USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -52:sc= 2.32 USER MOD Set 1.2: A 57 SER OG : rot -60:sc= 1.22 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 175:sc= 0.999 (180deg=0.983) USER MOD Set 3.1: A 7 THR OG1 : rot 129:sc= 0.742 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.69 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.264 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.3 (180deg=1.87) USER MOD Single : A 2 GLN : amide:sc= 0.745 K(o=0.74,f=-0.083) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.802 (180deg=0.575) USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.228 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.22 (180deg=-0.853) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00077 K(o=-0.00077,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 0.986 K(o=0.99,f=-3.1!) 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 59 TYR OH : rot 30:sc= 0.568 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 62 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.223 (180deg=-0.763) USER MOD Single : A 65 SER OG : rot 84:sc= 1.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.585 K(o=0.58,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.929 -7.119 -5.202 1.00 9.67 N ATOM 2 CA MET A 1 10.855 -7.292 -3.748 1.00 10.38 C ATOM 3 C MET A 1 9.459 -7.774 -3.375 1.00 9.62 C ATOM 4 O MET A 1 8.517 -7.219 -3.919 1.00 9.62 O ATOM 5 CB MET A 1 11.331 -6.053 -3.029 1.00 13.77 C ATOM 6 CG MET A 1 11.259 -6.127 -1.512 1.00 16.29 C ATOM 7 SD MET A 1 11.807 -4.476 -0.767 1.00 17.17 S ATOM 8 CE MET A 1 10.546 -3.336 -1.473 1.00 16.11 C ATOM 0 H1 MET A 1 11.925 -7.108 -5.500 1.00 9.67 H new ATOM 0 H2 MET A 1 10.436 -7.906 -5.671 1.00 9.67 H new ATOM 0 H3 MET A 1 10.478 -6.220 -5.468 1.00 9.67 H new ATOM 0 HA MET A 1 11.542 -8.068 -3.411 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.363 -5.855 -3.320 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.736 -5.204 -3.366 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.242 -6.359 -1.197 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.897 -6.932 -1.147 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.388 -2.501 -0.791 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.894 -2.958 -2.434 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.608 -3.873 -1.613 1.00 16.11 H new ATOM 20 N GLN A 2 9.382 -8.767 -2.555 1.00 9.27 N ATOM 21 CA GLN A 2 8.173 -9.115 -1.857 1.00 9.07 C ATOM 22 C GLN A 2 7.882 -8.174 -0.756 1.00 8.72 C ATOM 23 O GLN A 2 8.784 -7.833 -0.028 1.00 8.22 O ATOM 24 CB GLN A 2 8.172 -10.563 -1.275 1.00 14.46 C ATOM 25 CG GLN A 2 8.134 -11.713 -2.297 1.00 17.01 C ATOM 26 CD GLN A 2 6.675 -11.891 -2.775 1.00 20.10 C ATOM 27 OE1 GLN A 2 5.827 -12.554 -2.125 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.405 -11.412 -3.983 1.00 19.49 N ATOM 0 H GLN A 2 10.170 -9.378 -2.341 1.00 9.27 H new ATOM 0 HA GLN A 2 7.398 -9.056 -2.621 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.063 -10.684 -0.658 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.311 -10.665 -0.614 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.786 -11.491 -3.142 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.500 -12.635 -1.845 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.111 -10.877 -4.489 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.492 -11.579 -4.405 1.00 19.49 H new ATOM 37 N ILE A 3 6.605 -7.727 -0.560 1.00 5.87 N ATOM 38 CA ILE A 3 6.233 -6.892 0.599 1.00 5.07 C ATOM 39 C ILE A 3 4.958 -7.534 1.049 1.00 4.01 C ATOM 40 O ILE A 3 4.308 -8.220 0.289 1.00 4.61 O ATOM 41 CB ILE A 3 6.104 -5.327 0.250 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.169 -4.974 -0.927 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.504 -4.829 0.032 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.957 -3.458 -0.957 1.00 10.83 C ATOM 0 H ILE A 3 5.830 -7.935 -1.190 1.00 5.87 H new ATOM 0 HA ILE A 3 6.991 -6.868 1.381 1.00 5.07 H new ATOM 0 HB ILE A 3 5.612 -4.828 1.085 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.604 -5.312 -1.868 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.213 -5.486 -0.815 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.479 -3.766 -0.210 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.090 -4.981 0.939 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.961 -5.378 -0.792 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.298 -3.199 -1.785 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.505 -3.135 -0.019 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.917 -2.959 -1.088 1.00 10.83 H new ATOM 56 N PHE A 4 4.531 -7.277 2.326 1.00 4.55 N ATOM 57 CA PHE A 4 3.358 -7.887 2.842 1.00 4.68 C ATOM 58 C PHE A 4 2.409 -6.765 3.217 1.00 5.30 C ATOM 59 O PHE A 4 2.792 -5.635 3.481 1.00 5.58 O ATOM 60 CB PHE A 4 3.629 -8.629 4.222 1.00 4.83 C ATOM 61 CG PHE A 4 4.013 -10.116 4.095 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.176 -10.495 3.454 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.012 -11.135 4.331 1.00 6.69 C ATOM 64 CE1 PHE A 4 5.535 -11.845 3.299 1.00 10.61 C ATOM 65 CE2 PHE A 4 3.385 -12.505 4.144 1.00 9.10 C ATOM 66 CZ PHE A 4 4.635 -12.829 3.675 1.00 8.90 C ATOM 0 H PHE A 4 5.007 -6.651 2.976 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.587 2.093 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.428 -8.106 4.748 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.735 -8.551 4.841 1.00 4.83 H new ATOM 0 HD1 PHE A 4 5.830 -9.731 3.060 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.012 -10.869 4.640 1.00 6.69 H new ATOM 0 HE1 PHE A 4 6.499 -12.112 2.892 1.00 10.61 H new ATOM 0 HE2 PHE A 4 2.679 -13.289 4.373 1.00 9.10 H new ATOM 0 HZ PHE A 4 4.921 -13.868 3.598 1.00 8.90 H new ATOM 76 N VAL A 5 1.105 -7.004 3.038 1.00 4.44 N ATOM 77 CA VAL A 5 0.056 -6.020 3.142 1.00 3.87 C ATOM 78 C VAL A 5 -1.058 -6.622 3.915 1.00 4.93 C ATOM 79 O VAL A 5 -1.625 -7.634 3.557 1.00 6.84 O ATOM 80 CB VAL A 5 -0.381 -5.457 1.751 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.388 -4.318 1.969 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.830 -4.814 0.997 1.00 9.13 C ATOM 0 H VAL A 5 0.751 -7.933 2.807 1.00 4.44 H new ATOM 0 HA VAL A 5 0.422 -5.142 3.674 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.797 -6.285 1.176 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.699 -3.918 1.004 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.259 -4.699 2.502 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.921 -3.527 2.556 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.496 -4.431 0.033 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.236 -3.996 1.592 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.603 -5.567 0.841 1.00 9.13 H new ATOM 92 N LYS A 6 -1.407 -5.921 5.080 1.00 6.04 N ATOM 93 CA LYS A 6 -2.337 -6.377 6.057 1.00 6.12 C ATOM 94 C LYS A 6 -3.443 -5.422 6.321 1.00 6.57 C ATOM 95 O LYS A 6 -3.211 -4.284 6.607 1.00 5.76 O ATOM 96 CB LYS A 6 -1.713 -6.856 7.394 1.00 7.45 C ATOM 97 CG LYS A 6 -2.674 -7.680 8.214 1.00 11.12 C ATOM 98 CD LYS A 6 -1.896 -8.607 9.187 1.00 14.54 C ATOM 99 CE LYS A 6 -1.306 -7.869 10.366 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.157 -8.507 10.974 1.00 20.55 N ATOM 0 H LYS A 6 -1.005 -5.012 5.309 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.757 -7.262 5.579 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.820 -7.445 7.185 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.394 -5.990 7.974 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.337 -7.024 8.778 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.303 -8.279 7.556 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.567 -9.385 9.552 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.095 -9.106 8.641 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.018 -6.869 10.042 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.080 -7.749 11.124 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.178 -7.930 11.772 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.426 -9.451 11.318 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.603 -8.598 10.270 1.00 20.55 H new ATOM 114 N THR A 7 -4.640 -5.952 6.232 1.00 7.41 N ATOM 115 CA THR A 7 -5.866 -5.212 6.460 1.00 7.48 C ATOM 116 C THR A 7 -6.194 -5.004 7.913 1.00 8.75 C ATOM 117 O THR A 7 -5.472 -5.445 8.808 1.00 8.58 O ATOM 118 CB THR A 7 -7.131 -5.690 5.681 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.344 -7.030 6.002 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.781 -5.408 4.216 1.00 9.17 C ATOM 0 H THR A 7 -4.796 -6.932 5.994 1.00 7.41 H new ATOM 0 HA THR A 7 -5.606 -4.249 6.020 1.00 7.48 H new ATOM 0 HB THR A 7 -8.070 -5.191 5.921 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.276 -7.156 6.276 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.612 -5.711 3.579 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.593 -4.342 4.085 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.889 -5.970 3.940 1.00 9.17 H new ATOM 128 N LEU A 8 -7.290 -4.296 8.142 1.00 9.84 N ATOM 129 CA LEU A 8 -7.913 -4.094 9.426 1.00 14.15 C ATOM 130 C LEU A 8 -8.569 -5.435 9.940 1.00 17.37 C ATOM 131 O LEU A 8 -8.500 -5.834 11.103 1.00 17.01 O ATOM 132 CB LEU A 8 -8.921 -2.893 9.432 1.00 16.63 C ATOM 133 CG LEU A 8 -9.504 -2.636 10.841 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.523 -1.922 11.765 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.781 -1.833 10.564 1.00 18.59 C ATOM 0 H LEU A 8 -7.791 -3.824 7.389 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.129 -3.814 10.129 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.416 -1.994 9.078 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.733 -3.098 8.735 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.714 -3.558 11.384 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.987 -1.769 12.739 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.625 -2.529 11.882 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.255 -0.957 11.335 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.275 -1.598 11.507 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.524 -0.908 10.048 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.453 -2.422 9.940 1.00 18.59 H new ATOM 147 N THR A 9 -9.208 -6.204 9.019 1.00 18.33 N ATOM 148 CA THR A 9 -9.785 -7.549 9.286 1.00 19.24 C ATOM 149 C THR A 9 -8.625 -8.557 9.429 1.00 19.48 C ATOM 150 O THR A 9 -8.803 -9.755 9.710 1.00 23.14 O ATOM 151 CB THR A 9 -10.697 -7.949 8.045 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.055 -7.674 6.800 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.025 -7.176 8.084 1.00 19.70 C ATOM 0 H THR A 9 -9.339 -5.901 8.054 1.00 18.33 H new ATOM 0 HA THR A 9 -10.381 -7.549 10.199 1.00 19.24 H new ATOM 0 HB THR A 9 -10.877 -9.021 8.121 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.646 -7.935 6.063 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.637 -7.461 7.228 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.557 -7.413 9.006 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.824 -6.105 8.046 1.00 19.70 H new ATOM 161 N GLY A 10 -7.340 -8.100 9.233 1.00 19.43 N ATOM 162 CA GLY A 10 -6.090 -8.855 9.326 1.00 18.74 C ATOM 163 C GLY A 10 -5.694 -9.840 8.285 1.00 17.62 C ATOM 164 O GLY A 10 -4.693 -10.550 8.497 1.00 19.74 O ATOM 0 H GLY A 10 -7.167 -7.124 8.990 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.284 -8.124 9.393 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.114 -9.391 10.275 1.00 18.74 H new ATOM 168 N LYS A 11 -6.351 -10.000 7.139 1.00 13.56 N ATOM 169 CA LYS A 11 -5.871 -10.781 6.023 1.00 11.91 C ATOM 170 C LYS A 11 -4.463 -10.375 5.487 1.00 10.18 C ATOM 171 O LYS A 11 -4.179 -9.286 5.064 1.00 9.10 O ATOM 172 CB LYS A 11 -6.788 -10.688 4.877 1.00 13.43 C ATOM 173 CG LYS A 11 -6.336 -11.504 3.697 1.00 16.69 C ATOM 174 CD LYS A 11 -7.422 -11.607 2.602 1.00 17.92 C ATOM 175 CE LYS A 11 -6.909 -12.286 1.371 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.998 -12.322 0.359 1.00 21.93 N ATOM 0 H LYS A 11 -7.260 -9.572 6.965 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.809 -11.790 6.432 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.780 -11.021 5.184 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.881 -9.644 4.576 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.437 -11.057 3.273 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.066 -12.505 4.033 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.279 -12.158 2.991 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.775 -10.608 2.346 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.044 -11.752 0.977 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.579 -13.298 1.607 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.632 -12.715 -0.532 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.775 -12.919 0.707 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.350 -11.357 0.193 1.00 21.93 H new ATOM 190 N THR A 12 -3.523 -11.343 5.538 1.00 9.63 N ATOM 191 CA THR A 12 -2.115 -11.148 5.158 1.00 9.85 C ATOM 192 C THR A 12 -2.016 -11.382 3.651 1.00 11.66 C ATOM 193 O THR A 12 -2.281 -12.461 3.186 1.00 12.33 O ATOM 194 CB THR A 12 -1.127 -12.048 5.926 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.447 -13.432 5.803 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.206 -11.805 7.435 1.00 9.63 C ATOM 0 H THR A 12 -3.728 -12.293 5.849 1.00 9.63 H new ATOM 0 HA THR A 12 -1.822 -10.133 5.426 1.00 9.85 H new ATOM 0 HB THR A 12 -0.153 -11.806 5.500 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.944 -13.580 4.971 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.496 -12.456 7.946 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.963 -10.764 7.649 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.215 -12.022 7.786 1.00 9.63 H new ATOM 204 N ILE A 13 -1.554 -10.371 2.853 1.00 10.42 N ATOM 205 CA ILE A 13 -1.394 -10.633 1.463 1.00 11.84 C ATOM 206 C ILE A 13 0.044 -10.346 1.107 1.00 10.55 C ATOM 207 O ILE A 13 0.691 -9.505 1.730 1.00 11.92 O ATOM 208 CB ILE A 13 -2.388 -9.943 0.508 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.208 -8.398 0.478 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.840 -10.395 0.784 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.834 -7.806 -0.787 1.00 16.46 C ATOM 0 H ILE A 13 -1.309 -9.431 3.164 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.644 -11.683 1.308 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.155 -10.272 -0.505 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.671 -7.956 1.360 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.147 -8.149 0.516 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.516 -9.890 0.094 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.918 -11.473 0.645 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.112 -10.141 1.809 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.697 -6.725 -0.789 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.352 -8.234 -1.666 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.899 -8.037 -0.808 1.00 16.46 H new ATOM 223 N THR A 14 0.613 -11.010 0.049 1.00 9.39 N ATOM 224 CA THR A 14 1.921 -10.573 -0.495 1.00 9.63 C ATOM 225 C THR A 14 1.764 -9.753 -1.802 1.00 11.20 C ATOM 226 O THR A 14 0.809 -9.866 -2.549 1.00 11.63 O ATOM 227 CB THR A 14 2.778 -11.766 -0.889 1.00 10.38 C ATOM 228 OG1 THR A 14 2.080 -12.724 -1.703 1.00 16.30 O ATOM 229 CG2 THR A 14 3.242 -12.555 0.332 1.00 11.66 C ATOM 0 H THR A 14 0.198 -11.815 -0.420 1.00 9.39 H new ATOM 0 HA THR A 14 2.374 -9.979 0.298 1.00 9.63 H new ATOM 0 HB THR A 14 3.608 -11.322 -1.438 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.682 -13.465 -1.925 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.851 -13.399 0.010 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.833 -11.908 0.981 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.374 -12.922 0.879 1.00 11.66 H new ATOM 237 N LEU A 15 2.710 -8.855 -2.003 1.00 8.29 N ATOM 238 CA LEU A 15 2.851 -8.124 -3.246 1.00 9.03 C ATOM 239 C LEU A 15 4.260 -8.217 -3.713 1.00 8.59 C ATOM 240 O LEU A 15 5.187 -8.297 -2.928 1.00 7.79 O ATOM 241 CB LEU A 15 2.593 -6.640 -3.253 1.00 11.08 C ATOM 242 CG LEU A 15 1.255 -6.163 -2.703 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.104 -4.648 -2.664 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.010 -6.769 -3.439 1.00 15.27 C ATOM 0 H LEU A 15 3.408 -8.611 -1.301 1.00 8.29 H new ATOM 0 HA LEU A 15 2.082 -8.598 -3.857 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.385 -6.157 -2.681 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.681 -6.287 -4.280 1.00 11.08 H new ATOM 0 HG LEU A 15 1.274 -6.538 -1.680 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.125 -4.390 -2.260 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.882 -4.221 -2.031 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.197 -4.247 -3.673 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.904 -6.381 -2.989 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.041 -6.493 -4.493 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.026 -7.855 -3.347 1.00 15.27 H new ATOM 256 N GLU A 16 4.482 -8.181 -5.015 1.00 11.04 N ATOM 257 CA GLU A 16 5.795 -8.100 -5.666 1.00 11.50 C ATOM 258 C GLU A 16 5.915 -6.776 -6.331 1.00 10.13 C ATOM 259 O GLU A 16 5.245 -6.486 -7.252 1.00 9.83 O ATOM 260 CB GLU A 16 5.891 -9.170 -6.727 1.00 17.22 C ATOM 261 CG GLU A 16 7.209 -9.166 -7.472 1.00 23.33 C ATOM 262 CD GLU A 16 8.427 -9.344 -6.562 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.476 -10.314 -5.712 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.423 -8.586 -6.674 1.00 28.90 O ATOM 0 H GLU A 16 3.717 -8.208 -5.689 1.00 11.04 H new ATOM 0 HA GLU A 16 6.583 -8.233 -4.924 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.749 -10.145 -6.262 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.079 -9.036 -7.441 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.200 -9.965 -8.214 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.307 -8.227 -8.016 1.00 23.33 H new ATOM 271 N VAL A 17 6.862 -5.915 -5.839 1.00 8.99 N ATOM 272 CA VAL A 17 7.010 -4.491 -6.311 1.00 8.85 C ATOM 273 C VAL A 17 8.487 -4.234 -6.365 1.00 8.04 C ATOM 274 O VAL A 17 9.292 -5.010 -5.834 1.00 8.99 O ATOM 275 CB VAL A 17 6.460 -3.575 -5.220 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.984 -3.566 -5.296 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.108 -3.937 -3.823 1.00 10.54 C ATOM 0 H VAL A 17 7.534 -6.179 -5.118 1.00 8.99 H new ATOM 0 HA VAL A 17 6.505 -4.325 -7.263 1.00 8.85 H new ATOM 0 HB VAL A 17 6.749 -2.535 -5.368 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.584 -2.914 -4.520 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.672 -3.200 -6.274 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.606 -4.578 -5.150 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.707 -3.277 -3.054 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.874 -4.971 -3.571 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.189 -3.813 -3.880 1.00 10.54 H new ATOM 287 N GLU A 18 8.919 -3.208 -7.073 1.00 7.29 N ATOM 288 CA GLU A 18 10.340 -2.819 -6.934 1.00 7.08 C ATOM 289 C GLU A 18 10.581 -1.771 -5.911 1.00 6.45 C ATOM 290 O GLU A 18 9.628 -1.081 -5.656 1.00 5.28 O ATOM 291 CB GLU A 18 10.841 -2.240 -8.335 1.00 10.28 C ATOM 292 CG GLU A 18 10.674 -3.288 -9.511 1.00 12.65 C ATOM 293 CD GLU A 18 11.340 -4.623 -9.251 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.569 -4.577 -8.939 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.757 -5.729 -9.328 1.00 14.33 O ATOM 0 H GLU A 18 8.360 -2.648 -7.717 1.00 7.29 H new ATOM 0 HA