USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 125:sc= 0.00619 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0475 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.968 K(o=0.97,f=-4.9!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 157:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.0213 (180deg=-0.0255) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.21 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc=0.000189 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.41 (180deg=1.34) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.104 K(o=0.1,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 49 GLN : amide:sc= -0.837 K(o=-0.84,f=-5.4!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00522 K(o=-0.0052,f=-1.2) 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 HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.893 -6.577 -5.051 1.00 9.67 N ATOM 2 CA MET A 1 11.779 -6.608 -3.554 1.00 10.38 C ATOM 3 C MET A 1 10.380 -7.176 -3.117 1.00 9.62 C ATOM 4 O MET A 1 9.345 -6.813 -3.702 1.00 9.62 O ATOM 5 CB MET A 1 11.885 -5.074 -3.006 1.00 13.77 C ATOM 6 CG MET A 1 11.789 -4.915 -1.470 1.00 16.29 C ATOM 7 SD MET A 1 12.218 -3.296 -0.777 1.00 17.17 S ATOM 8 CE MET A 1 10.706 -2.466 -1.316 1.00 16.11 C ATOM 0 H1 MET A 1 12.884 -6.413 -5.320 1.00 9.67 H new ATOM 0 H2 MET A 1 11.574 -7.486 -5.442 1.00 9.67 H new ATOM 0 H3 MET A 1 11.300 -5.811 -5.429 1.00 9.67 H new ATOM 0 HA MET A 1 12.570 -7.240 -3.150 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.832 -4.650 -3.341 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.092 -4.485 -3.466 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.769 -5.152 -1.169 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.438 -5.661 -1.012 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.723 -1.428 -0.984 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.641 -2.498 -2.404 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.841 -2.970 -0.886 1.00 16.11 H new ATOM 20 N GLN A 2 10.258 -8.024 -2.053 1.00 9.27 N ATOM 21 CA GLN A 2 8.953 -8.419 -1.526 1.00 9.07 C ATOM 22 C GLN A 2 8.479 -7.593 -0.374 1.00 8.72 C ATOM 23 O GLN A 2 9.341 -7.165 0.394 1.00 8.22 O ATOM 24 CB GLN A 2 9.170 -9.883 -1.047 1.00 14.46 C ATOM 25 CG GLN A 2 7.880 -10.627 -0.602 1.00 17.01 C ATOM 26 CD GLN A 2 8.262 -12.117 -0.459 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.340 -12.828 -1.466 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.527 -12.556 0.773 1.00 19.49 N ATOM 0 H GLN A 2 11.051 -8.434 -1.560 1.00 9.27 H new ATOM 0 HA GLN A 2 8.189 -8.293 -2.293 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.637 -10.448 -1.854 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.873 -9.876 -0.214 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.509 -10.229 0.342 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.085 -10.499 -1.337 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.446 -11.923 1.569 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.811 -13.525 0.919 1.00 19.49 H new ATOM 37 N ILE A 3 7.133 -7.371 -0.278 1.00 5.87 N ATOM 38 CA ILE A 3 6.529 -6.672 0.818 1.00 5.07 C ATOM 39 C ILE A 3 5.240 -7.414 1.184 1.00 4.01 C ATOM 40 O ILE A 3 4.797 -8.306 0.515 1.00 4.61 O ATOM 41 CB ILE A 3 6.200 -5.253 0.451 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.487 -5.155 -0.950 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.480 -4.419 0.381 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.035 -3.751 -1.269 1.00 10.83 C ATOM 0 H ILE A 3 6.464 -7.688 -0.980 1.00 5.87 H new ATOM 0 HA ILE A 3 7.225 -6.642 1.656 1.00 5.07 H new ATOM 0 HB ILE A 3 5.527 -4.877 1.222 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.170 -5.499 -1.727 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.626 -5.823 -0.964 