USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 55 THR OG1 : rot -46:sc= 1.83 USER MOD Set 1.2: A 57 SER OG : rot -43:sc= 0.737 USER MOD Set 2.1: A 7 THR OG1 : rot 146:sc= 1.26 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -179:sc= 0.527 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.483 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.47 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= -0.0253 K(o=-0.025,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 0.482 (180deg=0.0149!) USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.464 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 0.858 (180deg=-0.584!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 41 GLN : amide:sc= 0.894 K(o=0.89,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0923 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.138 -7.705 -5.088 1.00 9.67 N ATOM 2 CA MET A 1 11.196 -8.245 -3.683 1.00 10.38 C ATOM 3 C MET A 1 9.808 -8.497 -3.070 1.00 9.62 C ATOM 4 O MET A 1 8.776 -8.115 -3.642 1.00 9.62 O ATOM 5 CB MET A 1 12.163 -7.417 -2.800 1.00 13.77 C ATOM 6 CG MET A 1 11.838 -5.911 -2.631 1.00 16.29 C ATOM 7 SD MET A 1 10.407 -5.413 -1.761 1.00 17.17 S ATOM 8 CE MET A 1 10.720 -3.593 -1.755 1.00 16.11 C ATOM 0 H1 MET A 1 12.094 -7.701 -5.498 1.00 9.67 H new ATOM 0 H2 MET A 1 10.516 -8.306 -5.666 1.00 9.67 H new ATOM 0 H3 MET A 1 10.764 -6.735 -5.072 1.00 9.67 H new ATOM 0 HA MET A 1 11.630 -9.244 -3.732 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.192 -7.872 -1.810 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.165 -7.503 -3.220 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.693 -5.449 -2.138 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.775 -5.480 -3.630 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.906 -3.086 -1.237 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.660 -3.387 -1.243 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.779 -3.231 -2.781 1.00 16.11 H new ATOM 20 N GLN A 2 9.712 -9.127 -1.875 1.00 9.27 N ATOM 21 CA GLN A 2 8.419 -9.230 -1.238 1.00 9.07 C ATOM 22 C GLN A 2 8.213 -8.136 -0.132 1.00 8.72 C ATOM 23 O GLN A 2 9.129 -7.635 0.524 1.00 8.22 O ATOM 24 CB GLN A 2 8.227 -10.629 -0.594 1.00 14.46 C ATOM 25 CG GLN A 2 8.225 -11.826 -1.621 1.00 17.01 C ATOM 26 CD GLN A 2 7.944 -13.166 -0.969 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.053 -13.312 0.254 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.591 -14.176 -1.791 1.00 19.49 N ATOM 0 H GLN A 2 10.490 -9.548 -1.367 1.00 9.27 H new ATOM 0 HA GLN A 2 7.679 -9.076 -2.023 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.022 -10.792 0.134 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.286 -10.636 -0.045 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.475 -11.637 -2.389 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.191 -11.868 -2.123 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.512 -14.013 -2.795 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.403 -15.103 -1.409 1.00 19.49 H new ATOM 37 N ILE A 3 6.899 -7.750 0.045 1.00 5.87 N ATOM 38 CA ILE A 3 6.408 -6.944 1.171 1.00 5.07 C ATOM 39 C ILE A 3 5.045 -7.557 1.580 1.00 4.01 C ATOM 40 O ILE A 3 4.444 -8.242 0.739 1.00 4.61 O ATOM 41 CB ILE A 3 6.104 -5.429 0.854 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.980 -5.134 -0.190 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.447 -4.746 0.461 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.647 -3.636 -0.410 1.00 10.83 C ATOM 0 H ILE A 3 6.162 -8.006 -0.612 1.00 5.87 H new ATOM 0 HA ILE A 3 7.197 -6.961 1.923 1.00 5.07 H new ATOM 0 HB ILE A 3 5.679 -5.008 1.765 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.274 -5.567 -1.146 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.072 -5.647 0.126 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.268 -3.695 0.236 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.151 -4.825 1.289 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.863 -5.240 -0.417 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.855 -3.545 -1.153 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.315 -3.195 0.530 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.537 -3.113 -0.762 1.00 10.83 H new ATOM 56 N PHE A 4 4.554 -7.281 2.811 1.00 4.55 N ATOM 57 CA PHE A 4 3.416 -7.972 3.285 1.00 4.68 C ATOM 58 C PHE A 4 2.372 -6.856 3.766 1.00 5.30 C ATOM 59 O PHE A 4 2.690 -5.925 4.423 1.00 5.58 O ATOM 60 CB PHE A 4 3.854 -8.758 4.551 1.00 4.83 C ATOM 61 CG PHE A 4 5.081 -9.621 4.249 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.933 -10.689 3.319 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.324 -9.555 4.916 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.895 -11.649 3.107 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.218 -10.605 4.794 1.00 10.61 C ATOM 66 CZ PHE A 4 7.026 -11.601 3.855 1.00 8.90 C ATOM 0 H PHE A 4 4.945 -6.593 3.454 1.00 4.55 H new ATOM 0 HA PHE A 4 2.993 -8.632 2.528 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.082 -8.061 5.358 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.035 -9.389 4.896 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.017 -10.748 2.750 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.575 -8.693 5.516 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.754 -12.421 2.365 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.080 -10.647 5.443 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.788 -12.353 3.714 1.00 8.90 H new ATOM 76 N VAL A 5 1.069 -6.987 3.321 1.00 4.44 N ATOM 77 CA VAL A 5 0.095 -5.968 3.552 1.00 3.87 C ATOM 78 C VAL A 5 -1.108 -6.585 4.320 1.00 4.93 C ATOM 79 O VAL A 5 -1.618 -7.633 3.928 1.00 6.84 O ATOM 80 CB VAL A 5 -0.489 -5.370 2.267 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.354 -4.151 2.590 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.668 -4.975 1.360 1.00 9.13 C ATOM 0 H VAL A 5 0.719 -7.798 2.810 1.00 4.44 H new ATOM 0 HA VAL A 5 0.611 -5.182 4.104 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.122 -6.103 1.768 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.761 -3.739 1.667 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.172 -4.449 3.246 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.746 -3.395 3.088 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.277 -4.546 0.437 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.292 -4.239 1.866 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.264 -5.857 1.126 1.00 9.13 H new ATOM 92 N LYS A 6 -1.460 -5.968 5.428 1.00 6.04 N ATOM 93 CA LYS A 6 -2.478 -6.425 6.294 1.00 6.12 C ATOM 94 C LYS A 6 -3.687 -5.513 6.375 1.00 6.57 C ATOM 95 O LYS A 6 -3.582 -4.294 6.156 1.00 5.76 O ATOM 96 CB LYS A 6 -1.857 -6.460 7.734 1.00 7.45 C ATOM 97 CG LYS A 6 -0.594 -7.301 7.782 1.00 11.12 C ATOM 98 CD LYS A 6 0.045 -7.413 9.231 1.00 14.54 C ATOM 99 CE LYS A 6 -0.708 -8.336 10.254 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.620 -9.710 9.876 1.00 20.55 N ATOM 0 H LYS A 6 -1.017 -5.105 5.744 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.819 -7.387 5.912 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.630 -5.444 8.057 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.588 -6.861 8.436 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.821 -8.302 7.417 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.143 -6.873 7.102 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.066 -7.779 9.127 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.107 -6.411 9.656 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.283 -8.202 11.249 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.755 -8.039 10.312 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.141 -10.293 10.562 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.032 -9.837 8.930 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.378 -10.003 9.861 1.00 20.55 H new ATOM 114 N THR A 7 -4.840 -6.130 6.690 1.00 7.41 N ATOM 115 CA THR A 7 -6.089 -5.468 6.899 1.00 7.48 C ATOM 116 C THR A 7 -6.672 -5.738 8.223 1.00 8.75 C ATOM 117 O THR A 7 -6.233 -6.612 8.970 1.00 8.58 O ATOM 118 CB THR A 7 -7.143 -5.895 5.796 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.405 -7.297 5.850 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.602 -5.463 4.397 1.00 9.17 C ATOM 0 H THR A 7 -4.903 -7.142 6.804 1.00 7.41 H new ATOM 0 HA THR A 7 -5.871 -4.402 6.832 1.00 7.48 H new ATOM 0 HB THR A 7 -8.093 -5.395 5.982 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.342 -7.464 5.615 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.317 -5.750 3.626 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.463 -4.382 4.379 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.648 -5.955 4.208 1.00 9.17 H new ATOM 128 N LEU A 8 -7.661 -4.956 8.583 1.00 9.84 N ATOM 129 CA LEU A 8 -8.441 -5.115 9.823 1.00 14.15 C ATOM 130 C LEU A 8 -9.576 -6.133 9.668 1.00 17.37 C ATOM 131 O LEU A 8 -10.453 -6.277 10.499 1.00 17.01 O ATOM 132 CB LEU A 8 -8.923 -3.732 10.322 1.00 16.63 C ATOM 133 CG LEU A 8 -7.730 -2.715 10.535 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.151 -1.248 