GLU A 18 10.878 -3.714 -6.621 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.280 -1.336 -8.574 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.889 -1.952 -8.253 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.611 -3.453 -9.688 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.086 -2.861 -10.425 1.00 12.65 H new ATOM 302 N PRO A 19 11.716 -1.503 -5.302 1.00 7.24 N ATOM 303 CA PRO A 19 11.830 -0.344 -4.435 1.00 7.07 C ATOM 304 C PRO A 19 11.792 1.072 -5.079 1.00 6.65 C ATOM 305 O PRO A 19 11.560 2.046 -4.380 1.00 6.37 O ATOM 306 CB PRO A 19 13.278 -0.516 -3.902 1.00 7.61 C ATOM 307 CG PRO A 19 13.976 -1.341 -4.978 1.00 8.16 C ATOM 308 CD PRO A 19 12.915 -2.390 -5.245 1.00 7.49 C ATOM 0 HA PRO A 19 10.981 -0.345 -3.752 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.767 0.448 -3.759 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.290 -1.026 -2.939 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.211 -0.753 -5.865 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.911 -1.776 -4.626 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.083 -2.931 -6.176 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.850 -3.134 -4.451 1.00 7.49 H new ATOM 316 N SER A 20 11.814 1.172 -6.389 1.00 6.80 N ATOM 317 CA SER A 20 11.755 2.396 -7.156 1.00 6.28 C ATOM 318 C SER A 20 10.339 2.586 -7.691 1.00 8.45 C ATOM 319 O SER A 20 10.098 3.502 -8.483 1.00 7.26 O ATOM 320 CB SER A 20 12.722 2.331 -8.369 1.00 8.57 C ATOM 321 OG SER A 20 12.655 1.040 -9.004 1.00 11.13 O ATOM 0 H SER A 20 11.878 0.347 -6.985 1.00 6.80 H new ATOM 0 HA SER A 20 12.041 3.222 -6.505 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.465 3.109 -9.088 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.742 2.527 -8.038 1.00 8.57 H new ATOM 0 HG SER A 20 13.270 1.018 -9.767 1.00 11.13 H new ATOM 327 N ASP A 21 9.389 1.700 -7.351 1.00 7.50 N ATOM 328 CA ASP A 21 7.975 1.891 -7.593 1.00 7.70 C ATOM 329 C ASP A 21 7.386 2.970 -6.660 1.00 7.08 C ATOM 330 O ASP A 21 7.533 2.942 -5.432 1.00 8.11 O ATOM 331 CB ASP A 21 7.119 0.604 -7.537 1.00 11.00 C ATOM 332 CG ASP A 21 7.492 -0.304 -8.714 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.003 0.194 -9.765 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.237 -1.559 -8.661 1.00 18.03 O ATOM 0 H ASP A 21 9.602 0.815 -6.890 1.00 7.50 H new ATOM 0 HA ASP A 21 7.921 2.230 -8.627 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.286 0.083 -6.594 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.059 0.856 -7.579 1.00 11.00 H new ATOM 339 N THR A 22 6.588 3.893 -7.266 1.00 5.37 N ATOM 340 CA THR A 22 5.694 4.820 -6.594 1.00 6.01 C ATOM 341 C THR A 22 4.599 4.160 -5.838 1.00 8.01 C ATOM 342 O THR A 22 4.145 3.123 -6.229 1.00 8.11 O ATOM 343 CB THR A 22 5.020 5.978 -7.375 1.00 8.92 C ATOM 344 OG1 THR A 22 4.065 5.612 -8.356 1.00 10.22 O ATOM 345 CG2 THR A 22 6.083 6.793 -8.055 1.00 9.65 C ATOM 0 H THR A 22 6.565 3.999 -8.280 1.00 5.37 H new ATOM 0 HA THR A 22 6.457 5.281 -5.967 1.00 6.01 H new ATOM 0 HB THR A 22 4.464 6.526 -6.614 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.707 6.419 -8.781 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.618 7.610 -8.607 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.763 7.201 -7.307 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.641 6.160 -8.745 1.00 9.65 H new ATOM 353 N ILE A 23 4.061 4.787 -4.764 1.00 8.32 N ATOM 354 CA ILE A 23 2.963 4.320 -3.980 1.00 9.92 C ATOM 355 C ILE A 23 1.646 4.218 -4.804 1.00 10.01 C ATOM 356 O ILE A 23 0.814 3.352 -4.599 1.00 8.71 O ATOM 357 CB ILE A 23 2.690 5.236 -2.838 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.899 5.314 -1.787 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.277 5.014 -2.170 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.314 4.011 -1.108 1.00 12.30 C ATOM 0 H ILE A 23 4.424 5.679 -4.428 1.00 8.32 H new ATOM 0 HA ILE A 23 3.257 3.331 -3.628 1.00 9.92 H new ATOM 0 HB ILE A 23 2.631 6.232 -3.277 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.770 5.719 -2.302 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.627 6.029 -1.010 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.149 5.717 -1.346 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.495 5.178 -2.911 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.210 3.994 -1.791 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.140 4.204 -0.424 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.469 3.605 -0.552 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.630 3.292 -1.863 1.00 12.30 H new ATOM 372 N GLU A 24 1.359 5.135 -5.782 1.00 9.54 N ATOM 373 CA GLU A 24 0.286 5.034 -6.734 1.00 11.81 C ATOM 374 C GLU A 24 0.194 3.697 -7.449 1.00 11.14 C ATOM 375 O GLU A 24 -0.812 3.062 -7.692 1.00 10.62 O ATOM 376 CB GLU A 24 0.394 6.095 -7.817 1.00 19.24 C ATOM 377 CG GLU A 24 -0.903 6.174 -8.703 1.00 27.76 C ATOM 378 CD GLU A 24 -0.745 7.221 -9.707 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.033 8.405 -9.365 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.341 6.913 -10.841 1.00 34.80 O ATOM 0 H GLU A 24 1.911 5.984 -5.904 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.605 5.166 -6.120 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.576 7.066 -7.355 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.253 5.878 -8.452 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.084 5.215 -9.188 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.771 6.383 -8.078 1.00 27.76 H new ATOM 387 N ASN A 25 1.372 3.067 -7.728 1.00 9.43 N ATOM 388 CA ASN A 25 1.452 1.868 -8.519 1.00 10.96 C ATOM 389 C ASN A 25 1.286 0.600 -7.669 1.00 9.68 C ATOM 390 O ASN A 25 0.993 -0.527 -8.113 1.00 9.33 O ATOM 391 CB ASN A 25 2.745 1.905 -9.389 1.00 16.78 C ATOM 392 CG ASN A 25 2.465 2.822 -10.627 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.895 3.882 -10.533 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.784 2.332 -11.839 1.00 24.70 N ATOM 0 H ASN A 25 2.277 3.401 -7.396 1.00 9.43 H new ATOM 0 HA ASN A 25 0.609 1.828 -9.209 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.584 2.291 -8.810 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.017 0.900 -9.712 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.544 2.856 -12.680 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.266 1.436 -11.916 1.00 24.70 H new ATOM 401 N VAL A 26 1.505 0.715 -6.342 1.00 6.52 N ATOM 402 CA VAL A 26 1.384 -0.327 -5.373 1.00 5.53 C ATOM 403 C VAL A 26 -0.086 -0.520 -5.009 1.00 4.42 C ATOM 404 O VAL A 26 -0.552 -1.620 -4.712 1.00 3.40 O ATOM 405 CB VAL A 26 2.190 -0.079 -4.171 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.092 -1.157 -3.096 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.692 0.148 -4.607 1.00 8.12 C ATOM 0 H VAL A 26 1.786 1.601 -5.922 1.00 6.52 H new ATOM 0 HA VAL A 26 1.774 -1.241 -5.821 1.00 5.53 H new ATOM 0 HB VAL A 26 1.779 0.812 -3.696 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.722 -0.884 -2.249 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.057 -1.248 -2.765 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.427 -2.110 -3.505 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.303 0.334 -3.724 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.059 -0.739 -5.123 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.751 1.007 -5.276 1.00 8.12 H new ATOM 417 N LYS A 27 -0.856 0.578 -5.073 1.00 2.64 N ATOM 418 CA LYS A 27 -2.329 0.589 -4.997 1.00 4.14 C ATOM 419 C LYS A 27 -2.858 -0.294 -6.170 1.00 5.58 C ATOM 420 O LYS A 27 -3.774 -1.085 -6.021 1.00 4.11 O ATOM 421 CB LYS A 27 -2.929 1.995 -4.828 1.00 3.97 C ATOM 422 CG LYS A 27 -2.522 2.715 -3.497 1.00 7.45 C ATOM 423 CD LYS A 27 -3.361 3.973 -3.090 1.00 9.02 C ATOM 424 CE LYS A 27 -3.132 5.154 -4.091 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.951 6.356 -3.781 1.00 15.47 N ATOM 0 H LYS A 27 -0.460 1.512 -5.182 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.688 0.135 -4.073 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.619 2.613 -5.671 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.016 1.921 -4.869 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.583 1.989 -2.686 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.477 3.015 -3.579 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.420 3.715 -3.064 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.085 4.287 -2.083 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.077 5.429 -4.082 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.364 4.815 -5.101 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.470 6.651 -4.632 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.628 6.129 -3.024 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.329 7.129 -3.469 1.00 15.47 H new ATOM 439 N ALA A 28 -2.304 -0.202 -7.343 1.00 6.61 N ATOM 440 CA ALA A 28 -2.664 -1.075 -8.446 1.00 7.74 C ATOM 441 C ALA A 28 -2.386 -2.488 -8.257 1.00 9.17 C ATOM 442 O ALA A 28 -3.220 -3.344 -8.548 1.00 11.45 O ATOM 443 CB ALA A 28 -2.067 -0.692 -9.775 1.00 7.68 C ATOM 0 H ALA A 28 -1.584 0.482 -7.573 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.743 -0.923 -8.456 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.391 -1.400 -10.537 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.398 0.310 -10.047 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.979 -0.708 -9.704 1.00 7.68 H new ATOM 449 N LYS A 29 -1.195 -2.860 -7.745 1.00 8.96 N ATOM 450 CA LYS A 29 -0.839 -4.223 -7.455 1.00 7.90 C ATOM 451 C LYS A 29 -1.737 -4.865 -6.362 1.00 6.92 C ATOM 452 O LYS A 29 -2.182 -6.000 -6.418 1.00 6.87 O ATOM 453 CB LYS A 29 0.634 -4.399 -6.964 1.00 10.28 C ATOM 454 CG LYS A 29 1.281 -5.771 -7.267 1.00 14.94 C ATOM 455 CD LYS A 29 1.558 -6.096 -8.714 1.00 19.69 C ATOM 456 CE LYS A 29 2.049 -7.491 -8.964 1.00 22.63 C ATOM 457 NZ LYS A 29 2.085 -7.884 -10.354 1.00 24.98 N ATOM 0 H LYS A 29 -0.455 -2.193 -7.525 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.977 -4.719 -8.416 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.245 -3.621 -7.420 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.661 -4.235 -5.887 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.223 -5.829 -6.721 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.631 -6.548 -6.864 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.645 -5.939 -9.288 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.298 -5.392 -9.094 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.052 -7.587 -8.548 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.411 -8.188 -8.421 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.436 -8.860 -10.430 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.127 -7.829 -10.755 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.718 -7.247 -10.879 1.00 24.98 H new ATOM 471 N ILE A 30 -2.209 -4.014 -5.366 1.00 4.57 N ATOM 472 CA ILE A 30 -3.221 -4.561 -4.366 1.00 5.58 C ATOM 473 C ILE A 30 -4.569 -4.843 -5.055 1.00 7.26 C ATOM 474 O ILE A 30 -5.249 -5.854 -4.736 1.00 9.46 O ATOM 475 CB ILE A 30 -3.404 -3.587 -3.195 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.091 -3.468 -2.393 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.531 -4.092 -2.211 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.059 -2.378 -1.273 1.00 2.00 C ATOM 0 H ILE A 30 -1.937 -3.039 -5.239 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.837 -5.502 -3.971 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.686 -2.621 -3.613 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.881 -4.435 -1.935 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.280 -3.264 -3.092 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.641 -3.384 -1.390 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.475 -4.172 -2.750 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.256 -5.069 -1.813 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.087 -2.390 -0.781 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.229 -1.397 -1.716 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.839 -2.586 -0.541 1.00 2.00 H new ATOM 490 N GLN A 31 -5.009 -3.915 -5.960 1.00 7.06 N ATOM 491 CA GLN A 31 -6.284 -4.051 -6.617 1.00 8.67 C ATOM 492 C GLN A 31 -6.366 -5.373 -7.447 1.00 10.90 C ATOM 493 O GLN A 31 -7.426 -6.008 -7.463 1.00 9.63 O ATOM 494 CB GLN A 31 -6.483 -2.828 -7.595 1.00 9.12 C ATOM 495 CG GLN A 31 -7.867 -2.790 -8.269 1.00 10.76 C ATOM 496 CD GLN A 31 -7.960 -1.784 -9.456 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.925 -1.237 -9.869 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.213 -1.537 -9.892 1.00 14.76 N ATOM 0 H GLN A 31 -4.482 -3.084 -6.228 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.061 -4.077 -5.853 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.334 -1.902 -7.039 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.714 -2.863 -8.367 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.112 -3.788 -8.631 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.617 -2.528 -7.523 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.002 -2.041 -9.488 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.371 -0.846 -10.626 1.00 14.76 H new ATOM 507 N ASP A 32 -5.301 -5.816 -8.095 1.00 10.93 N ATOM 508 CA ASP A 32 -5.233 -7.071 -8.819 1.00 14.01 C ATOM 509 C ASP A 32 -5.436 -8.282 -7.885 1.00 14.04 C ATOM 510 O ASP A 32 -6.140 -9.226 -8.116 1.00 13.39 O ATOM 511 CB ASP A 32 -3.969 -7.172 -9.599 1.00 18.01 C ATOM 512 CG ASP A 32 -3.887 -8.366 -10.509 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.736 -8.596 -11.382 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.972 -9.162 -10.289 1.00 26.29 O ATOM 0 H ASP A 32 -4.428 -5.290 -8.131 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.057 -7.086 -9.532 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.853 -6.268 -10.197 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.130 -7.204 -8.904 1.00 18.01 H new ATOM 519 N LYS A 33 -4.752 -8.282 -6.692 1.00 14.22 N ATOM 520 CA LYS A 33 -4.904 -9.343 -5.747 1.00 14.00 C ATOM 521 C LYS A 33 -6.284 -9.359 -4.906 1.00 12.37 C ATOM 522 O LYS A 33 -6.880 -10.395 -4.735 1.00 12.17 O ATOM 523 CB LYS A 33 -3.708 -9.280 -4.712 1.00 18.62 C ATOM 524 CG LYS A 33 -3.668 -10.462 -3.736 1.00 24.00 C ATOM 525 CD LYS A 33 -2.298 -10.933 -3.239 1.00 27.61 C ATOM 526 CE LYS A 33 -1.332 -11.494 -4.291 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.174 -12.214 -3.739 1.00 30.06 N ATOM 0 H LYS A 33 -4.106 -7.547 -6.403 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.913 -10.251 -6.350 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.767 -9.243 -5.261 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.782 -8.354 -4.142 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.267 -10.197 -2.865 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.159 -11.309 -4.215 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.810 -10.093 -2.744 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.458 -11.701 -2.482 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.882 -12.168 -4.948 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.971 -10.672 -4.908 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.378 -12.630 -4.516 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.424 -11.552 -3.205 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.505 -12.970 -3.106 1.00 30.06 H new ATOM 541 N GLU A 34 -6.752 -8.187 -4.399 1.00 10.11 N ATOM 542 CA GLU A 34 -7.894 -8.141 -3.499 1.00 10.07 C ATOM 543 C GLU A 34 -9.093 -7.372 -4.054 1.00 9.32 C ATOM 544 O GLU A 34 -10.126 -7.394 -3.422 1.00 11.61 O ATOM 545 CB GLU A 34 -7.511 -7.443 -2.200 1.00 14.77 C ATOM 546 CG GLU A 34 -6.574 -8.286 -1.342 1.00 18.75 C ATOM 547 CD GLU A 34 -7.141 -9.595 -0.991 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.984 -9.593 -0.041 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.772 -10.665 -1.617 1.00 21.95 O ATOM 0 H GLU A 34 -6.345 -7.275 -4.608 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.177 -9.184 -3.354 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.032 -6.491 -2.430 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.414 -7.216 -1.633 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.635 -8.434 -1.876 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.338 -7.741 -0.428 1.00 18.75 H new ATOM 556 N GLY A 35 -8.992 -6.805 -5.274 1.00 7.22 N ATOM 557 CA GLY A 35 -10.207 -6.248 -5.923 1.00 6.29 C ATOM 558 C GLY A 35 -10.609 -4.906 -5.422 1.00 6.93 C ATOM 559 O GLY A 35 -11.805 -4.549 -5.564 1.00 7.41 O ATOM 0 H GLY A 35 -8.129 -6.720 -5.812 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.034 -6.185 -6.997 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.035 -6.941 -5.774 1.00 6.29 H new ATOM 563 N ILE A 36 -9.732 -4.153 -4.742 1.00 5.86 N ATOM 564 CA ILE A 36 -10.061 -2.918 -4.092 1.00 6.07 C ATOM 565 C ILE A 36 -9.527 -1.888 -5.001 1.00 6.36 C ATOM 566 O ILE A 36 -8.310 -1.739 -5.096 1.00 6.18 O ATOM 567 CB ILE A 36 -9.453 -2.774 -2.664 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.914 -3.963 -1.830 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.938 -1.370 -2.051 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.287 -4.000 -0.388 1.00 9.49 C ATOM 0 H ILE A 36 -8.751 -4.412 -4.638 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.135 -2.841 -3.924 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.363 -2.775 -2.678 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.000 -3.937 -1.744 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.657 -4.884 -2.353 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.524 -1.247 -1.050 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.593 -0.556 -2.689 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.027 -1.353 -1.998 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.660 -4.873 0.148 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.201 -4.058 -0.465 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.565 -3.095 0.153 1.00 9.49 H new ATOM 582 N PRO A 37 -10.319 -0.977 -5.633 1.00 8.65 N ATOM 583 CA PRO A 37 -9.801 0.194 -6.341 1.00 9.18 C ATOM 584 C PRO A 37 -8.749 1.022 -5.628 1.00 9.85 C ATOM 585 O PRO A 37 -8.859 1.211 -4.435 1.00 8.51 O ATOM 586 CB PRO A 37 -11.063 0.987 -6.704 1.00 11.42 C ATOM 587 CG PRO A 37 -12.109 -0.041 -6.846 1.00 9.27 C ATOM 588 CD PRO A 37 -11.764 -1.048 -5.765 1.00 8.33 C ATOM 0 HA PRO A 37 -9.218 -0.123 -7.206 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.317 1.708 -5.927 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.928 1.548 -7.629 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.105 0.377 -6.702 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.094 -0.495 -7.837 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.259 -0.803 -4.825 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.086 -2.052 -6.043 1.00 8.33 H new ATOM 596 N PRO A 38 -7.795 1.782 -6.317 1.00 8.71 N ATOM 597 CA PRO A 38 -6.773 2.513 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.274 3.764 -5.038 1.00 9.28 C ATOM 599 O PRO A 38 -6.660 4.268 -4.097 1.00 6.50 O ATOM 600 CB PRO A 38 -5.744 2.907 -6.835 1.00 10.31 C ATOM 601 CG PRO A 38 -6.615 2.881 -8.097 1.00 10.81 C ATOM 602 CD PRO A 38 -7.640 1.761 -7.783 1.00 12.00 C ATOM 0 HA PRO A 38 -6.322 1.901 -4.921 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.308 3.891 -6.663 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.918 2.199 -6.897 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.104 3.840 -8.271 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.029 2.655 -8.988 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.591 1.946 -8.283 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.282 