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.231 -3.392 0.114 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.976 -4.432 1.351 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.147 -4.838 -0.373 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.550 -3.738 -2.245 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.330 -3.414 -0.509 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.898 -3.085 -1.284 1.00 10.83 H new ATOM 56 N PHE A 4 4.765 -7.084 2.394 1.00 4.55 N ATOM 57 CA PHE A 4 3.584 -7.776 2.908 1.00 4.68 C ATOM 58 C PHE A 4 2.489 -6.750 3.155 1.00 5.30 C ATOM 59 O PHE A 4 2.734 -5.635 3.585 1.00 5.58 O ATOM 60 CB PHE A 4 3.998 -8.443 4.246 1.00 4.83 C ATOM 61 CG PHE A 4 4.827 -9.710 3.994 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.218 -10.788 3.281 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.185 -9.753 4.332 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.988 -11.887 2.972 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.921 -10.871 4.059 1.00 10.61 C ATOM 66 CZ PHE A 4 6.318 -11.912 3.374 1.00 8.90 C ATOM 0 H PHE A 4 5.162 -6.374 3.009 1.00 4.55 H new ATOM 0 HA PHE A 4 3.215 -8.524 2.206 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.576 -7.739 4.844 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.108 -8.695 4.822 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.179 -10.742 2.991 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.650 -8.903 4.808 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.565 -12.717 2.426 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.952 -10.941 4.371 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.909 -12.785 3.141 1.00 8.90 H new ATOM 76 N VAL A 5 1.254 -7.140 2.907 1.00 4.44 N ATOM 77 CA VAL A 5 0.088 -6.270 3.216 1.00 3.87 C ATOM 78 C VAL A 5 -0.863 -7.043 4.107 1.00 4.93 C ATOM 79 O VAL A 5 -1.083 -8.231 3.890 1.00 6.84 O ATOM 80 CB VAL A 5 -0.780 -5.648 2.071 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.833 -4.652 2.632 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.141 -4.832 1.077 1.00 9.13 C ATOM 0 H VAL A 5 1.012 -8.042 2.496 1.00 4.44 H new ATOM 0 HA VAL A 5 0.583 -5.402 3.652 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.280 -6.475 1.566 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.418 -4.239 1.810 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.496 -5.174 3.322 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.325 -3.843 3.158 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.471 -4.403 0.284 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.644 -4.032 1.621 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.885 -5.498 0.641 1.00 9.13 H new ATOM 92 N LYS A 6 -1.406 -6.441 5.237 1.00 6.04 N ATOM 93 CA LYS A 6 -2.548 -7.090 5.952 1.00 6.12 C ATOM 94 C LYS A 6 -3.870 -6.388 5.587 1.00 6.57 C ATOM 95 O LYS A 6 -3.936 -5.167 5.756 1.00 5.76 O ATOM 96 CB LYS A 6 -2.194 -7.150 7.413 1.00 7.45 C ATOM 97 CG LYS A 6 -1.108 -8.265 7.736 1.00 11.12 C ATOM 98 CD LYS A 6 -0.808 -8.476 9.182 1.00 14.54 C ATOM 99 CE LYS A 6 0.408 -9.293 9.573 1.00 18.84 C ATOM 100 NZ LYS A 6 0.155 -10.710 9.159 1.00 20.55 N ATOM 0 H LYS A 6 -1.084 -5.561 5.640 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.719 -8.121 5.641 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.817 -6.178 7.731 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.095 -7.348 7.993 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.448 -9.210 7.313 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.181 -8.002 7.226 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.705 -7.493 9.643 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.680 -8.950 9.632 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.302 -8.906 9.085 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.580 -9.233 10.648 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.046 -11.246 9.193 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.534 -11.143 9.806 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.223 -10.726 8.190 1.00 20.55 H new ATOM 114 N THR A 7 -4.864 -7.113 5.086 1.00 7.41 N ATOM 115 CA THR A 7 -6.214 -6.679 4.803 1.00 7.48 C ATOM 116 C THR A 7 -6.968 -6.117 6.015 1.00 8.75 C ATOM 117 O THR A 7 -6.475 -6.141 7.132 1.00 8.58 O ATOM 118 CB THR A 7 -7.103 -7.491 3.848 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.494 -8.665 4.586 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.334 -7.921 2.594 1.00 9.17 C ATOM 0 H THR A 7 -4.729 -8.096 4.851 1.00 7.41 H new ATOM 0 HA THR A 7 -5.968 -5.845 4.146 1.00 7.48 H new ATOM 0 HB THR A 7 -7.953 -6.895 3.516 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.069 -9.227 4.026 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.993 -8.493 1.941 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.977 -7.037 2.065 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.484 -8.539 2.883 1.00 9.17 H new ATOM 128 N LEU A 8 -8.216 -5.668 5.782 1.00 9.84 N ATOM 129 CA LEU A 8 -9.100 -5.068 6.817 1.00 14.15 C ATOM 130 C LEU A 8 -9.619 -6.053 7.784 1.00 17.37 C ATOM 131 O LEU A 8 -10.182 -5.613 8.798 1.00 17.01 O ATOM 132 CB LEU A 8 -10.295 -4.238 6.244 1.00 16.63 C ATOM 133 CG LEU A 8 -9.995 -3.187 5.120 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.272 -2.689 4.482 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.255 -1.969 5.662 1.00 18.59 C ATOM 0 H LEU A 8 -8.650 -5.709 4.860 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.434 -4.378 7.336 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -11.032 -4.940 5.855 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.764 -3.712 7.075 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.375 -3.703 4.387 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.032 -1.962 3.707 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.809 -3.528 4.039 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.898 -2.218 5.240 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.067 -1.266 4.850 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.862 -1.485 6.427 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.306 -2.283 6.096 1.00 18.59 H new ATOM 147 N THR A 9 -9.559 -7.325 7.493 1.00 18.33 N ATOM 148 CA THR A 9 -9.928 -8.426 8.386 1.00 19.24 C ATOM 149 C THR A 9 -8.723 -9.237 8.720 1.00 19.48 C ATOM 150 O THR A 9 -8.855 -10.341 9.308 1.00 23.14 O ATOM 151 CB THR A 9 -10.972 -9.321 7.804 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.648 -9.649 6.509 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.336 -8.564 7.849 1.00 19.70 C ATOM 0 H THR A 9 -9.236 -7.654 6.583 1.00 18.33 H new ATOM 0 HA THR A 9 -10.347 -7.972 9.284 1.00 19.24 H new ATOM 0 HB THR A 9 -11.039 -10.246 8.377 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.338 -10.237 6.138 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.117 -9.197 7.429 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.583 -8.320 8.882 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.262 -7.645 7.267 1.00 19.70 H new ATOM 161 N GLY A 10 -7.473 -8.739 8.440 1.00 19.43 N ATOM 162 CA GLY A 10 -6.261 -9.239 9.089 1.00 18.74 C ATOM 163 C GLY A 10 -5.522 -10.118 8.118 1.00 17.62 C ATOM 164 O GLY A 10 -4.404 -10.622 8.328 1.00 19.74 O ATOM 0 H GLY A 10 -7.304 -7.992 7.766 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.630 -8.408 9.402 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.518 -9.800 9.987 1.00 18.74 H new ATOM 168 N LYS A 11 -6.023 -10.446 6.872 1.00 13.56 N ATOM 169 CA LYS A 11 -5.460 -11.452 6.031 1.00 11.91 C ATOM 170 C LYS A 11 -4.242 -10.871 5.217 1.00 10.18 C ATOM 171 O LYS A 11 -4.339 -9.867 