10.519 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.997 -3.010 11.860 1.00 18.59 C ATOM 0 H LEU A 8 -7.967 -4.164 8.017 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.792 -5.534 10.592 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.627 -3.315 9.602 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.462 -3.856 11.261 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.068 -2.867 9.683 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.276 -0.617 10.672 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.607 -1.011 9.558 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.872 -1.068 11.316 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.180 -2.301 11.989 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.695 -2.914 12.691 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.597 -4.024 11.837 1.00 18.59 H new ATOM 147 N THR A 9 -9.593 -6.894 8.570 1.00 18.33 N ATOM 148 CA THR A 9 -10.454 -8.086 8.391 1.00 19.24 C ATOM 149 C THR A 9 -9.593 -9.353 8.582 1.00 19.48 C ATOM 150 O THR A 9 -10.002 -10.529 8.493 1.00 23.14 O ATOM 151 CB THR A 9 -10.998 -8.135 6.974 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.983 -7.998 5.951 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.913 -6.844 6.888 1.00 19.70 C ATOM 0 H THR A 9 -9.001 -6.703 7.761 1.00 18.33 H new ATOM 0 HA THR A 9 -11.271 -8.035 9.111 1.00 19.24 H new ATOM 0 HB THR A 9 -11.488 -9.093 6.799 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.402 -8.040 5.066 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.360 -6.781 5.896 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.701 -6.906 7.638 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.308 -5.956 7.070 1.00 19.70 H new ATOM 161 N GLY A 10 -8.296 -9.099 8.862 1.00 19.43 N ATOM 162 CA GLY A 10 -7.346 -10.092 9.324 1.00 18.74 C ATOM 163 C GLY A 10 -6.502 -10.813 8.278 1.00 17.62 C ATOM 164 O GLY A 10 -5.849 -11.817 8.506 1.00 19.74 O ATOM 0 H GLY A 10 -7.887 -8.170 8.765 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.667 -9.605 10.024 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.897 -10.846 9.887 1.00 18.74 H new ATOM 168 N LYS A 11 -6.684 -10.411 7.019 1.00 13.56 N ATOM 169 CA LYS A 11 -5.997 -11.022 5.896 1.00 11.91 C ATOM 170 C LYS A 11 -4.644 -10.370 5.753 1.00 10.18 C ATOM 171 O LYS A 11 -4.407 -9.162 6.041 1.00 9.10 O ATOM 172 CB LYS A 11 -6.820 -10.761 4.595 1.00 13.43 C ATOM 173 CG LYS A 11 -6.429 -11.766 3.428 1.00 16.69 C ATOM 174 CD LYS A 11 -7.191 -11.480 2.157 1.00 17.92 C ATOM 175 CE LYS A 11 -6.853 -12.515 0.990 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.468 -12.113 -0.249 1.00 21.93 N ATOM 0 H LYS A 11 -7.313 -9.652 6.756 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.888 -12.094 6.058 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.883 -10.857 4.814 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.654 -9.737 4.261 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.359 -11.696 3.233 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.629 -12.789 3.748 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.261 -11.510 2.365 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.960 -10.470 1.819 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.773 -12.582 0.859 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.202 -13.509 1.268 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.011 -12.909 -0.641 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.106 -11.310 -0.075 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.731 -11.829 -0.926 1.00 21.93 H new ATOM 190 N THR A 12 -3.631 -11.210 5.389 1.00 9.63 N ATOM 191 CA THR A 12 -2.299 -10.687 5.097 1.00 9.85 C ATOM 192 C THR A 12 -1.812 -11.195 3.795 1.00 11.66 C ATOM 193 O THR A 12 -1.636 -12.415 3.570 1.00 12.33 O ATOM 194 CB THR A 12 -1.133 -11.136 5.951 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.552 -10.838 7.279 1.00 10.91 O ATOM 196 CG2 THR A 12 0.098 -10.208 5.717 1.00 9.63 C ATOM 0 H THR A 12 -3.725 -12.222 5.298 1.00 9.63 H new ATOM 0 HA THR A 12 -2.499 -9.623 5.220 1.00 9.85 H new ATOM 0 HB THR A 12 -0.873 -12.174 5.745 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.145 -11.476 7.901 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.929 -10.543 6.338 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.390 -10.248 4.668 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.163 -9.183 5.982 1.00 9.63 H new ATOM 204 N ILE A 13 -1.622 -10.346 2.772 1.00 10.42 N ATOM 205 CA ILE A 13 -1.217 -10.770 1.425 1.00 11.84 C ATOM 206 C ILE A 13 0.226 -10.377 1.168 1.00 10.55 C ATOM 207 O ILE A 13 0.664 -9.369 1.688 1.00 11.92 O ATOM 208 CB ILE A 13 -2.146 -10.229 0.353 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.163 -8.728 0.146 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.573 -10.799 0.465 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.164 -8.134 -0.801 1.00 16.46 C ATOM 0 H ILE A 13 -1.747 -9.337 2.859 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.293 -11.856 1.375 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.683 -10.605 -0.560 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.316 -8.264 1.120 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.171 -8.432 -0.196 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.196 -10.379 -0.325 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.540 -11.884 0.364 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.994 -10.538 1.436 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.039 -7.052 -0.831 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.009 -8.545 -1.799 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.172 -8.374 -0.462 1.00 16.46 H new ATOM 223 N THR A 14 1.002 -11.154 0.389 1.00 9.39 N ATOM 224 CA THR A 14 2.330 -10.883 -0.003 1.00 9.63 C ATOM 225 C THR A 14 2.345 -10.254 -1.441 1.00 11.20 C ATOM 226 O THR A 14 1.558 -10.778 -2.211 1.00 11.63 O ATOM 227 CB THR A 14 3.231 -12.122 0.004 1.00 10.38 C ATOM 228 OG1 THR A 14 3.160 -12.687 1.303 1.00 16.30 O ATOM 229 CG2 THR A 14 4.673 -11.825 -0.301 1.00 11.66 C ATOM 0 H THR A 14 0.662 -12.038 0.010 1.00 9.39 H new ATOM 0 HA THR A 14 2.729 -10.186 0.733 1.00 9.63 H new ATOM 0 HB THR A 14 2.877 -12.793 -0.778 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.892 -12.337 1.853 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.248 -12.751 -0.278 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.750 -11.375 -1.291 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.068 -11.134 0.444 1.00 11.66 H new ATOM 237 N LEU A 15 3.117 -9.179 -1.748 1.00 8.29 N ATOM 238 CA LEU A 15 3.246 -8.563 -3.014 1.00 9.03 C ATOM 239 C LEU A 15 4.685 -8.562 -3.539 1.00 8.59 C ATOM 240 O LEU A 15 5.662 -8.266 -2.837 1.00 7.79 O ATOM 241 CB LEU A 15 2.797 -7.062 -3.005 1.00 11.08 C ATOM 242 CG LEU A 15 1.329 -6.934 -2.600 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.005 -5.398 -2.592 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.261 -7.738 -3.336 1.00 15.27 C ATOM 0 H LEU A 15 3.689 -8.718 -1.040 1.00 8.29 H new ATOM 0 HA LEU A 15 2.601 -9.164 -3.655 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.420 -6.496 -2.312 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.945 -6.628 -3.994 1.00 11.08 H new ATOM 0 HG LEU A 15 1.258 -7.417 -1.625 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.036 -5.247 -2.308 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.653 -4.893 -1.876 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.173 -4.986 -3.587 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.718 -7.517 -2.911 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.267 -7.469 -4.392 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.471 -8.803 -3.232 1.00 15.27 H new ATOM 256 N GLU A 16 4.858 -8.959 -4.797 1.00 11.04 N ATOM 257 CA GLU A 16 6.127 -8.845 -5.429 1.00 11.50 C ATOM 258 C GLU A 16 6.269 -7.494 -6.008 1.00 10.13 C ATOM 259 O GLU A 16 5.598 -7.165 -7.014 1.00 9.83 O ATOM 260 CB GLU A 16 6.192 -9.972 -6.479 1.00 17.22 C ATOM 261 CG GLU A 16 7.493 -10.157 -7.292 1.00 23.33 C ATOM 262 CD GLU A 16 8.755 -10.369 -6.432 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.032 -11.491 -5.919 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.553 -9.452 -6.359 1.00 28.90 O ATOM 0 H GLU A 16 4.124 -9.359 -5.381 1.00 11.04 H new ATOM 0 HA GLU A 16 6.959 -8.960 -4.735 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.986 -10.912 -5.967 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.380 -9.810 -7.188 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.373 -11.012 -7.957 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.641 -9.281 -7.923 1.00 23.33 H new ATOM 271 N VAL A 17 7.059 -6.601 -5.369 1.00 8.99 N ATOM 272 CA VAL A 17 7.244 -5.239 -5.799 1.00 8.85 C ATOM 273 C VAL A 17 8.726 -4.842 -5.809 1.00 8.04 C ATOM 274 O VAL A 17 9.487 -5.458 -5.080 1.00 8.99 O ATOM 275 CB VAL A 17 6.422 -4.206 -4.961 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.914 -4.419 -5.207 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.756 -4.388 -3.474 1.00 10.54 C ATOM 