0.791 -8.128 1.00 12.00 H new ATOM 610 N ASP A 39 -8.414 4.230 -5.309 1.00 11.20 N ATOM 611 CA ASP A 39 -9.155 5.352 -4.717 1.00 14.96 C ATOM 612 C ASP A 39 -10.237 4.957 -3.733 1.00 13.99 C ATOM 613 O ASP A 39 -10.938 5.770 -3.194 1.00 13.75 O ATOM 614 CB ASP A 39 -9.776 6.169 -5.806 1.00 24.16 C ATOM 615 CG ASP A 39 -8.744 6.901 -6.638 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.901 7.620 -6.011 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.707 6.720 -7.898 1.00 34.22 O ATOM 0 H ASP A 39 -8.964 3.801 -6.053 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.417 5.917 -4.148 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.366 5.519 -6.453 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.464 6.892 -5.367 1.00 24.16 H new ATOM 622 N GLN A 40 -10.129 3.640 -3.289 1.00 11.60 N ATOM 623 CA GLN A 40 -10.890 3.012 -2.269 1.00 10.76 C ATOM 624 C GLN A 40 -9.893 2.411 -1.244 1.00 8.01 C ATOM 625 O GLN A 40 -10.250 1.771 -0.278 1.00 8.96 O ATOM 626 CB GLN A 40 -11.785 1.915 -2.838 1.00 11.14 C ATOM 627 CG GLN A 40 -13.046 1.593 -1.937 1.00 14.85 C ATOM 628 CD GLN A 40 -13.851 0.486 -2.530 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.700 -0.695 -2.271 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.659 0.820 -3.495 1.00 18.16 N ATOM 0 H GLN A 40 -9.448 3.001 -3.699 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.543 3.744 -1.794 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.125 2.213 -3.830 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.197 1.006 -2.962 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.721 1.316 -0.934 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.664 2.485 -1.836 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.798 1.804 -3.726 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.153 0.098 -4.020 1.00 18.16 H new ATOM 639 N GLN A 41 -8.558 2.644 -1.404 1.00 6.52 N ATOM 640 CA GLN A 41 -7.507 2.235 -0.476 1.00 3.87 C ATOM 641 C GLN A 41 -6.958 3.462 0.143 1.00 4.79 C ATOM 642 O GLN A 41 -6.763 4.479 -0.514 1.00 6.34 O ATOM 643 CB GLN A 41 -6.306 1.507 -1.186 1.00 4.20 C ATOM 644 CG GLN A 41 -6.695 0.233 -1.987 1.00 3.20 C ATOM 645 CD GLN A 41 -5.491 -0.316 -2.755 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.366 -0.194 -2.293 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.727 -0.936 -3.941 1.00 7.13 N ATOM 0 H GLN A 41 -8.191 3.140 -2.216 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.951 1.543 0.240 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.823 2.211 -1.863 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.569 1.233 -0.431 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.075 -0.528 -1.306 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.500 0.468 -2.684 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.681 -1.018 -4.293 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -4.950 -1.320 -4.479 1.00 7.13 H new ATOM 656 N ARG A 42 -6.648 3.368 1.453 1.00 5.73 N ATOM 657 CA ARG A 42 -5.739 4.252 2.138 1.00 6.97 C ATOM 658 C ARG A 42 -4.584 3.442 2.702 1.00 7.15 C ATOM 659 O ARG A 42 -4.748 2.349 3.118 1.00 7.33 O ATOM 660 CB ARG A 42 -6.487 5.039 3.203 1.00 13.23 C ATOM 661 CG ARG A 42 -7.330 6.150 2.543 1.00 21.27 C ATOM 662 CD ARG A 42 -7.540 7.281 3.579 1.00 26.14 C ATOM 663 NE ARG A 42 -8.533 8.224 3.018 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.760 8.545 3.467 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.466 7.852 4.398 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.383 9.604 2.909 1.00 36.39 N ATOM 0 H ARG A 42 -7.044 2.651 2.061 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.319 4.982 1.446 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.133 4.372 3.774 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.780 5.477 3.907 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.824 6.535 1.658 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.290 5.753 2.214 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.893 6.872 4.526 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.599 7.792 3.783 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.244 8.702 2.164 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.069 7.011 4.817 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.393 8.172 4.678 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.923 10.135 2.169 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.314 9.874 3.227 1.00 36.39 H new ATOM 680 N LEU A 43 -3.360 3.923 2.647 1.00 4.65 N ATOM 681 CA LEU A 43 -2.151 3.200 3.054 1.00 3.51 C ATOM 682 C LEU A 43 -1.432 3.777 4.237 1.00 5.56 C ATOM 683 O LEU A 43 -1.035 4.915 4.184 1.00 4.19 O ATOM 684 CB LEU A 43 -1.194 3.146 1.793 1.00 3.74 C ATOM 685 CG LEU A 43 -1.665 2.156 0.681 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.502 2.343 -0.323 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.763 0.664 1.044 1.00 6.41 C ATOM 0 H LEU A 43 -3.161 4.864 2.306 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.455 2.208 3.389 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.116 4.146 1.366 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.194 2.860 2.120 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.686 2.378 0.372 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.667 1.707 -1.193 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.458 3.385 -0.639 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.439 2.068 0.154 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.102 0.100 0.175 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.783 0.300 1.354 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.473 0.534 1.861 1.00 6.41 H new ATOM 699 N ILE A 44 -1.231 3.035 5.377 1.00 4.58 N ATOM 700 CA ILE A 44 -0.498 3.414 6.584 1.00 5.55 C ATOM 701 C ILE A 44 0.770 2.531 6.682 1.00 5.46 C ATOM 702 O ILE A 44 0.649 1.318 6.535 1.00 6.04 O ATOM 703 CB ILE A 44 -1.361 3.314 7.793 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.747 3.955 7.550 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.696 4.048 9.084 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.864 5.454 7.440 1.00 13.90 C ATOM 0 H ILE A 44 -1.614 2.093 5.457 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.193 4.459 6.526 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.466 2.248 7.994 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.147 3.528 6.630 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.401 3.635 8.361 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.361 3.949 9.942 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.263 3.583 9.313 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.543 5.104 8.863 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.906 5.726 7.270 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.514 5.915 8.364 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.257 5.806 6.606 1.00 13.90 H new ATOM 718 N PHE A 45 1.971 3.108 6.944 1.00 6.75 N ATOM 719 CA PHE A 45 3.180 2.406 7.468 1.00 4.70 C ATOM 720 C PHE A 45 3.996 3.399 8.205 1.00 6.34 C ATOM 721 O PHE A 45 4.070 4.584 7.871 1.00 5.45 O ATOM 722 CB PHE A 45 3.928 1.768 6.282 1.00 5.51 C ATOM 723 CG PHE A 45 5.186 1.087 6.627 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.208 -0.233 7.145 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.482 1.759 6.525 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.467 -0.938 7.362 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.643 1.105 6.860 1.00 6.64 C ATOM 728 CZ PHE A 45 7.655 -0.243 7.226 1.00 6.84 C ATOM 0 H PHE A 45 2.134 4.104 6.793 1.00 6.75 H new ATOM 0 HA PHE A 45 2.929 1.601 8.159 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.265 1.050 5.799 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.144 2.545 5.549 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.277 -0.725 7.383 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.526 2.782 6.182 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.471 -1.986 7.625 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.575 1.650 6.840 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.595 -0.744 7.403 1.00 6.84 H new ATOM 738 N ALA A 46 4.670 2.869 9.248 1.00 6.53 N ATOM 739 CA ALA A 46 5.435 3.575 10.255 1.00 7.15 C ATOM 740 C ALA A 46 4.735 4.771 10.928 1.00 9.00 C ATOM 741 O ALA A 46 5.300 5.880 10.966 1.00 11.15 O ATOM 742 CB ALA A 46 6.799 3.998 9.634 1.00 8.99 C ATOM 0 H ALA A 46 4.684 1.861 9.404 1.00 6.53 H new ATOM 0 HA ALA A 46 5.569 2.873 11.078 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.388 4.532 10.380 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.342 3.110 9.310 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.623 4.649 8.777 1.00 8.99 H new ATOM 748 N GLY A 47 3.488 4.556 11.303 1.00 9.35 N ATOM 749 CA GLY A 47 2.796 5.626 11.954 1.00 11.68 C ATOM 750 C GLY A 47 2.161 6.699 11.097 1.00 11.14 C ATOM 751 O GLY A 47 1.441 7.556 11.562 1.00 13.93 O ATOM 0 H GLY A 47 2.963 3.691 11.172 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.012 5.187 12.572 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.499 6.113 12.630 1.00 11.68 H new ATOM 755 N LYS A 48 2.377 6.652 9.786 1.00 10.47 N ATOM 756 CA LYS A 48 1.953 7.740 8.879 1.00 8.82 C ATOM 757 C LYS A 48 1.465 7.214 7.547 1.00 7.68 C ATOM 758 O LYS A 48 1.935 6.128 7.092 1.00 6.47 O ATOM 759 CB LYS A 48 3.151 8.706 8.672 1.00 9.74 C ATOM 760 CG LYS A 48 4.404 8.085 8.043 1.00 14.14 C ATOM 761 CD LYS A 48 5.647 9.028 7.929 1.00 16.32 C ATOM 762 CE LYS A 48 7.030 8.277 7.764 1.00 20.04 C ATOM 763 NZ LYS A 48 8.036 9.336 7.716 1.00 23.92 N ATOM 0 H LYS A 48 2.843 5.875 9.317 1.00 10.47 H new ATOM 0 HA LYS A 48 1.114 8.266 9.335 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.823 9.533 8.043 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.424 9.130 9.639 