4.511 1.00 9.10 O ATOM 172 CB LYS A 11 -6.559 -12.077 5.082 1.00 13.43 C ATOM 173 CG LYS A 11 -5.959 -13.200 4.240 1.00 16.69 C ATOM 174 CD LYS A 11 -6.608 -13.393 2.792 1.00 17.92 C ATOM 175 CE LYS A 11 -6.309 -12.364 1.769 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.909 -12.799 0.491 1.00 21.93 N ATOM 0 H LYS A 11 -6.838 -9.987 6.465 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.083 -12.259 6.659 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.386 -12.463 5.678 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.968 -11.305 4.431 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.892 -13.010 4.119 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.056 -14.136 4.791 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.284 -14.359 2.403 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.690 -13.445 2.912 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.715 -11.398 2.071 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.232 -12.237 1.660 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.203 -11.965 -0.056 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.209 -13.342 -0.054 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.738 -13.397 0.682 1.00 21.93 H new ATOM 190 N THR A 12 -3.115 -11.556 5.349 1.00 9.63 N ATOM 191 CA THR A 12 -1.805 -11.299 4.651 1.00 9.85 C ATOM 192 C THR A 12 -1.779 -11.742 3.227 1.00 11.66 C ATOM 193 O THR A 12 -2.095 -12.866 2.872 1.00 12.33 O ATOM 194 CB THR A 12 -0.570 -11.852 5.361 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.672 -11.726 6.775 1.00 10.91 O ATOM 196 CG2 THR A 12 0.702 -10.988 4.943 1.00 9.63 C ATOM 0 H THR A 12 -3.058 -12.358 5.976 1.00 9.63 H new ATOM 0 HA THR A 12 -1.747 -10.211 4.686 1.00 9.85 H new ATOM 0 HB THR A 12 -0.484 -12.901 5.079 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.088 -12.385 7.205 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.587 -11.377 5.446 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.843 -11.046 3.864 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.547 -9.949 5.233 1.00 9.63 H new ATOM 204 N ILE A 13 -1.334 -10.795 2.379 1.00 10.42 N ATOM 205 CA ILE A 13 -1.100 -11.010 0.925 1.00 11.84 C ATOM 206 C ILE A 13 0.376 -10.683 0.714 1.00 10.55 C ATOM 207 O ILE A 13 0.998 -9.865 1.361 1.00 11.92 O ATOM 208 CB ILE A 13 -2.052 -10.196 0.013 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.008 -8.711 0.406 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.451 -10.832 0.215 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.752 -7.854 -0.564 1.00 16.46 C ATOM 0 H ILE A 13 -1.122 -9.844 2.682 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.327 -12.036 0.635 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.772 -10.229 -1.040 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.435 -8.587 1.401 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.971 -8.381 0.460 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.182 -10.307 -0.401 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.419 -11.882 -0.076 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.738 -10.755 1.264 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.695 -6.812 -0.248 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.309 -7.957 -1.555 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.796 -8.166 -0.599 1.00 16.46 H new ATOM 223 N THR A 14 1.063 -11.404 -0.106 1.00 9.39 N ATOM 224 CA THR A 14 2.445 -11.087 -0.519 1.00 9.63 C ATOM 225 C THR A 14 2.428 -10.237 -1.803 1.00 11.20 C ATOM 226 O THR A 14 1.745 -10.570 -2.743 1.00 11.63 O ATOM 227 CB THR A 14 3.328 -12.341 -0.717 1.00 10.38 C ATOM 228 OG1 THR A 14 3.304 -13.367 0.278 1.00 16.30 O ATOM 229 CG2 THR A 14 4.747 -11.918 -0.804 1.00 11.66 C ATOM 0 H THR A 14 0.698 -12.255 -0.534 1.00 9.39 H new ATOM 0 HA THR A 14 