new ATOM 0 HG SER A 57 15.476 3.611 -2.043 1.00 13.59 H new ATOM 915 N ASP A 58 11.482 5.909 -0.165 1.00 9.11 N ATOM 916 CA ASP A 58 11.347 7.198 0.553 1.00 7.91 C ATOM 917 C ASP A 58 10.917 7.068 2.028 1.00 9.12 C ATOM 918 O ASP A 58 11.261 7.827 2.976 1.00 8.61 O ATOM 919 CB ASP A 58 10.319 8.094 -0.130 1.00 8.41 C ATOM 920 CG ASP A 58 10.898 8.647 -1.489 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.997 9.193 -1.352 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.332 8.568 -2.605 1.00 11.70 O ATOM 0 H ASP A 58 10.774 5.793 -0.890 1.00 9.11 H new ATOM 0 HA ASP A 58 12.350 7.625 0.525 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.404 7.533 -0.318 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.055 8.924 0.526 1.00 8.41 H new ATOM 927 N TYR A 59 10.117 5.990 2.235 1.00 7.97 N ATOM 928 CA TYR A 59 9.504 5.606 3.498 1.00 8.45 C ATOM 929 C TYR A 59 10.364 4.569 4.272 1.00 10.98 C ATOM 930 O TYR A 59 10.052 4.165 5.401 1.00 12.95 O ATOM 931 CB TYR A 59 8.083 5.086 3.405 1.00 7.94 C ATOM 932 CG TYR A 59 7.170 6.210 3.034 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.796 7.257 3.888 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.620 6.186 1.751 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.901 8.249 3.541 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.712 7.211 1.349 1.00 6.52 C ATOM 937 CZ TYR A 59 5.445 8.287 2.229 1.00 6.76 C ATOM 938 OH TYR A 59 4.554 9.264 1.780 1.00 7.63 O ATOM 0 H TYR A 59 9.882 5.346 1.480 1.00 7.97 H new ATOM 0 HA TYR A 59 9.457 6.549 4.042 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.022 4.292 2.661 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.778 4.654 4.358 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.234 7.289 4.875 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.881 5.394 1.065 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.565 8.974 4.268 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.233 7.166 0.382 1.00 6.52 H new ATOM 0 HH TYR A 59 5.043 10.092 1.594 1.00 7.63 H new ATOM 948 N ASN A 60 11.501 4.074 3.735 1.00 12.38 N ATOM 949 CA ASN A 60 12.324 2.967 4.244 1.00 13.94 C ATOM 950 C ASN A 60 11.589 1.634 4.326 1.00 14.16 C ATOM 951 O ASN A 60 11.696 0.885 5.277 1.00 14.26 O ATOM 952 CB ASN A 60 13.078 3.361 5.548 1.00 19.23 C ATOM 953 CG ASN A 60 14.279 4.260 5.236 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.254 3.916 4.541 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.298 5.537 5.724 1.00 24.09 N ATOM 0 H ASN A 60 11.889 4.467 2.878 1.00 12.38 H new ATOM 0 HA ASN A 60 13.093 2.786 3.493 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.397 3.879 6.224 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.416 2.462 6.063 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.084 6.152 5.513 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.526 5.875 6.299 1.00 24.09 H new ATOM 962 N ILE A 61 10.832 1.355 3.205 1.00 11.08 N ATOM 963 CA ILE A 61 10.120 0.093 2.978 1.00 11.78 C ATOM 964 C ILE A 61 11.092 -0.811 2.297 1.00 13.74 C ATOM 965 O ILE A 61 11.654 -0.427 1.224 1.00 14.60 O ATOM 966 CB ILE A 61 8.749 0.229 2.252 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.829 1.190 2.959 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.233 -1.177 2.017 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.556 1.578 2.234 1.00 11.42 C ATOM 0 H ILE A 61 10.715 2.023 2.443 1.00 11.08 H new ATOM 0 HA ILE A 61 9.802 -0.331 3.930 1.00 11.78 H new ATOM 0 HB ILE A 61 8.838 0.701 1.274 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.553 0.752 3.918 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.389 2.100 3.173 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.270 -1.131 1.508 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.943 -1.727 1.400 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.114 -1.686 2.974 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.984 2.273 2.849 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.808 2.055 1.287 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.959 0.686 2.044 1.00 11.42 H new ATOM 981 N GLN A 62 11.403 -1.970 2.907 1.00 13.97 N ATOM 982 CA GLN A 62 12.406 -2.803 2.398 1.00 15.52 C ATOM 983 C GLN A 62 11.926 -4.242 2.294 1.00 13.94 C ATOM 984 O GLN A 62 10.732 -4.483 2.498 1.00 12.15 O ATOM 985 CB GLN A 62 13.663 -2.788 3.339 1.00 19.53 C ATOM 986 CG GLN A 62 14.346 -1.371 3.506 1.00 26.38 C ATOM 987 CD GLN A 62 15.441 -1.577 4.593 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.209 -1.440 5.799 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.715 -1.842 4.209 1.00 32.71 N ATOM 0 H GLN A 62 10.949 -2.315 3.753 1.00 13.97 H new ATOM 0 HA GLN A 62 12.662 -2.425 1.408 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.368 -3.152 4.323 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.401 -3.488 2.948 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.781 -1.030 2.567 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.621 -0.617 