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.687 7.211 8.630 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.148 7.730 7.045 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.505 9.693 7.077 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.693 9.656 8.819 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.212 7.598 8.597 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.046 7.676 6.854 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.980 8.913 7.607 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.842 9.963 6.909 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.003 9.887 8.598 1.00 23.92 H new ATOM 777 N GLN A 49 0.566 7.959 6.913 1.00 8.89 N ATOM 778 CA GLN A 49 0.032 7.761 5.618 1.00 7.18 C ATOM 779 C GLN A 49 0.971 7.881 4.414 1.00 8.23 C ATOM 780 O GLN A 49 1.927 8.600 4.450 1.00 9.70 O ATOM 781 CB GLN A 49 -1.145 8.660 5.376 1.00 11.67 C ATOM 782 CG GLN A 49 -2.216 8.146 4.386 1.00 15.82 C ATOM 783 CD GLN A 49 -3.276 9.239 4.164 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.386 9.109 4.733 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.037 10.254 3.312 1.00 20.67 N ATOM 0 H GLN A 49 0.171 8.789 7.356 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.235 6.705 5.659 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.630 8.852 6.333 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.773 9.617 5.009 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.751 7.878 3.437 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.685 7.243 4.778 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.126 10.338 2.862 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.767 10.939 3.117 1.00 20.67 H new ATOM 794 N LEU A 50 0.783 7.151 3.338 1.00 6.51 N ATOM 795 CA LEU A 50 1.807 7.056 2.343 1.00 7.41 C ATOM 796 C LEU A 50 1.378 7.973 1.188 1.00 8.27 C ATOM 797 O LEU A 50 0.200 8.076 0.782 1.00 8.34 O ATOM 798 CB LEU A 50 2.132 5.604 1.932 1.00 7.13 C ATOM 799 CG LEU A 50 2.436 4.637 3.123 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.046 3.378 2.545 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.517 5.228 4.066 1.00 9.11 C ATOM 0 H LEU A 50 -0.065 6.621 3.137 1.00 6.51 H new ATOM 0 HA LEU A 50 2.765 7.395 2.737 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.291 5.205 1.364 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.992 5.615 1.263 1.00 7.13 H new ATOM 0 HG LEU A 50 1.510 4.466 3.671 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.271 2.680 3.351 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.342 2.918 1.852 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.965 3.629 2.015 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.706 4.533 4.884 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.439 5.390 3.507 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.167 6.177 4.471 1.00 9.11 H new ATOM 813 N GLU A 51 2.346 8.610 0.587 1.00 9.43 N ATOM 814 CA GLU A 51 2.171 9.663 -0.468 1.00 11.90 C ATOM 815 C GLU A 51 2.283 9.148 -1.855 1.00 11.49 C ATOM 816 O GLU A 51 3.350 8.709 -2.198 1.00 9.88 O ATOM 817 CB GLU A 51 2.960 10.953 -0.195 1.00 16.56 C ATOM 818 CG GLU A 51 2.760 12.120 -1.194 1.00 26.06 C ATOM 819 CD GLU A 51 3.626 13.366 -0.857 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.530 13.896 0.297 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.466 13.767 -1.701 1.00 33.44 O ATOM 0 H GLU A 51 3.327 8.429 0.801 1.00 9.43 H new ATOM 0 HA GLU A 51 1.129 9.972 -0.388 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.695 11.309 0.800 1.00 16.56 H new ATOM 0 HB3 GLU A 51 4.021 10.704 -0.172 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.004 11.776 -2.199 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.709 12.407 -1.202 1.00 26.06 H new ATOM 828 N ASP A 52 1.191 9.207 -2.669 1.00 12.71 N ATOM 829 CA ASP A 52 1.179 8.632 -4.021 1.00 16.56 C ATOM 830 C ASP A 52 2.341 8.837 -4.991 1.00 15.83 C ATOM 831 O ASP A 52 2.792 7.938 -5.698 1.00 17.21 O ATOM 832 CB ASP A 52 -0.136 8.901 -4.787 1.00 21.05 C ATOM 833 CG ASP A 52 -1.356 8.841 -3.850 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.687 7.694 -3.390 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.025 9.870 -3.671 1.00 25.82 O ATOM 0 H ASP A 52 0.313 9.650 -2.400 1.00 12.71 H new ATOM 0 HA ASP A 52 1.301 7.595 -3.709 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.088 9.881 -5.262 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.251 8.166 -5.584 1.00 21.05 H new ATOM 840 N GLY A 53 2.884 10.049 -5.076 1.00 15.00 N ATOM 841 CA GLY A 53 3.793 10.394 -6.164 1.00 11.77 C ATOM 842 C GLY A 53 5.206 10.119 -5.874 1.00 11.10 C ATOM 843 O GLY A 53 6.072 10.523 -6.627 1.00 11.25 O ATOM 0 H GLY A 53 2.712 10.802 -4.410 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.502 9.840 -7.056 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.680 11.453 -6.396 1.00 11.77 H new ATOM 847 N ARG A 54 5.517 9.487 -4.726 1.00 8.53 N ATOM 848 CA ARG A 54 6.825 9.070 -4.246 1.00 9.05 C ATOM 849 C ARG A 54 6.921 7.596 -4.026 1.00 8.96 C ATOM 850 O ARG A 54 5.950 6.808 -3.956 1.00 11.60 O ATOM 851 CB ARG A 54 7.284 9.887 -3.067 1.00 7.97 C ATOM 852 CG ARG A 54 6.591 9.512 -1.706 1.00 9.62 C ATOM 853 CD ARG A 54 7.240 10.192 -0.520 1.00 12.20 C ATOM 854 NE ARG A 54 6.598 11.546 -0.543 1.00 18.23 N ATOM 855 CZ ARG A 54 7.012 12.505 0.315 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.754 12.255 1.382 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.528 13.744 0.148 1.00 23.38 N ATOM 0 H ARG A 54 4.785 9.239 -4.060 1.00 8.53 H new ATOM 0 HA ARG A 54 7.533 9.281 -5.047 1.00 9.05 H new ATOM 0 HB2 ARG A 54 8.362 9.769 -2.956 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.099 10.941 -3.277 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.538 9.790 -1.749 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.630 8.432 -1.568 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.041 9.663 0.412 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.323 10.253 -0.628 1.00 12.20 H new ATOM 0 HE ARG A 54 5.849 11.744 -1.206 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.042 11.299 1.590 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.038 13.018 1.996 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.870 13.937 -0.607 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.818 14.494 0.776 1.00 23.38 H new ATOM 871 N THR A 55 8.166 7.132 -3.846 1.00 9.05 N ATOM 872 CA THR A 55 8.468 5.695 -3.969 1.00 9.03 C ATOM 873 C THR A 55 8.464 4.971 -2.623 1.00 8.15 C ATOM 874 O THR A 55 8.532 5.540 -1.511 1.00 5.91 O ATOM 875 CB THR A 55 9.809 5.302 -4.654 1.00 11.15 C ATOM 876 OG1 THR A 55 10.968 5.596 -3.920 1.00 11.95 O ATOM 877 CG2 THR A 55 9.950 6.029 -5.987 1.00 11.71 C ATOM 0 H THR A 55 8.969 7.718 -3.618 1.00 9.05 H new ATOM 0 HA THR A 55 7.653 5.385 -4.622 1.00 9.03 H new ATOM 0 HB THR A 55 9.743 4.219 -4.757 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.955 6.538 -3.651 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.892 5.747 -6.458 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.121 5.755 -6.640 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.938 7.106 -5.817 1.00 11.71 H new ATOM 885 N LEU A 56 8.488 3.677 -2.703 1.00 6.91 N ATOM 886 CA LEU A 56 8.770 2.764 -1.593 1.00 8.29 C ATOM 887 C LEU A 56 10.141 2.958 -0.907 1.00 8.05 C ATOM 888 O LEU A 56 10.303 2.980 0.305 1.00 10.17 O ATOM 889 CB LEU A 56 8.694 1.293 -2.168 1.00 6.60 C ATOM 890 CG LEU A 56 7.267 0.815 -2.415 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.224 -0.489 -3.271 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.434 0.666 -1.108 1.00 8.64 C ATOM 0 H LEU A 56 8.305 3.186 -3.578 1.00 6.91 H new ATOM 0 HA LEU A 56 8.031 2.971 -0.819 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.252 1.246 -3.103 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.182 0.612 -1.471 1.00 6.60 H new ATOM 0 HG LEU A 56 6.790 1.605 -2.994 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.188 -0.792 -3.421 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.692 -0.305 -4.238 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.762 -1.282 -2.753 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.429 0.323 -1.354 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.914 -0.059 -0.451 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.375 1.630 -0.602 1.00 8.64 H new ATOM 904 N SER A 57 11.237 3.286 -1.723 1.00 8.92 N ATOM 905 CA SER A 57 12.553 3.588 -1.257 1.00 9.00 C ATOM 906 C SER A 57 12.522 4.829 -0.313 1.00 9.44 C ATOM 907 O SER A 57 13.248 4.962 0.710 1.00 10.91 O ATOM 908 CB SER A 57 13.586 3.843 -2.407 1.00 10.32 C ATOM 909 OG SER A 57 13.503 5.170 -3.033 1.00 13.59 O ATOM 0 H SER A 57 11.160 3.331 -2.739 1.00 8.92 H new ATOM 0 HA SER A 57 12.887 2.702 -0.717 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.591 3.708 -2.008 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.444 3.085 -3.177 1.00 10.32 H new ATOM 0 HG SER A 57 12.613 5.292 -3.425 1.00 13.59 H new ATOM 915 N ASP A 58 11.562 5.790 -0.590 1.00 9.11 N ATOM 916 CA ASP A 58 11.478 7.061 0.060 1.00 7.91 C ATOM 917 C ASP A 58 10.957 6.842 1.480 1.00 9.12 C ATOM 918 O ASP A 58 11.222 7.627 2.396 1.00 8.61 O ATOM 919 CB ASP A 58 10.684 8.122 -0.764 1.00 8.41 C ATOM 920 CG ASP A 58 11.349 8.418 -2.017 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.556 8.861 -1.952 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.738 8.170 -3.127 1.00 11.70 O ATOM 0 H ASP A 58 10.835 5.652 -1.292 1.00 9.11 H new ATOM 0 HA ASP A 58 12.472 7.504 0.127 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.677 7.754 -0.962 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.580 9.036 -0.180 1.00 8.41 H new ATOM 927 N TYR A 59 10.238 5.728 1.665 1.00 7.97 N ATOM 928 CA TYR A 59 9.694 5.319 3.003 1.00 8.45 C ATOM 