0 H VAL A 17 7.586 -6.833 -4.527 1.00 8.99 H new ATOM 0 HA VAL A 17 6.860 -5.207 -6.819 1.00 8.85 H new ATOM 0 HB VAL A 17 6.681 -3.191 -5.263 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.344 -3.697 -4.621 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.695 -4.281 -6.266 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.636 -5.430 -4.908 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.187 -3.671 -2.883 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.497 -5.401 -3.164 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.822 -4.222 -3.318 1.00 10.54 H new ATOM 287 N GLU A 18 9.087 -3.796 -6.602 1.00 7.29 N ATOM 288 CA GLU A 18 10.398 -3.228 -6.659 1.00 7.08 C ATOM 289 C GLU A 18 10.442 -1.927 -5.863 1.00 6.45 C ATOM 290 O GLU A 18 9.494 -1.126 -5.958 1.00 5.28 O ATOM 291 CB GLU A 18 10.862 -3.085 -8.120 1.00 10.28 C ATOM 292 CG GLU A 18 11.086 -4.469 -8.788 1.00 12.65 C ATOM 293 CD GLU A 18 11.987 -5.395 -7.982 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.115 -4.985 -7.601 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.592 -6.572 -7.801 1.00 18.17 O ATOM 0 H GLU A 18 8.427 -3.333 -7.227 1.00 7.29 H new ATOM 0 HA GLU A 18 11.115 -3.898 -6.185 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.118 -2.524 -8.685 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.788 -2.510 -8.154 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.120 -4.953 -8.935 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.522 -4.320 -9.776 1.00 12.65 H new ATOM 302 N PRO A 19 11.492 -1.554 -5.132 1.00 7.24 N ATOM 303 CA PRO A 19 11.441 -0.486 -4.135 1.00 7.07 C ATOM 304 C PRO A 19 11.347 0.869 -4.883 1.00 6.65 C ATOM 305 O PRO A 19 10.942 1.828 -4.237 1.00 6.37 O ATOM 306 CB PRO A 19 12.743 -0.690 -3.388 1.00 7.61 C ATOM 307 CG PRO A 19 13.700 -1.422 -4.380 1.00 8.16 C ATOM 308 CD PRO A 19 12.756 -2.289 -5.140 1.00 7.49 C ATOM 0 HA PRO A 19 10.592 -0.495 -3.451 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.165 0.264 -3.072 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.587 -1.284 -2.487 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.225 -0.723 -5.031 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.460 -2.005 -3.859 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.108 -2.462 -6.157 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.649 -3.266 -4.670 1.00 7.49 H new ATOM 316 N SER A 20 11.674 0.872 -6.174 1.00 6.80 N ATOM 317 CA SER A 20 11.565 2.049 -7.010 1.00 6.28 C ATOM 318 C SER A 20 10.214 2.287 -7.571 1.00 8.45 C ATOM 319 O SER A 20 9.921 3.303 -8.165 1.00 7.26 O ATOM 320 CB SER A 20 12.451 1.981 -8.238 1.00 8.57 C ATOM 321 OG SER A 20 12.344 0.706 -8.913 1.00 11.13 O ATOM 0 H SER A 20 12.023 0.049 -6.665 1.00 6.80 H new ATOM 0 HA SER A 20 11.851 2.840 -6.317 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.178 2.780 -8.927 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.488 2.151 -7.947 1.00 8.57 H new ATOM 0 HG SER A 20 12.928 0.702 -9.700 1.00 11.13 H new ATOM 327 N ASP A 21 9.279 1.345 -7.407 1.00 7.50 N ATOM 328 CA ASP A 21 7.928 1.547 -7.832 1.00 7.70 C ATOM 329 C ASP A 21 7.170 2.515 -6.946 1.00 7.08 C ATOM 330 O ASP A 21 7.334 2.494 -5.700 1.00 8.11 O ATOM 331 CB ASP A 21 7.280 0.140 -7.780 1.00 11.00 C ATOM 332 CG ASP A 21 7.645 -0.781 -8.930 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.960 -0.304 -10.071 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.581 -2.001 -8.678 1.00 18.03 O ATOM 0 H ASP A 21 9.455 0.436 -6.978 1.00 7.50 H new ATOM 0 HA ASP A 21 7.900 1.993 -8.826 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.567 -0.341 -6.845 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.196 0.257 -7.759 1.00 11.00 H new ATOM 339 N THR A 22 6.277 3.335 -7.541 1.00 5.37 N ATOM 340 CA THR A 22 5.397 4.244 -6.894 1.00 6.01 C ATOM 341 C THR A 22 4.333 3.541 -6.087 1.00 8.01 C ATOM 342 O THR A 22 3.854 2.483 -6.380 1.00 8.11 O ATOM 343 CB THR A 22 4.666 5.232 -7.815 1.00 8.92 C ATOM 344 OG1 THR A 22 3.965 4.588 -8.896 1.00 10.22 O ATOM 345 CG2 THR A 22 5.614 6.275 -8.381 1.00 9.65 C ATOM 0 H THR A 22 6.170 3.356 -8.555 1.00 5.37 H new ATOM 0 HA THR A 22 6.082 4.807 -6.260 1.00 6.01 H new ATOM 0 HB THR A 22 3.925 5.720 -7.182 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.519 5.265 -9.446 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.061 6.956 -9.028 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.066 6.837 -7.564 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.396 5.781 -8.958 1.00 9.65 H new ATOM 353 N ILE A 23 3.793 4.238 -5.088 1.00 8.32 N ATOM 354 CA ILE A 23 2.685 3.883 -4.266 1.00 9.92 C ATOM 355 C ILE A 23 1.403 3.800 -5.108 1.00 10.01 C ATOM 356 O ILE A 23 0.605 2.828 -4.943 1.00 8.71 O ATOM 357 CB ILE A 23 2.626 4.764 -3.023 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.864 4.528 -2.108 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.300 4.467 -2.337 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.853 3.264 -1.313 1.00 12.30 C ATOM 0 H ILE A 23 4.172 5.148 -4.826 1.00 8.32 H new ATOM 0 HA ILE A 23 2.809 2.878 -3.863 1.00 9.92 H new ATOM 0 HB ILE A 23 2.669 5.823 -3.278 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.759 4.536 -2.730 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.948 5.368 -1.418 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.211 5.076 -1.438 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.479 4.700 -3.016 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.259 3.412 -2.066 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.761 3.203 -0.713 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.983 3.255 -0.656 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.807 2.410 -1.988 1.00 12.30 H new ATOM 372 N GLU A 24 1.142 4.716 -5.999 1.00 9.54 N ATOM 373 CA GLU A 24 0.050 4.515 -6.970 1.00 11.81 C ATOM 374 C GLU A 24 0.152 3.127 -7.719 1.00 11.14 C ATOM 375 O GLU A 24 -0.795 2.327 -7.891 1.00 10.62 O ATOM 376 CB GLU A 24 0.140 5.568 -8.070 1.00 19.24 C ATOM 377 CG GLU A 24 -0.969 5.362 -9.201 1.00 27.76 C ATOM 378 CD GLU A 24 -0.916 6.474 -10.238 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.114 7.233 -10.293 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.900 6.634 -11.020 1.00 34.80 O ATOM 0 H GLU A 24 1.646 5.598 -6.090 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.875 4.570 -6.396 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.028 6.559 -7.631 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.130 5.531 -8.525 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.819 4.399 -9.689 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.958 5.336 -8.743 1.00 27.76 H new ATOM 387 N ASN A 25 1.344 2.811 -8.187 1.00 9.43 N ATOM 388 CA ASN A 25 1.644 1.488 -8.754 1.00 10.96 C ATOM 389 C ASN A 25 1.498 0.221 -7.819 1.00 9.68 C ATOM 390 O ASN A 25 0.933 -0.803 -8.243 1.00 9.33 O ATOM 391 CB ASN A 25 3.117 1.576 -9.355 1.00 16.78 C ATOM 392 CG ASN A 25 3.385 0.446 -10.360 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.496 -0.050 -11.057 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.631 -0.062 -10.340 1.00 24.70 N ATOM 0 H ASN A 25 2.136 3.453 -8.190 1.00 9.43 H new ATOM 0 HA ASN A 25 0.868 1.298 -9.495 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.254 2.540 -9.845 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.845 1.524 -8.545 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.859 -0.876 -10.910 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.347 0.367 -9.755 1.00 24.70 H new ATOM 401 N VAL A 26 1.815 0.389 -6.505 1.00 6.52 N ATOM 402 CA VAL A 26 1.528 -0.600 -5.511 1.00 5.53 C ATOM 403 C VAL A 26 0.059 -0.768 -5.255 1.00 4.42 C ATOM 404 O VAL A 26 -0.447 -1.935 -5.208 1.00 3.40 O ATOM 405 CB VAL A 26 2.241 -0.201 -4.184 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.087 -1.321 -3.164 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.768 -0.105 -4.457 1.00 8.12 C ATOM 0 H VAL A 26 2.275 1.223 -6.139 1.00 6.52 H new ATOM 0 HA VAL A 26 1.895 -1.555 -5.886 1.00 5.53 H new ATOM 0 HB VAL A 26 1.814 0.735 -3.824 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.586 -1.040 -2.237 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.028 -1.492 -2.969 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.536 -2.234 -3.555 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.285 0.174 -3.539 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.137 -1.071 -4.803 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.954 0.649 -5.221 1.00 8.12 H new ATOM 417 N LYS A 27 -0.658 0.337 -5.121 1.00 2.64 N ATOM 418 CA LYS A 27 -2.062 0.267 -4.952 1.00 4.14 C ATOM 419 C LYS A 27 -2.797 -0.275 -6.130 1.00 5.58 C ATOM 420 O LYS A 27 -3.842 -0.900 -5.957 1.00 4.11 O ATOM 421 CB LYS A 27 -2.614 1.641 -4.543 1.00 3.97 C ATOM 422 CG LYS A 27 -2.191 2.076 -3.124 1.00 7.45 C ATOM 423 CD LYS A 27 -3.007 3.279 -2.622 1.00 9.02 C ATOM 424 CE LYS A 27 -2.614 4.548 -3.385 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.089 5.764 -2.674 1.00 15.47 N ATOM 0 H LYS A 27 -0.272 1.281 -5.129 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.235 -0.454 -4.153 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.274 2.388 -5.260 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.702 1.618 -4.598 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.317 1.240 -2.436 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.131 2.332 -3.124 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.071 3.084 -2.752 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.837 3.422 -1.555 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.531 4.588 -3.498 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.038 4.520 -4.389 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.389 6.526 -2.783 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.998 6.069 -3.077 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.212 5.550 -1.664 1.00 15.47 H new ATOM 439 N ALA A 28 -2.268 -0.097 -7.363 1.00 6.61 N ATOM 440 CA ALA A 28 -2.755 -0.774 -8.550 1.00 7.74 C ATOM 441 C ALA A 28 -2.573 -2.283 -8.493 1.00 9.17 C ATOM 442 O ALA A 28 -3.426 -3.018 -8.910 1.00 11.45 O ATOM 443 CB ALA A 28 -1.978 -0.192 -9.759 1.00 7.68 C ATOM 0 H ALA A 28 -1.484 0.530 -7.545 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.829 -0.606 -8.635 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.315 -0.676 -10.675 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.161 0.880 -9.827 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.911 -0.371 -9.626 1.00 7.68 H new ATOM 449 N LYS A 29 -1.442 -2.753 -7.890 1.00 8.96 N ATOM 450 CA LYS A 29 -1.247 -4.180 -7.627 1.00 7.90 C ATOM 451 C LYS A 29 -2.254 -4.658 -6.707 1.00 6.92 C ATOM 452 O LYS A 29 -2.814 -5.747 -6.878 1.00 6.87 O ATOM 453 CB LYS A 29 0.183 -4.406 -7.260 1.00 10.28 C ATOM 454 CG LYS A 29 0.547 -5.886 -7.073 1.00 14.94 C ATOM 455 CD LYS A 29 2.001 -6.075 -7.186 1.00 19.69 C ATOM 456 CE LYS A 29 2.651 -5.933 -8.608 1.00 22.63 C ATOM 457 NZ LYS A 29 2.289 -7.026 -9.584 1.00 24.98 N ATOM 0 H LYS A 29 -0.670 -2.159 -7.586 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.407 -4.799 -8.510 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.819 -3.980 -8.036 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.401 -3.868 -6.337 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.204 -6.231 -6.098 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.036 -6.490 -7.823 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.484 -5.356 -6.524 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.240 -7.069 -6.807 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.355 -4.974 -9.033 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.735 -5.911 -8.495 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.762 -6.850 -10.493 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.596 -7.945 -9.206 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.259 -7.037 -9.726 1.00 24.98 H new ATOM 471 N ILE A 30 -2.517 -3.937 -5.561 1.00 4.57 N ATOM 472 CA ILE A 30 -3.602 -4.277 -4.609 1.00 5.58 C ATOM 473 C ILE A 30 -4.931 -4.292 -5.343 1.00 7.26 C ATOM 474 O ILE A 30 -5.741 -5.200 -5.102 1.00 9.46 O ATOM 475 CB ILE A 30 -3.568 -3.413 -3.360 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.340 -3.708 -2.493 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.875 -3.596 -2.648 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.086 -2.794 -1.314 1.00 2.00 C ATOM 0 H ILE A 30 -1.979 -3.114 -5.288 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.447 -5.284 -4.222 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.458 -2.360 -3.620 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.430 -4.727 -2.116 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.460 -3.682 -3.135 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.885 -2.988 -1.743 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.691 -3.288 -3.301 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.000 -4.645 -2.381 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.187 -3.118 -0.790 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.951 -1.772 -1.668 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.937 -2.833 -0.634 1.00 2.00 H new ATOM 490 N GLN A 31 -5.273 -3.274 -6.244 1.00 7.06 N ATOM 491 CA GLN A 31 -6.527 -3.301 -7.020 1.00 8.67 C ATOM 492 C GLN A 31 -6.678 -4.564 -7.937 1.00 10.90 C ATOM 493 O GLN A 31 -7.753 -5.190 -7.918 1.00 9.63 O ATOM 494 CB GLN A 31 -6.686 -2.111 -7.960 1.00 9.12 C ATOM 495 CG GLN A 31 -7.882 -2.091 -8.938 1.00 10.76 C ATOM 496 CD GLN A 31 -8.023 -0.771 -9.668 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.015 -0.108 -9.881 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.258 -0.461 -10.126 1.00 14.76 N ATOM 0 H GLN A 31 -4.689 -2.457 -6.423 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.283 -3.293 -6.235 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.746 -1.212 -7.347 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.774 -2.034 -8.552 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.763 -2.893 -9.667 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.800 -2.296 -8.386 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.050 -1.065 -9.906 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.397 0.376 -10.692 1.00 14.76 H new ATOM 507 N ASP A 32 -5.637 -4.890 -8.719 1.00 10.93 N ATOM 508 CA ASP A 32 -5.697 -5.966 -9.682 1.00 14.01 C ATOM 509 C ASP A 32 -5.811 -7.369 -8.925 1.00 14.04 C ATOM 510 O ASP A 32 -6.620 -8.268 -9.304 1.00 13.39 O ATOM 511 CB ASP A 32 -4.457 -6.016 -10.652 1.00 18.01 C ATOM 512 CG ASP A 32 -4.730 -6.884 -11.879 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.413 -6.411 -12.821 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.238 -8.024 -11.823 1.00 26.29 O ATOM 0 H ASP A 32 -4.739 -4.408 -8.691 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.579 -5.774 -10.293 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.204 -5.005 -10.971 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.592 -6.406 -10.116 1.00 18.01 H new ATOM 519 N LYS A 33 -5.117 -7.575 -7.815 1.00 14.22 N ATOM 520 CA LYS A 33 -5.177 -8.818 -7.085 1.00 14.00 C ATOM 521 C LYS A 33 -6.428 -8.967 -6.220 1.00 12.37 C ATOM 522 O LYS A 33 -7.188 -9.926 -6.322 1.00 12.17 O ATOM 523 CB LYS A 33 -3.947 -8.833 -6.136 1.00 18.62 C ATOM 524 CG LYS A 33 -3.822 -10.101 -5.249 1.00 24.00 C ATOM 525 CD LYS A 33 -2.545 -10.049 -4.342 1.00 27.61 C ATOM 526 CE LYS A 33 -2.194 -11.394 -3.635 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.690 -12.484 -4.473 1.00 30.06 N ATOM 0 H LYS A 33 -4.497 -6.879 -7.400 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.193 -9.632 -7.809 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.042 -8.736 -6.736 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.995 -7.958 -5.488 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.709 -10.197 -4.623 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.782 -10.987 -5.883 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.695 -9.742 -4.951 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.687 -9.281 -3.582 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.448 -11.187 -2.868 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.088 -11.749 -3.123 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.497 -13.317 -3.880 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.402 -12.728 -5.191 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.813 -12.183 -4.944 1.00 30.06 H new ATOM 541 N GLU A 34 -6.757 -7.987 -5.350 1.00 10.11 N ATOM 542 CA GLU A 34 -7.800 -8.149 -4.351 1.00 10.07 C ATOM 543 C GLU A 34 -9.070 -7.348 -4.660 1.00 9.32 C ATOM 544 O GLU A 34 -9.929 -7.243 -3.777 1.00 11.61 O ATOM 545 CB GLU A 34 -7.371 -7.508 -3.052 1.00 14.77 C ATOM 546 CG GLU A 34 -6.075 -8.159 -2.470 1.00 18.75 C ATOM 547 CD GLU A 34 -6.429 -9.448 -1.732 1.00 22.28 C ATOM 548 OE1 GLU A 34 -6.537 -10.534 -2.334 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.665 -9.420 -0.505 1.00 21.95 O ATOM 0 H GLU A 34 -6.303 -7.074 -5.332 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.976 -9.224 -4.321 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.199 -6.444 -3.214 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.177 -7.594 -2.323 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.371 -8.372 -3.275 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.582 -7.464 -1.790 1.00 18.75 H new ATOM 556 N GLY A 35 -9.218 -6.784 -5.850 1.00 7.22 N ATOM 557 CA GLY A 35 -10.521 -6.454 -6.427 1.00 6.29 C ATOM 558 C GLY A 35 -10.973 -5.100 -5.914 1.00 6.93 C ATOM 559 O GLY A 35 -12.123 -4.741 -6.091 1.00 7.41 O ATOM 0 H GLY A 35 -8.431 -6.539 -6.451 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.456 -6.439 -7.515 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.252 -7.218 -6.162 1.00 6.29 H new ATOM 563 N ILE A 36 -10.093 -4.314 -5.243 1.00 5.86 N ATOM 564 CA ILE A 36 -10.419 -3.025 -4.560 1.00 6.07 C ATOM 565 C ILE A 36 -9.978 -1.757 -5.399 1.00 6.36 C ATOM 566 O ILE A 36 -8.786 -1.565 -5.497 1.00 6.18 O ATOM 567 CB ILE A 36 -9.767 -2.880 -3.196 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.984 -4.165 -2.361 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.409 -1.657 -2.496 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.389 -4.075 -0.942 1.00 9.49 C ATOM 0 H ILE A 36 -9.107 -4.562 -5.157 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.503 -3.065 -4.456 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.692 -2.732 -3.298 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.053 -4.367 -2.288 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.535 -5.010 -2.883 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.961 -1.525 -1.511 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.237 -0.763 -3.095 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.481 -1.821 -2.388 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.575 -5.008 -0.409 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.315 -3.903 -1.008 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.856 -3.250 -0.403 1.00 9.49 H new ATOM 582 N PRO A 37 -10.825 -0.930 -6.039 1.00 8.65 N ATOM 583 CA PRO A 37 -10.509 0.448 -6.476 1.00 9.18 C ATOM 584 C PRO A 37 -9.549 1.265 -5.591 1.00 9.85 C ATOM 585 O PRO A 37 -9.716 1.316 -4.375 1.00 8.51 O ATOM 586 CB PRO A 37 -11.875 1.083 -6.672 1.00 11.42 C ATOM 587 CG PRO A 37 -12.761 -0.101 -7.131 1.00 9.27 C ATOM 588 CD PRO A 37 -12.299 -1.179 -6.181 1.00 8.33 C ATOM 0 HA PRO A 37 -9.908 0.427 -7.385 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.247 1.528 -5.749 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.846 1.876 -7.419 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.825 0.114 -7.028 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.589 -0.367 -8.174 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.810 -1.110 -5.221 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.499 -2.174 -6.578 1.00 8.33 H new ATOM 596 N PRO A 38 -8.606 2.072 -6.092 1.00 8.71 N ATOM 597 CA PRO A 38 -7.606 2.740 -5.256 1.00 9.08 C ATOM 598 C PRO A 38 -8.180 3.882 -4.348 1.00 9.28 C ATOM 599 O PRO A 38 -7.487 4.302 -3.398 1.00 6.50 O ATOM 600 CB PRO A 38 -6.516 3.283 -6.246 1.00 10.31 C ATOM 601 CG PRO A 38 -7.139 3.154 -7.661 1.00 10.81 C ATOM 602 CD PRO A 38 -8.202 2.076 -7.483 1.00 12.00 C ATOM 0 HA PRO A 38 -7.198 2.028 -4.539 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.264 4.319 -6.022 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.594 2.706 -6.169 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.574 4.096 -7.996 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.394 2.865 -8.403 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.058 2.275 -8.128 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.807 1.101 -7.768 1.00 12.00 H new ATOM 610 N ASP A 39 -9.336 4.399 -4.709 1.00 11.20 N ATOM 611 CA ASP A 39 -9.970 5.423 -3.909 1.00 14.96 C ATOM 612 C ASP A 39 -10.698 4.828 -2.701 1.00 13.99 C ATOM 613 O ASP A 39 -11.164 5.581 -1.802 1.00 13.75 O ATOM 614 CB ASP A 39 -10.978 6.282 -4.692 1.00 24.16 C ATOM 615 CG ASP A 39 -10.232 7.149 -5.713 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.498 8.022 -5.371 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.481 6.829 -6.915 1.00 34.22 O ATOM 0 H ASP A 39 -9.852 4.128 -5.546 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.149 6.062 -3.585 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.698 5.642 -5.201 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.542 6.914 -4.006 1.00 24.16 H new ATOM 622 N GLN A 40 -10.863 3.499 -2.669 1.00 11.60 N ATOM 623 CA GLN A 40 -11.384 2.886 -1.418 1.00 10.76 C ATOM 624 C GLN A 40 -10.203 2.537 -0.567 1.00 8.01 C ATOM 625 O GLN A 40 -10.384 1.942 0.490 1.00 8.96 O ATOM 626 CB GLN A 40 -12.224 1.620 -1.747 1.00 11.14 C ATOM 627 CG GLN A 40 -13.629 1.927 -2.289 1.00 14.85 C ATOM 628 CD GLN A 40 -14.549 0.674 -2.644 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.148 -0.463 -2.826 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.913 0.938 -2.712 1.00 18.16 N ATOM 0 H GLN A 40 -10.662 2.855 -3.434 1.00 11.60 H new ATOM 0 HA GLN A 40 -12.038 3.580 -0.889 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.686 1.020 -2.480 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.318 1.014 -0.846 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.153 2.536 -1.552 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.522 2.536 -3.187 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -16.257 1.886 -2.561 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.569 0.183 -2.913 1.00 18.16 H new ATOM 639 N GLN A 41 -9.027 2.835 -1.000 1.00 6.52 N ATOM 640 CA GLN A 41 -7.808 2.378 -0.370 1.00 3.87 C ATOM 641 C GLN A 41 -7.062 3.512 0.231 1.00 4.79 C ATOM 642 O GLN A 41 -6.987 4.611 -0.334 1.00 6.34 O ATOM 643 CB GLN A 41 -6.873 1.637 -1.426 1.00 4.20 C ATOM 644 CG GLN A 41 -7.281 0.380 -2.240 1.00 3.20 C ATOM 645 CD GLN A 41 -6.042 -0.139 -3.060 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.939 0.004 -2.528 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.258 -0.773 -4.213 1.00 7.13 N ATOM 0 H GLN A 41 -8.868 3.417 -1.822 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.088 1.679 0.418 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.591 2.392 -2.160 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.967 1.364 -0.886 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.639 -0.401 -1.569 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.102 0.621 -2.915 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.205 -0.847 -4.585 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.476 -1.184 -4.723 1.00 7.13 H new ATOM 656 N ARG A 42 -6.394 3.246 1.381 1.00 5.73 N ATOM 657 CA ARG A 42 -5.444 4.050 2.061 1.00 6.97 C ATOM 658 C ARG A 42 -4.413 3.154 2.830 1.00 7.15 C ATOM 659 O ARG A 42 -4.724 2.083 3.319 1.00 7.33 O ATOM 660 CB ARG A 42 -6.163 4.989 3.115 1.00 13.23 C ATOM 661 CG ARG A 42 -5.253 5.941 3.914 1.00 21.27 C ATOM 662 CD ARG A 42 -5.963 6.319 5.224 1.00 26.14 C ATOM 663 NE ARG A 42 -7.158 7.120 4.836 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.288 7.242 5.488 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.447 6.674 6.678 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.312 7.799 4.873 1.00 36.39 N ATOM 0 H ARG A 42 -6.549 2.367 1.874 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.929 4.653 1.313 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.906 5.588 2.589 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.703 4.359 3.822 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.298 5.461 4.127 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.037 6.836 3.330 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.256 5.428 5.779 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.302 6.895 5.872 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.088 7.635 3.958 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.685 6.137 7.093 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.331 6.775 7.177 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.214 8.124 3.911 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.202 7.905 5.359 1.00 36.39 H new ATOM 680 N LEU A 43 -3.112 3.551 2.883 1.00 4.65 N ATOM 681 CA LEU A 43 -1.942 2.834 3.376 1.00 3.51 C ATOM 682 C LEU A 43 -1.223 3.542 4.467 1.00 5.56 C ATOM 683 O LEU A 43 -0.835 4.713 4.292 1.00 4.19 O ATOM 684 CB LEU A 43 -0.921 2.574 2.283 1.00 3.74 C ATOM 685 CG LEU A 43 -1.358 1.610 1.241 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.271 1.626 0.119 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.535 0.196 1.841 1.00 6.41 C ATOM 0 H LEU A 43 -2.849 4.476 2.543 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.357 1.900 3.756 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.675 3.521 1.802 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.005 2.202 2.742 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.327 1.893 0.830 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.553 0.929 -0.670 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.191 2.631 -0.296 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.690 1.329 0.539 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.855 -0.493 1.060 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.587 -0.144 2.258 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.288 0.227 2.629 1.00 6.41 H new ATOM 699 N ILE A 44 -1.020 2.848 5.587 1.00 4.58 N ATOM 700 CA ILE A 44 -0.334 3.357 6.775 1.00 5.55 C ATOM 701 C ILE A 44 0.922 2.535 7.026 1.00 5.46 C ATOM 702 O ILE A 44 0.890 1.308 7.110 1.00 6.04 O ATOM 703 CB ILE A 44 -1.233 3.383 8.040 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.545 4.251 7.817 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.474 3.811 9.346 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.346 5.687 7.448 1.00 13.90 C ATOM 0 H ILE A 44 -1.339 1.885 5.696 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.069 4.395 6.575 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.538 2.349 8.199 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.137 3.777 7.034 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.137 4.214 8.731 