3.814 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.936 -1.960 3.220 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.452 -1.923 4.909 1.00 32.71 H new ATOM 998 N LYS A 63 12.837 -5.148 1.815 1.00 11.73 N ATOM 999 CA LYS A 63 12.534 -6.589 1.728 1.00 11.97 C ATOM 1000 C LYS A 63 11.830 -7.202 2.872 1.00 10.41 C ATOM 1001 O LYS A 63 12.356 -7.376 3.966 1.00 9.59 O ATOM 1002 CB LYS A 63 13.878 -7.326 1.563 1.00 13.73 C ATOM 1003 CG LYS A 63 13.771 -8.819 1.367 1.00 16.98 C ATOM 1004 CD LYS A 63 15.125 -9.548 1.297 1.00 20.19 C ATOM 1005 CE LYS A 63 15.566 -10.196 2.638 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.767 -11.419 2.919 1.00 25.97 N ATOM 0 H LYS A 63 13.771 -4.896 1.491 1.00 11.73 H new ATOM 0 HA LYS A 63 11.842 -6.685 0.891 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.405 -6.900 0.709 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.490 -7.134 2.444 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.187 -9.240 2.185 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.219 -9.014 0.448 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.069 -10.323 0.532 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.891 -8.840 0.979 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.625 -10.450 2.594 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.443 -9.481 3.451 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.793 -11.624 3.938 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.782 -11.266 2.622 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.166 -12.223 2.394 1.00 25.97 H new ATOM 1020 N GLU A 64 10.537 -7.625 2.667 1.00 10.04 N ATOM 1021 CA GLU A 64 9.826 -8.425 3.624 1.00 10.94 C ATOM 1022 C GLU A 64 9.210 -7.623 4.699 1.00 9.74 C ATOM 1023 O GLU A 64 8.933 -8.071 5.799 1.00 9.42 O ATOM 1024 CB GLU A 64 10.479 -9.797 4.020 1.00 18.31 C ATOM 1025 CG GLU A 64 10.724 -10.697 2.808 1.00 24.16 C ATOM 1026 CD GLU A 64 11.404 -11.995 3.190 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.060 -12.707 4.141 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.365 -12.311 2.464 1.00 31.72 O ATOM 0 H GLU A 64 9.998 -7.403 1.830 1.00 10.04 H new ATOM 0 HA GLU A 64 8.968 -8.819 3.079 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.425 -9.613 4.529 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.831 -10.314 4.728 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.773 -10.916 2.322 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.339 -10.166 2.081 1.00 24.16 H new ATOM 1035 N SER A 65 8.996 -6.340 4.400 1.00 6.85 N ATOM 1036 CA SER A 65 8.395 -5.353 5.228 1.00 6.90 C ATOM 1037 C SER A 65 6.894 -5.360 5.059 1.00 4.72 C ATOM 1038 O SER A 65 6.445 -5.665 3.955 1.00 3.91 O ATOM 1039 CB SER A 65 8.941 -3.881 5.113 1.00 7.28 C ATOM 1040 OG SER A 65 8.501 -3.013 6.167 1.00 10.56 O ATOM 0 H SER A 65 9.269 -5.958 3.494 1.00 6.85 H new ATOM 0 HA SER A 65 8.688 -5.662 6.231 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.031 -3.908 5.109 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.629 -3.462 4.156 1.00 7.28 H new ATOM 0 HG SER A 65 8.878 -2.118 6.033 1.00 10.56 H new ATOM 1046 N THR A 66 6.209 -5.077 6.167 1.00 4.48 N ATOM 1047 CA THR A 66 4.757 -5.224 6.242 1.00 3.80 C ATOM 1048 C THR A 66 4.053 -3.863 6.316 1.00 4.60 C ATOM 1049 O THR A 66 4.308 -3.045 7.201 1.00 5.33 O ATOM 1050 CB THR A 66 4.219 -6.079 7.464 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.761 -7.381 7.502 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.640 -6.282 7.449 1.00 3.40 C ATOM 0 H THR A 66 6.640 -4.743 7.029 1.00 4.48 H new ATOM 0 HA THR A 66 4.523 -5.761 5.323 1.00 3.80 H new ATOM 0 HB THR A 66 4.527 -5.492 8.329 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.398 -7.864 8.274 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.341 -6.876 8.313 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.148 -5.310 7.489 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.348 -6.799 6.535 1.00 3.40 H new ATOM 1060 N LEU A 67 3.149 -3.594 5.404 1.00 4.17 N ATOM 1061 CA LEU A 67 2.306 -2.373 5.430 1.00 3.85 C ATOM 1062 C LEU A 67 0.865 -2.647 5.882 1.00 3.80 C ATOM 1063 O LEU A 67 0.373 -3.721 5.681 1.00 5.54 O ATOM 1064 CB LEU A 67 2.175 -1.719 3.967 1.00 7.18 C ATOM 1065 CG LEU A 67 3.453 -1.806 3.109 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.342 -1.381 1.667 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.556 -0.947 3.777 1.00 11.66 C ATOM 0 H LEU A 67 2.960 -4.205 4.610 1.00 4.17 H new ATOM 0 HA LEU A 67 2.809 -1.711 6.135 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.361 -2.212 3.435 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.896 -0.671 4.075 1.00 7.18 H new ATOM 0 HG LEU A 67 3.681 -2.871 3.072 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.311 -1.492 1.179 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.607 -2.005 1.159 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.028 -0.338 1.618 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.468 -0.998 3.182 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.222 0.089 3.841 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.756 -1.326 4.779 1.00 11.66 H new ATOM 1079 N HIS A 68 0.097 -1.658 6.374 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.229 -1.900 6.899 1.00 4.17 C ATOM 1081 C HIS A 68 -2.255 -1.111 6.069 1.00 5.32 C ATOM 1082 O HIS A 68 -2.092 0.092 5.855 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.376 -1.456 8.356 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.089 -1.709 9.153 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.909 -0.805 9.346 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.370 -2.917 9.635 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.896 -1.394 10.056 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.609 -2.677 10.227 1.00 16.30 N ATOM 0 H HIS A 68 0.389 -0.681 6.412 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.399 -2.975 6.844 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.624 -0.395 8.391 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.204 -1.993 8.819 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.912 0.158 9.010 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.135 -3.869 9.567 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.781 -0.897 10.426 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.340 -1.776 5.601 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.314 -1.141 4.685 1.00 3.97 C ATOM 1098 C LEU A 69 -5.634 -0.768 5.387 1.00 5.07 C ATOM 1099 O LEU A 69 -6.225 -1.600 6.081 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.712 -2.204 3.589 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.611 -1.731 2.455 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.098 -0.483 1.673 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.903 -2.938 1.484 1.00 9.96 C ATOM 0 H LEU A 69 -3.560 -2.743 5.841 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.843 -0.242 4.288 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.795 -2.597 3.151 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.208 -3.035 4.089 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.533 -1.384 2.923 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.810 -0.228 0.888 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.996 0.359 2.358 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.129 -0.707 1.226 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.547 -2.603 0.671 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.964 -3.311 1.074 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.400 -3.736 2.035 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.114 0.452 5.209 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.393 0.817 5.739 1.00 6.26 C ATOM 1117 C VAL A 70 -8.155 1.267 4.539 1.00 9.22 C ATOM 1118 O VAL A 70 -7.696 2.012 3.641 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.329 2.040 6.753 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.675 2.489 7.168 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.553 1.632 8.031 1.00 8.54 C ATOM 0 H VAL A 70 -5.631 1.194 4.703 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.826 -0.019 6.289 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.826 2.854 6.231 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.582 3.326 7.860 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.240 2.805 6.291 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.197 1.668 7.659 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.515 2.477 8.719 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.059 0.795 8.512 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.539 1.337 7.762 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.378 0.727 4.380 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.266 1.119 3.325 1.00 16.06 C ATOM 1133 C LEU A 71 -11.221 2.239 3.714 1.00 18.09 C ATOM 1134 O LEU A 71 -11.880 2.175 4.741 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.100 -0.128 2.934 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.243 -1.256 2.341 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.062 -2.411 1.853 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.275 -0.871 1.243 1.00 19.57 C ATOM 0 H LEU A 71 -9.758 0.006 4.994 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.659 1.499 2.503 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.623 -0.500 3.815 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.861 0.162 2.210 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.639 -1.538 3.204 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.403 -3.177 1.445 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.633 -2.828 2.682 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.746 -2.069 1.076 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.731 -1.755 0.911 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.827 -0.447 0.404 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.569 -0.133 1.623 1.00 19.57 H new