929 C TYR A 59 10.513 4.170 3.568 1.00 10.98 C ATOM 930 O TYR A 59 10.234 3.640 4.652 1.00 12.95 O ATOM 931 CB TYR A 59 8.226 4.841 2.776 1.00 7.94 C ATOM 932 CG TYR A 59 7.355 6.011 2.575 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.220 7.019 3.514 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.457 6.050 1.435 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.265 8.060 3.392 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.554 7.097 1.285 1.00 6.52 C ATOM 937 CZ TYR A 59 5.458 8.070 2.251 1.00 6.76 C ATOM 938 OH TYR A 59 4.687 9.179 1.975 1.00 7.63 O ATOM 0 H TYR A 59 10.009 5.079 0.912 1.00 7.97 H new ATOM 0 HA TYR A 59 9.736 6.152 3.705 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.176 4.184 1.908 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.884 4.262 3.634 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.870 7.012 4.377 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.490 5.261 0.699 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.165 8.819 4.154 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.927 7.146 0.407 1.00 6.52 H new ATOM 0 HH TYR A 59 5.129 9.980 2.326 1.00 7.63 H new ATOM 948 N ASN A 60 11.564 3.715 2.841 1.00 12.38 N ATOM 949 CA ASN A 60 12.628 2.776 3.423 1.00 13.94 C ATOM 950 C ASN A 60 12.099 1.402 3.669 1.00 14.16 C ATOM 951 O ASN A 60 12.322 0.890 4.793 1.00 14.26 O ATOM 952 CB ASN A 60 13.351 3.350 4.631 1.00 19.23 C ATOM 953 CG ASN A 60 14.149 4.639 4.190 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.558 5.741 4.080 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.490 4.511 4.103 1.00 24.09 N ATOM 0 H ASN A 60 11.721 3.963 1.864 1.00 12.38 H new ATOM 0 HA ASN A 60 13.391 2.684 2.650 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.635 3.600 5.414 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.033 2.609 5.048 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.071 5.333 3.941 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.922 3.592 4.200 1.00 24.09 H new ATOM 962 N ILE A 61 11.313 0.917 2.715 1.00 11.08 N ATOM 963 CA ILE A 61 10.612 -0.309 2.902 1.00 11.78 C ATOM 964 C ILE A 61 11.441 -1.525 2.473 1.00 13.74 C ATOM 965 O ILE A 61 11.785 -1.652 1.266 1.00 14.60 O ATOM 966 CB ILE A 61 9.316 -0.175 2.142 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.380 0.672 3.069 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.723 -1.548 1.842 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.243 1.357 2.309 1.00 11.42 C ATOM 0 H ILE A 61 11.157 1.366 1.813 1.00 11.08 H new ATOM 0 HA ILE A 61 10.412 -0.489 3.958 1.00 11.78 H new ATOM 0 HB ILE A 61 9.453 0.307 1.174 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.957 0.025 3.837 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.974 1.429 3.581 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.789 -1.429 1.293 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.426 -2.124 1.241 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.530 -2.073 2.777 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.631 1.928 3.007 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.660 2.029 1.559 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.627 0.603 1.819 1.00 11.42 H new ATOM 981 N GLN A 62 11.762 -2.362 3.489 1.00 13.97 N ATOM 982 CA GLN A 62 12.515 -3.571 3.291 1.00 15.52 C ATOM 983 C GLN A 62 11.656 -4.691 2.839 1.00 13.94 C ATOM 984 O GLN A 62 10.475 -4.739 2.946 1.00 12.15 O ATOM 985 CB GLN A 62 13.227 -3.896 4.602 1.00 19.53 C ATOM 986 CG GLN A 62 14.259 -2.845 5.068 1.00 26.38 C ATOM 987 CD GLN A 62 15.433 -2.951 4.110 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.658 -3.929 3.323 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.347 -1.902 4.107 1.00 32.71 N ATOM 0 H GLN A 62 11.495 -2.196 4.459 1.00 13.97 H new ATOM 0 HA GLN A 62 13.247 -3.424 2.497 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.477 -4.017 5.384 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.733 -4.855 4.494 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.830 -1.843 5.049 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.575 -3.037 6.093 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.205 -1.100 4.721 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.159 -1.935 3.491 1.00 32.71 H new ATOM 998 N LYS A 63 12.362 -5.724 2.366 1.00 11.73 N ATOM 999 CA LYS A 63 11.628 -6.888 1.967 1.00 11.97 C ATOM 1000 C LYS A 63 10.820 -7.687 3.041 1.00 10.41 C ATOM 1001 O LYS A 63 11.226 -7.837 4.216 1.00 9.59 O ATOM 1002 CB LYS A 63 12.622 -7.876 1.284 1.00 13.73 C ATOM 1003 CG LYS A 63 13.553 -8.611 2.265 1.00 16.98 C ATOM 1004 CD LYS A 63 14.486 -9.577 1.501 1.00 20.19 C ATOM 1005 CE LYS A 63 15.800 -8.927 1.066 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.687 -7.863 0.064 1.00 25.97 N ATOM 0 H LYS A 63 13.376 -5.765 2.261 1.00 11.73 H new ATOM 0 HA LYS A 63 10.851 -6.480 1.320 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.053 -8.614 0.718 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.230 -7.325 0.567 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.147 -7.888 2.824 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.960 -9.166 2.992 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.705 -10.437 2.134 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.966 -9.954 0.621 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.290 -8.517 1.949 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.454 -9.704 0.670 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.610 -7.716 -0.392 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.986 -8.135 -0.654 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.385 -6.982 0.526 1.00 25.97 H new ATOM 1020 N GLU A 64 9.675 -8.201 2.614 1.00 10.04 N ATOM 1021 CA GLU A 64 8.691 -8.855 3.424 1.00 10.94 C ATOM 1022 C GLU A 64 8.047 -8.141 4.673 1.00 9.74 C ATOM 1023 O GLU A 64 7.189 -8.691 5.316 1.00 9.42 O ATOM 1024 CB GLU A 64 9.062 -10.255 3.835 1.00 18.31 C ATOM 1025 CG GLU A 64 9.445 -11.125 2.639 1.00 24.16 C ATOM 1026 CD GLU A 64 9.578 -12.620 2.919 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.050 -13.201 3.918 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.250 -13.187 2.013 1.00 31.72 O ATOM 0 H GLU A 64 9.405 -8.163 1.631 1.00 10.04 H new ATOM 0 HA GLU A 64 7.902 -8.824 2.672 1.00 10.94 H new ATOM 0 HB2 GLU A 64 9.896 -10.217 4.536 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.224 -10.712 4.361 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.697 -10.986 1.859 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.393 -10.764 2.240 1.00 24.16 H new ATOM 1035 N SER A 65 8.461 -6.819 4.939 1.00 6.85 N ATOM 1036 CA SER A 65 7.840 -5.853 5.823 1.00 6.90 C ATOM 1037 C SER A 65 6.322 -5.900 5.672 1.00 4.72 C ATOM 1038 O SER A 65 5.855 -5.993 4.567 1.00 3.91 O ATOM 1039 CB SER A 65 8.285 -4.455 5.564 1.00 7.28 C ATOM 1040 OG SER A 65 9.704 -4.305 5.550 1.00 10.56 O ATOM 0 H SER A 65 9.290 -6.432 4.488 1.00 6.85 H new ATOM 0 HA SER A 65 8.146 -6.129 6.832 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.883 -4.125 4.606 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.865 -3.801 6.328 1.00 7.28 H new ATOM 0 HG SER A 65 10.050 -4.544 4.665 1.00 10.56 H new ATOM 1046 N THR A 66 5.537 -5.814 6.769 1.00 4.48 N ATOM 1047 CA THR A 66 4.066 -5.728 6.761 1.00 3.80 C ATOM 1048 C THR A 66 3.815 -4.265 6.692 1.00 4.60 C ATOM 1049 O THR A 66 4.262 -3.381 7.469 1.00 5.33 O ATOM 1050 CB THR A 66 3.418 -6.368 7.927 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.660 -7.758 7.771 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.878 -6.128 7.921 1.00 3.40 C ATOM 0 H THR A 66 5.925 -5.802 7.712 1.00 4.48 H new ATOM 0 HA THR A 66 3.629 -6.279 5.928 1.00 3.80 H new ATOM 0 HB THR A 66 3.810 -5.962 8.859 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.255 -8.246 8.518 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.431 -6.611 8.790 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.676 -5.057 7.957 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.448 -6.548 7.012 1.00 3.40 H new ATOM 1060 N LEU A 67 2.918 -3.931 5.674 1.00 4.17 N ATOM 1061 CA LEU A 67 2.311 -2.586 5.424 1.00 3.85 C ATOM 1062 C LEU A 67 0.841 -2.708 5.790 1.00 3.80 C ATOM 1063 O LEU A 67 0.204 -3.748 5.709 1.00 5.54 O ATOM 1064 CB LEU A 67 2.403 -2.252 3.905 1.00 7.18 C ATOM 1065 CG LEU A 67 3.755 -1.749 3.440 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.817 -2.836 3.317 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.594 -1.030 2.064 1.00 11.66 C ATOM 0 H LEU A 67 2.602 -4.625 4.997 1.00 4.17 H new ATOM 0 HA LEU A 67 2.820 -1.812 5.998 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.150 -3.146 3.336 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.651 -1.499 3.668 1.00 7.18 H new ATOM 0 HG LEU A 67 4.106 -1.062 4.210 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.754 -2.393 2.979 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.968 -3.308 4.288 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.489 -3.585 2.596 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.565 -0.667 1.727 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.195 -1.731 1.331 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.910 -0.189 2.171 1.00 11.66 H new ATOM 1079 N HIS A 68 0.241 -1.603 6.180 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.176 -1.551 6.573 1.00 4.17 C ATOM 1081 C HIS A 68 -1.958 -0.967 5.391 1.00 5.32 C ATOM 1082 O HIS A 68 -1.542 0.035 4.880 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.467 -0.741 7.896 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.452 -0.825 8.949 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.776 -0.266 8.912 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.560 -1.348 10.246 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.445 -0.503 10.096 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.660 -1.118 10.941 1.00 16.30 N ATOM 0 H HIS A 68 0.715 -0.702 6.238 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.493 -2.567 6.809 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.599 0.308 7.632 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.415 -1.088 8.307 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.155 0.257 8.122 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.429 -1.845 10.652 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.468 -0.221 10.295 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.090 -1.621 5.063 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.068 -1.344 4.071 1.00 3.97 C ATOM 1098 C LEU A 69 -5.418 -1.032 4.633 1.00 5.07 C ATOM 1099 O LEU A 69 -5.955 -1.830 5.372 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.301 -2.556 3.168 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.403 -2.453 2.067 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.073 -1.344 1.104 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.471 -3.837 1.440 1.00 9.96 C ATOM 0 H LEU A 69 -3.343 -2.465 5.577 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.663 -0.484 3.537 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.358 -2.790 2.674 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.546 -3.405 3.806 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.386 -2.186 2.454 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.849 -1.282 0.341 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.018 -0.398 1.643 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.113 -1.548 0.630 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.226 -3.844 0.654 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.501 -4.091 1.013 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.735 -4.570 2.203 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.022 0.158 4.386 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.273 0.658 4.970 1.00 6.26 C ATOM 1117 C VAL A 70 -8.272 0.870 3.924 1.00 9.22 C ATOM 1118 O VAL A 70 -7.975 1.504 2.900 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.042 1.976 5.756 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.310 2.432 6.497 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.907 1.791 6.750 1.00 8.54 C ATOM 0 H VAL A 70 -5.616 0.828 3.733 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.638 -0.095 5.669 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.782 2.750 5.034 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.104 3.358 7.034 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.111 2.600 5.777 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.614 1.662 7.205 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.749 2.719 7.299 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.162 0.995 7.449 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.995 1.526 6.215 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.470 0.326 4.070 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.611 0.590 3.197 1.00 16.06 C ATOM 1133 C LEU A 71 -11.149 2.085 3.320 1.00 18.09 C ATOM 1134 O LEU A 71 -11.208 2.588 4.440 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.783 -0.407 3.518 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.903 -0.479 2.449 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.277 -0.982 1.183 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.080 -1.379 2.905 1.00 19.57 C ATOM 0 H LEU A 71 -9.685 -0.331 4.820 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.260 0.447 2.175 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.364 -1.405 3.649 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.230 -0.122 4.470 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.336 0.509 2.291 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.036 -1.047 0.403 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.491 -0.296 0.868 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.849 -1.969 1.356 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.843 -1.402 2.127 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.716 -2.390 3.086 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.510 -0.978 3.823 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.628 2.682 2.246 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.050 4.060 2.217 1.00 25.83 C ATOM 1152 C ARG A 72 -13.505 4.047 1.823 1.00 27.74 C ATOM 1153 O ARG A 72 -13.881 3.331 0.936 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.203 4.819 1.179 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.586 6.317 0.999 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.555 7.075 0.195 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.278 8.382 0.027 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.963 9.298 -0.852 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.070 9.019 -1.814 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.628 10.425 -0.839 1.00 35.02 N ATOM 0 H ARG A 72 -11.735 2.207 1.350 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.921 4.556 3.179 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.155 4.758 1.471 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.295 4.316 0.216 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.554 6.386 0.503 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.696 6.783 1.978 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.609 7.185 0.726 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.332 6.595 -0.758 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.070 8.568 0.642 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.640 8.095 -1.858 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.822 9.731 -2.501 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.370 10.571 -0.155 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.404 11.157 -1.513 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.355 4.772 2.557 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.792 4.922 2.181 1.00 30.76 C ATOM 1176 C LEU A 73 -16.143 6.396 2.072 1.00 32.18 C ATOM 1177 O LEU A 73 -15.455 7.262 2.617 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.775 4.317 3.226 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.789 2.777 3.411 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.604 2.495 4.655 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.440 2.054 2.212 1.00 29.11 C ATOM 0 H LEU A 73 -14.091 5.266 3.410 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.903 4.388 1.237 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.551 4.767 4.193 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.783 4.629 2.955 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.765 2.413 3.491 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.643 1.420 4.828 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.141 2.984 5.512 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.616 2.878 4.522 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.428 0.978 2.386 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.470 2.392 2.099 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.882 2.281 1.304 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.087 6.828 1.206 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.385 8.201 0.906 1.00 35.33 C ATOM 1195 C ARG A 74 -17.822 9.021 2.097 1.00 36.22 C ATOM 1196 O ARG A 74 -18.556 8.502 2.947 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.368 8.387 -0.294 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.993 7.759 -1.697 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.713 8.267 -2.350 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.564 7.400 -1.935 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.296 7.666 -2.361 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.918 8.823 -2.829 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.398 6.677 -2.142 1.00 41.93 N ATOM 0 H ARG A 74 -17.676 6.179 0.685 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.420 8.600 0.595 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.332 7.975 0.004 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.510 9.458 -0.440 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.908 6.679 -1.576 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.821 7.939 -2.383 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.817 8.257 -3.435 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.528 9.300 -2.057 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.732 6.600 -1.325 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.586 9.591 -2.892 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.954 8.960 -3.132 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.692 5.812 -1.688 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.427 6.797 -2.431 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.506 10.293 2.191 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.918 11.228 3.251 1.00 36.07 C ATOM 1219 C GLY A 75 -16.819 11.234 4.353 1.00 36.16 C ATOM 1220 O GLY A 75 -16.936 12.072 5.265 1.00 36.26 O ATOM 0 H GLY A 75 -16.917 10.745 1.492 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.051 12.230 2.843 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.877 10.925 3.673 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.794 10.350 4.241 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.754 10.254 5.154 1.00 36.19 C ATOM 1226 C GLY A 76 -13.510 9.816 4.478 1.00 36.20 C ATOM 1227 O GLY A 76 -13.030 10.551 3.565 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.054 8.706 4.713 1.00 0.00 O ATOM 0 H GLY A 76 -15.717 9.688 3.469 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.594 11.219 5.634 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.016 9.546 5.940 1.00 36.19 H new TER 1232 GLY A 76