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.167 3.806 10.188 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.339 3.111 9.541 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.066 4.814 9.218 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.316 6.169 7.324 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.788 6.192 8.237 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.788 5.749 6.513 1.00 13.90 H new ATOM 718 N PHE A 45 2.141 3.154 7.048 1.00 6.75 N ATOM 719 CA PHE A 45 3.380 2.451 7.477 1.00 4.70 C ATOM 720 C PHE A 45 4.122 3.588 8.117 1.00 6.34 C ATOM 721 O PHE A 45 3.987 4.700 7.672 1.00 5.45 O ATOM 722 CB PHE A 45 4.190 1.947 6.243 1.00 5.51 C ATOM 723 CG PHE A 45 5.613 1.561 6.537 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.861 0.253 7.033 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.711 2.370 6.193 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.141 -0.152 7.315 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.986 1.909 6.513 1.00 6.64 C ATOM 728 CZ PHE A 45 8.211 0.606 7.085 1.00 6.84 C ATOM 0 H PHE A 45 2.286 4.126 6.776 1.00 6.75 H new ATOM 0 HA PHE A 45 3.206 1.578 8.106 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.676 1.086 5.816 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.190 2.728 5.483 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.036 -0.427 7.189 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.570 3.319 5.696 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.288 -1.132 7.744 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.835 2.550 6.326 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.207 0.258 7.318 1.00 6.84 H new ATOM 738 N ALA A 46 4.807 3.349 9.284 1.00 6.53 N ATOM 739 CA ALA A 46 5.549 4.322 10.050 1.00 7.15 C ATOM 740 C ALA A 46 4.641 5.259 10.820 1.00 9.00 C ATOM 741 O ALA A 46 5.109 6.238 11.427 1.00 11.15 O ATOM 742 CB ALA A 46 6.629 5.129 9.220 1.00 8.99 C ATOM 0 H ALA A 46 4.837 2.421 9.706 1.00 6.53 H new ATOM 0 HA ALA A 46 6.114 3.726 10.767 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.137 5.836 9.875 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.358 4.436 8.800 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.137 5.671 8.413 1.00 8.99 H new ATOM 748 N GLY A 47 3.333 4.904 10.786 1.00 9.35 N ATOM 749 CA GLY A 47 2.230 5.759 11.256 1.00 11.68 C ATOM 750 C GLY A 47 1.844 6.796 10.270 1.00 11.14 C ATOM 751 O GLY A 47 0.973 7.611 10.507 1.00 13.93 O ATOM 0 H GLY A 47 3.017 4.003 10.426 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.364 5.136 11.479 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.523 6.242 12.188 1.00 11.68 H new ATOM 755 N LYS A 48 2.416 6.809 9.053 1.00 10.47 N ATOM 756 CA LYS A 48 2.263 7.863 8.049 1.00 8.82 C ATOM 757 C LYS A 48 1.400 7.407 6.854 1.00 7.68 C ATOM 758 O LYS A 48 1.408 6.275 6.394 1.00 6.47 O ATOM 759 CB LYS A 48 3.589 8.231 7.462 1.00 9.74 C ATOM 760 CG LYS A 48 4.559 8.941 8.380 1.00 14.14 C ATOM 761 CD LYS A 48 5.954 9.058 7.606 1.00 16.32 C ATOM 762 CE LYS A 48 7.031 9.841 8.346 1.00 20.04 C ATOM 763 NZ LYS A 48 8.245 9.756 7.562 1.00 23.92 N ATOM 0 H LYS A 48 3.021 6.052 8.735 1.00 10.47 H new ATOM 0 HA LYS A 48 1.795 8.698 8.571 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.066 7.321 7.100 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.413 8.866 6.594 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.183 9.929 8.645 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.682 8.387 9.311 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.328 8.054 7.405 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.779 9.532 6.640 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.729 10.881 8.475 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.188 9.429 9.343 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.004 10.282 8.040 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.524 8.759 7.462 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.080 10.166 6.621 1.00 23.92 H new ATOM 777 N GLN A 49 0.524 8.332 6.408 1.00 8.89 N ATOM 778 CA GLN A 49 -0.322 8.025 5.224 1.00 7.18 C ATOM 779 C GLN A 49 0.583 7.996 3.923 1.00 8.23 C ATOM 780 O GLN A 49 1.301 8.951 3.615 1.00 9.70 O ATOM 781 CB GLN A 49 -1.463 9.080 5.137 1.00 11.67 C ATOM 782 CG GLN A 49 -2.341 8.895 3.829 1.00 15.82 C ATOM 783 CD GLN A 49 -3.490 9.876 3.871 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.672 9.525 3.902 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.160 11.188 3.858 1.00 20.67 N ATOM 0 H GLN A 49 0.383 9.254 6.821 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.784 7.042 5.315 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.101 8.998 6.017 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.033 10.082 5.147 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.733 9.063 2.940 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.718 7.874 3.769 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.179 11.467 3.832 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.892 11.898 3.874 1.00 20.67 H new ATOM 794 N LEU A 50 0.545 6.837 3.168 1.00 6.51 N ATOM 795 CA LEU A 50 1.540 6.743 2.064 1.00 7.41 C ATOM 796 C LEU A 50 0.920 7.415 0.775 1.00 8.27 C ATOM 797 O LEU A 50 -0.141 7.091 0.301 1.00 8.34 O ATOM 798 CB LEU A 50 1.846 5.240 1.699 1.00 7.13 C ATOM 799 CG LEU A 50 2.411 4.414 2.906 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.892 3.029 2.377 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.515 5.105 3.699 1.00 9.11 C ATOM 0 H LEU A 50 -0.090 6.048 3.290 1.00 6.51 H new ATOM 0 HA LEU A 50 2.457 7.235 2.388 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.932 4.767 1.339 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.564 5.211 0.879 1.00 7.13 H new ATOM 0 HG LEU A 50 1.596 4.303 3.621 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.288 2.441 3.205 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.052 2.500 1.926 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.672 3.176 1.630 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.840 4.456 4.512 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.359 5.314 3.042 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.136 6.040 4.111 1.00 9.11 H new ATOM 813 N GLU A 51 1.675 8.428 0.292 1.00 9.43 N ATOM 814 CA GLU A 51 1.288 9.317 -0.770 1.00 11.90 C ATOM 815 C GLU A 51 1.558 8.620 -2.069 1.00 11.49 C ATOM 816 O GLU A 51 2.656 8.069 -2.264 1.00 9.88 O ATOM 817 CB GLU A 51 2.057 10.661 -0.717 1.00 16.56 C ATOM 818 CG GLU A 51 1.401 11.699 0.186 1.00 26.06 C ATOM 819 CD GLU A 51 2.306 12.880 0.279 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.493 12.682 0.678 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.914 14.053 -0.126 1.00 33.44 O ATOM 0 H GLU A 51 2.602 8.637 0.662 1.00 9.43 H new ATOM 0 HA GLU A 51 0.230 9.558 -0.665 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.073 10.476 -0.367 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.136 11.066 -1.726 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.432 11.994 -0.217 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.220 11.281 1.176 1.00 26.06 H new ATOM 828 N ASP A 52 0.602 8.606 -2.994 1.00 12.71 N ATOM 829 CA ASP A 52 0.644 8.045 -4.348 1.00 16.56 C ATOM 830 C ASP A 52 1.919 8.259 -5.217 1.00 15.83 C ATOM 831 O ASP A 52 2.497 7.347 -5.823 1.00 17.21 O ATOM 832 CB ASP A 52 -0.607 8.545 -5.152 1.00 21.05 C ATOM 833 CG ASP A 52 -1.954 8.116 -4.566 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.137 8.233 -3.308 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.828 7.555 -5.305 1.00 28.37 O ATOM 0 H ASP A 52 -0.307 9.025 -2.800 1.00 12.71 H new ATOM 0 HA ASP A 52 0.654 6.971 -4.160 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.578 9.633 -5.203 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.536 8.176 -6.175 1.00 21.05 H new ATOM 840 N GLY A 53 2.306 9.549 -5.353 1.00 15.00 N ATOM 841 CA GLY A 53 3.443 9.920 -6.140 1.00 11.77 C ATOM 842 C GLY A 53 4.821 9.860 -5.488 1.00 11.10 C ATOM 843 O GLY A 53 5.820 10.525 -5.856 1.00 11.25 O ATOM 0 H GLY A 53 1.826 10.335 -4.914 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.463 9.277 -7.020 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.286 10.939 -6.493 1.00 11.77 H new ATOM 847 N ARG A 54 4.881 8.989 -4.476 1.00 8.53 N ATOM 848 CA ARG A 54 6.110 8.688 -3.754 1.00 9.05 C ATOM 849 C ARG A 54 6.370 7.210 -3.999 1.00 8.96 C ATOM 850 O ARG A 54 5.453 6.493 -4.440 1.00 11.60 O ATOM 851 CB ARG A 54 6.142 8.950 -2.222 1.00 7.97 C ATOM 852 CG ARG A 54 5.528 10.272 -1.619 1.00 9.62 C ATOM 853 CD ARG A 54 6.327 11.544 -1.783 1.00 12.20 C ATOM 854 NE ARG A 54 5.526 12.573 -1.075 1.00 18.23 N ATOM 855 CZ ARG A 54 5.725 13.907 -1.076 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.858 14.380 -1.498 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.832 14.697 -0.577 1.00 23.38 N ATOM 0 H ARG A 54 4.070 8.472 -4.136 1.00 8.53 H new ATOM 0 HA ARG A 54 6.864 9.378 -4.134 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.635 8.113 -1.743 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.186 8.910 -1.911 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.549 10.427 -2.073 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.363 10.112 -0.553 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.323 11.447 -1.350 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.460 11.797 -2.835 1.00 12.20 H new ATOM 0 HE ARG A 54 4.736 12.233 -0.526 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.586 13.745 -1.824 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.020 15.387 -1.503 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.974 14.312 -0.181 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.985 15.705 -0.579 1.00 23.38 H new ATOM 871 N THR A 55 7.596 6.754 -3.793 1.00 9.05 N ATOM 872 CA THR A 55 8.079 5.427 -4.126 1.00 9.03 C ATOM 873 C THR A 55 8.195 4.661 -2.819 1.00 8.15 C ATOM 874 O THR A 55 8.146 5.114 -1.678 1.00 5.91 O ATOM 875 CB THR A 55 9.377 5.256 -4.883 1.00 11.15 C ATOM 876 OG1 THR A 55 10.507 5.798 -4.209 1.00 11.95 O ATOM 877 CG2 THR A 55 9.246 5.960 -6.207 1.00 11.71 C ATOM 0 H THR A 55 8.318 7.333 -3.365 1.00 9.05 H new ATOM 0 HA THR A 55 7.345 5.064 -4.845 1.00 9.03 H new ATOM 0 HB THR A 55 9.546 4.184 -4.988 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.292 6.696 -3.880 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.172 5.850 -6.771 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.423 5.522 -6.772 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.048 7.018 -6.038 1.00 11.71 H new ATOM 885 N LEU A 56 8.411 3.333 -2.896 1.00 6.91 N ATOM 886 CA LEU A 56 8.685 2.511 -1.746 1.00 8.29 C ATOM 887 C LEU A 56 10.046 2.928 -1.030 1.00 8.05 C ATOM 888 O LEU A 56 10.173 2.873 0.196 1.00 10.17 O ATOM 889 CB LEU A 56 8.698 0.997 -1.992 1.00 6.60 C ATOM 890 CG LEU A 56 7.312 0.540 -2.469 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.382 -0.705 -3.383 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.311 0.323 -1.311 1.00 8.64 C ATOM 0 H LEU A 56 8.396 2.816 -3.775 1.00 6.91 H new ATOM 0 HA LEU A 56 7.831 2.707 -1.098 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.451 0.746 -2.739 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.970 0.472 -1.076 1.00 6.60 H new ATOM 0 HG LEU A 56 6.929 1.367 -3.067 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.375 -0.986 -3.692 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.982 -0.476 -4.264 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.839 -1.531 -2.838 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.351 0.001 -1.715 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.696 -0.442 -0.636 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.179 1.257 -0.764 1.00 8.64 H new ATOM 904 N SER A 57 11.048 3.256 -1.857 1.00 8.92 N ATOM 905 CA SER A 57 12.375 3.786 -1.376 1.00 9.00 C ATOM 906 C SER A 57 12.276 5.086 -0.510 1.00 9.44 C ATOM 907 O SER A 57 12.953 5.229 0.499 1.00 10.91 O ATOM 908 CB SER A 57 13.423 3.940 -2.509 1.00 10.32 C ATOM 909 OG SER A 57 13.150 5.094 -3.341 1.00 13.59 O ATOM 0 H SER A 57 10.985 3.171 -2.871 1.00 8.92 H new ATOM 0 HA SER A 57 12.736 3.006 -0.706 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.418 4.033 -2.074 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.427 3.041 -3.125 1.00 10.32 H new ATOM 0 HG SER A 57 12.190 5.139 -3.533 1.00 13.59 H new ATOM 915 N ASP A 58 11.388 6.028 -0.844 1.00 9.11 N ATOM 916 CA ASP A 58 11.090 7.284 -0.174 1.00 7.91 C ATOM 917 C ASP A 58 10.637 7.120 1.335 1.00 9.12 C ATOM 918 O ASP A 58 11.080 7.914 2.132 1.00 8.61 O ATOM 919 CB ASP A 58 9.921 7.993 -0.891 1.00 8.41 C ATOM 920 CG ASP A 58 10.356 8.609 -2.220 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.296 9.438 -2.166 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.764 8.309 -3.283 1.00 10.05 O ATOM 0 H ASP A 58 10.806 5.912 -1.674 1.00 9.11 H new ATOM 0 HA ASP A 58 12.022 7.849 -0.205 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.117 7.279 -1.068 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.518 8.772 -0.244 1.00 8.41 H new ATOM 927 N TYR A 59 9.792 6.158 1.640 1.00 7.97 N ATOM 928 CA TYR A 59 9.338 5.905 2.983 1.00 8.45 C ATOM 929 C TYR A 59 10.210 4.749 3.600 1.00 10.98 C ATOM 930 O TYR A 59 9.857 4.296 4.703 1.00 12.95 O ATOM 931 CB TYR A 59 7.932 5.252 2.926 1.00 7.94 C ATOM 932 CG TYR A 59 6.924 6.349 2.535 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.882 7.506 3.374 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.154 6.354 1.348 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.996 8.575 2.987 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.278 7.408 0.984 1.00 6.52 C ATOM 937 CZ TYR A 59 5.232 8.543 1.830 1.00 6.76 C ATOM 938 OH TYR A 59 4.327 9.531 1.630 1.00 7.63 O ATOM 0 H TYR A 59 9.397 5.522 0.947 1.00 7.97 H new ATOM 0 HA TYR A 59 9.374 6.844 3.536 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.916 4.441 2.198 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.671 4.819 3.892 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.491 7.576 4.263 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.238 5.508 0.682 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.924 9.441 3.628 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.668 7.348 0.095 1.00 6.52 H new ATOM 0 HH TYR A 59 4.642 10.354 2.058 1.00 7.63 H new ATOM 948 N ASN A 60 11.293 4.329 2.951 1.00 12.38 N ATOM 949 CA ASN A 60 12.209 3.282 3.506 1.00 13.94 C ATOM 950 C ASN A 60 11.678 1.870 3.681 1.00 14.16 C ATOM 951 O ASN A 60 11.812 1.208 4.731 1.00 14.26 O ATOM 952 CB ASN A 60 12.933 3.767 4.856 1.00 19.23 C ATOM 953 CG ASN A 60 13.801 5.005 4.561 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.570 6.059 5.111 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.902 4.809 3.821 1.00 24.09 N ATOM 0 H ASN A 60 11.576 4.685 2.038 1.00 12.38 H new ATOM 0 HA ASN A 60 12.923 3.183 2.688 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.188 4.005 5.615 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.551 2.964 5.258 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.580 5.562 3.706 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.062 3.907 3.373 1.00 24.09 H new ATOM 962 N ILE A 61 10.932 1.355 2.706 1.00 11.08 N ATOM 963 CA ILE A 61 10.161 0.124 2.726 1.00 11.78 C ATOM 964 C ILE A 61 10.931 -0.916 1.864 1.00 13.74 C ATOM 965 O ILE A 61 10.989 -0.771 0.616 1.00 14.60 O ATOM 966 CB ILE A 61 8.761 0.302 2.158 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.859 1.313 3.000 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.069 -1.015 1.932 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.735 2.024 2.252 1.00 11.42 C ATOM 0 H ILE A 61 10.848 1.832 1.808 1.00 11.08 H new ATOM 0 HA ILE A 61 10.045 -0.201 3.760 1.00 11.78 H new ATOM 0 HB ILE A 61 8.897 0.768 1.182 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.418 0.762 3.831 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.512 2.072 3.431 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.073 -0.838 1.526 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.647 -1.613 1.228 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.985 -1.549 2.878 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.200 2.681 2.938 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.156 2.615 1.438 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.045 1.285 1.844 1.00 11.42 H new ATOM 981 N GLN A 62 11.521 -1.906 2.514 1.00 13.97 N ATOM 982 CA GLN A 62 12.484 -2.792 1.944 1.00 15.52 C ATOM 983 C GLN A 62 11.978 -4.207 2.069 1.00 13.94 C ATOM 984 O GLN A 62 10.962 -4.474 2.775 1.00 12.15 O ATOM 985 CB GLN A 62 13.749 -2.785 2.727 1.00 19.53 C ATOM 986 CG GLN A 62 14.378 -1.375 2.984 1.00 26.38 C ATOM 987 CD GLN A 62 15.843 -1.468 3.426 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.249 -2.133 4.399 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.745 -0.758 2.719 1.00 32.71 N ATOM 0 H GLN A 62 11.323 -2.110 3.494 1.00 13.97 H new ATOM 0 HA GLN A 62 12.647 -2.473 0.915 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.562 -3.260 3.690 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.482 -3.400 2.205 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.312 -0.778 2.075 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.801 -0.855 3.749 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.443 -0.204 1.918 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.729 -0.775 2.986 1.00 32.71 H new ATOM 998 N LYS A 63 12.594 -5.171 1.344 1.00 11.73 N ATOM 999 CA LYS A 63 12.415 -6.606 1.498 1.00 11.97 C ATOM 1000 C LYS A 63 11.981 -7.253 2.858 1.00 10.41 C ATOM 1001 O LYS A 63 12.652 -7.155 3.919 1.00 9.59 O ATOM 1002 CB LYS A 63 13.739 -7.306 1.087 1.00 13.73 C ATOM 1003 CG LYS A 63 15.017 -6.981 1.863 1.00 16.98 C ATOM 1004 CD LYS A 63 16.228 -7.681 1.269 1.00 20.19 C ATOM 1005 CE LYS A 63 17.273 -8.145 2.295 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.997 -6.954 2.900 1.00 25.97 N ATOM 0 H LYS A 63 13.258 -4.942 0.604 1.00 11.73 H new ATOM 0 HA LYS A 63 11.536 -6.761 0.872 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.578 -8.382 1.153 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.922 -7.075 0.038 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.181 -5.903 1.859 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.897 -7.281 2.904 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.887 -8.547 0.702 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.709 -7.006 0.561 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.786 -8.720 3.083 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.992 -8.808 1.815 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.699 -7.289 3.591 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.478 -6.421 2.147 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.310 -6.336 3.377 1.00 25.97 H new ATOM 1020 N GLU A 64 10.799 -7.953 2.891 1.00 10.04 N ATOM 1021 CA GLU A 64 10.116 -8.525 3.984 1.00 10.94 C ATOM 1022 C GLU A 64 9.489 -7.582 5.036 1.00 9.74 C ATOM 1023 O GLU A 64 9.307 -7.971 6.183 1.00 9.42 O ATOM 1024 CB GLU A 64 10.901 -9.720 4.634 1.00 18.31 C ATOM 1025 CG GLU A 64 11.260 -10.811 3.655 1.00 24.16 C ATOM 1026 CD GLU A 64 12.131 -11.948 4.276 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.847 -12.473 5.400 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.144 -12.312 3.595 1.00 31.72 O ATOM 0 H GLU A 64 10.287 -8.119 2.025 1.00 10.04 H new ATOM 0 HA GLU A 64 9.226 -8.917 3.493 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.814 -9.338 5.091 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.298 -10.147 5.436 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.343 -11.245 3.255 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.797 -10.371 2.815 1.00 24.16 H new ATOM 1035 N SER A 65 9.136 -6.373 4.668 1.00 6.85 N ATOM 1036 CA SER A 65 8.587 -5.360 5.581 1.00 6.90 C ATOM 1037 C SER A 65 7.057 -5.434 5.467 1.00 4.72 C ATOM 1038 O SER A 65 6.422 -5.851 4.507 1.00 3.91 O ATOM 1039 CB SER A 65 9.066 -3.947 5.178 1.00 7.28 C ATOM 1040 OG SER A 65 8.874 -2.997 6.240 1.00 10.56 O ATOM 0 H SER A 65 9.219 -6.044 3.706 1.00 6.85 H new ATOM 0 HA SER A 65 8.921 -5.549 6.601 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.122 -3.984 4.909 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.523 -3.617 4.292 1.00 7.28 H new ATOM 0 HG SER A 65 9.189 -2.115 5.951 1.00 10.56 H new ATOM 1046 N THR A 66 6.414 -4.910 6.522 1.00 4.48 N ATOM 1047 CA THR A 66 4.982 -5.005 6.675 1.00 3.80 C ATOM 1048 C THR A 66 4.336 -3.666 6.498 1.00 4.60 C ATOM 1049 O THR A 66 4.700 -2.712 7.208 1.00 5.33 O ATOM 1050 CB THR A 66 4.584 -5.521 8.029 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.068 -6.878 8.191 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.111 -5.640 8.230 1.00 3.40 C ATOM 0 H THR A 66 6.883 -4.414 7.280 1.00 4.48 H new ATOM 0 HA THR A 66 4.647 -5.704 5.908 1.00 3.80 H new ATOM 0 HB THR A 66 5.001 -4.799 8.731 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.810 -7.214 9.075 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.910 -6.019 9.232 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.647 -4.660 8.113 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.697 -6.328 7.492 1.00 3.40 H new ATOM 1060 N LEU A 67 3.272 -3.660 5.686 1.00 4.17 N ATOM 1061 CA LEU A 67 2.388 -2.495 5.476 1.00 3.85 C ATOM 1062 C LEU A 67 0.981 -2.711 6.047 1.00 3.80 C ATOM 1063 O LEU A 67 0.571 -3.842 6.277 1.00 5.54 O ATOM 1064 CB LEU A 67 2.210 -2.276 3.958 1.00 7.18 C ATOM 1065 CG LEU A 67 3.430 -1.977 3.110 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.891 -1.558 1.660 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.298 -0.802 3.608 1.00 11.66 C ATOM 0 H LEU A 67 2.992 -4.477 5.144 1.00 4.17 H new ATOM 0 HA LEU A 67 2.855 -1.649 5.980 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.737 -3.169 3.550 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.507 -1.454 3.825 1.00 7.18 H new ATOM 0 HG LEU A 67 4.056 -2.869 3.134 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.736 -1.332 1.009 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.315 -2.380 1.234 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.255 -0.677 1.749 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.146 -0.666 2.937 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.700 0.109 3.627 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.662 -1.018 4.612 1.00 11.66 H new ATOM 1079 N HIS A 68 0.235 -1.628 6.337 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.153 -1.650 6.812 1.00 4.17 C ATOM 1081 C HIS A 68 -2.106 -1.040 5.781 1.00 5.32 C ATOM 1082 O HIS A 68 -1.862 0.040 5.208 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.307 -0.955 8.213 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.234 -1.353 9.196 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.870 -0.510 9.234 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.039 -2.196 10.272 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.724 -0.914 10.199 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.209 -1.969 10.848 1.00 16.30 N ATOM 0 H HIS A 68 0.600 -0.680 6.242 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.429 -2.697 6.941 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.285 0.127 8.079 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.283 -1.205 8.630 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.014 0.294 8.624 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.753 -2.928 10.618 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.678 -0.457 10.416 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.256 -1.679 5.529 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.228 -1.206 4.580 1.00 3.97 C ATOM 1098 C LEU A 69 -5.515 -0.795 5.341 1.00 5.07 C ATOM 1099 O LEU A 69 -6.051 -1.549 6.111 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.426 -2.289 3.499 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.715 -2.210 2.588 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.586 -0.919 1.787 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.681 -3.358 1.548 1.00 9.96 C ATOM 0 H LEU A 69 -3.525 -2.547 5.992 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.897 -0.310 4.054 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.554 -2.269 2.845 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.429 -3.259 3.996 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.618 -2.265 3.195 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.452 -0.807 1.135 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.534 -0.071 2.470 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.679 -0.955 1.183 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.569 -3.305 0.919 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.790 -3.260 0.927 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.659 -4.317 2.065 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.971 0.383 5.061 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.144 0.983 5.721 1.00 6.26 C ATOM 1117 C VAL A 70 -8.168 1.138 4.565 1.00 9.22 C ATOM 1118 O VAL A 70 -7.926 1.726 3.500 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.795 2.379 6.281 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.037 3.048 6.933 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.745 2.204 7.316 1.00 8.54 C ATOM 0 H VAL A 70 -5.548 0.988 4.357 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.508 0.383 6.555 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.452 3.018 5.467 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.761 4.030 7.318 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.824 3.159 6.187 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.398 2.425 7.751 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.477 3.176 7.731 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.122 1.561 8.112 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.864 1.746 6.867 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.367 0.634 4.815 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.327 0.554 3.743 1.00 16.06 C ATOM 1133 C LEU A 71 -11.607 1.288 4.137 1.00 18.09 C ATOM 1134 O LEU A 71 -12.297 0.959 5.126 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.737 -0.892 3.413 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.641 -1.697 2.730 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.090 -3.145 2.447 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.274 -1.062 1.359 1.00 19.57 C ATOM 0 H LEU A 71 -9.684 0.287 5.720 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.843 0.999 2.874 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.027 -1.398 4.334 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.617 -0.873 2.770 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.788 -1.695 3.408 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.281 -3.688 1.959 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.343 -3.638 3.386 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.964 -3.134 1.796 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.489 -1.650 0.884 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.155 -1.048 0.717 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.921 -0.042 1.513 1.00 19.57 H new