2.894 -10.521 0.297 1.00 9.63 H new ATOM 0 HB THR A 14 2.896 -12.784 -1.614 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.908 -14.092 0.015 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.380 -12.794 -0.944 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.874 -11.241 -1.648 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.032 -11.408 0.116 1.00 11.66 H new ATOM 237 N LEU A 15 3.232 -9.121 -1.919 1.00 8.29 N ATOM 238 CA LEU A 15 3.407 -8.396 -3.158 1.00 9.03 C ATOM 239 C LEU A 15 4.880 -8.381 -3.482 1.00 8.59 C ATOM 240 O LEU A 15 5.786 -8.444 -2.596 1.00 7.79 O ATOM 241 CB LEU A 15 2.884 -6.980 -3.132 1.00 11.08 C ATOM 242 CG LEU A 15 1.528 -6.745 -2.516 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.307 -5.237 -2.477 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.485 -7.532 -3.260 1.00 15.27 C ATOM 0 H LEU A 15 3.759 -8.730 -1.138 1.00 8.29 H new ATOM 0 HA LEU A 15 2.820 -8.911 -3.918 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.607 -6.365 -2.596 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.854 -6.615 -4.159 1.00 11.08 H new ATOM 0 HG LEU A 15 1.457 -7.107 -1.490 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.333 -5.023 -2.037 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.087 -4.770 -1.876 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.342 -4.838 -3.491 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.492 -7.358 -2.810 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.466 -7.216 -4.303 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.724 -8.594 -3.207 1.00 15.27 H new ATOM 256 N GLU A 16 5.189 -8.293 -4.790 1.00 11.04 N ATOM 257 CA GLU A 16 6.556 -8.136 -5.328 1.00 11.50 C ATOM 258 C GLU A 16 6.537 -6.840 -6.183 1.00 10.13 C ATOM 259 O GLU A 16 5.689 -6.637 -7.050 1.00 9.83 O ATOM 260 CB GLU A 16 6.963 -9.229 -6.328 1.00 17.22 C ATOM 261 CG GLU A 16 8.502 -9.342 -6.386 1.00 23.33 C ATOM 262 CD GLU A 16 8.977 -10.558 -7.125 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.081 -11.636 -6.501 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.200 -10.532 -8.375 1.00 28.90 O ATOM 0 H GLU A 16 4.478 -8.330 -5.521 1.00 11.04 H new ATOM 0 HA GLU A 16 7.238 -8.153 -4.478 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.530 -10.185 -6.032 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.569 -8.994 -7.317 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.908 -8.451 -6.866 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.897 -9.365 -5.370 1.00 23.33 H new ATOM 271 N VAL A 17 7.519 -5.964 -5.882 1.00 8.99 N ATOM 272 CA VAL A 17 7.684 -4.629 -6.441 1.00 8.85 C ATOM 273 C VAL A 17 9.148 -4.250 -6.493 1.00 8.04 C ATOM 274 O VAL A 17 10.051 -4.887 -5.903 1.00 8.99 O ATOM 275 CB VAL A 17 7.050 -3.596 -5.502 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.513 -3.742 -5.570 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.581 -3.755 -4.061 1.00 10.54 C ATOM 0 H VAL A 17 8.249 -6.192 -5.207 1.00 8.99 H new ATOM 0 HA VAL A 17 7.230 -4.637 -7.432 1.00 8.85 H new ATOM 0 HB VAL A 17 7.324 -2.590 -5.822 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.049 -3.013 -4.906 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.176 -3.569 -6.592 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.229 -4.748 -5.260 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.114 -3.010 -3.417 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.342 -4.753 -3.693 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.662 -3.615 -4.054 1.00 10.54 H new ATOM 287 N GLU A 18 9.521 -3.152 -7.169 1.00 7.29 N ATOM 288 CA GLU A 18 10.826 -2.568 -7.074 1.00 7.08 C ATOM 289 C GLU A 18 10.648 -1.499 -5.945 1.00 6.45 C ATOM 290 O GLU A 18 9.589 -0.893 -5.806 1.00 5.28 O ATOM 291 CB GLU A 18 11.398 -1.934 -8.391 1.00 10.28 C ATOM 292 CG GLU A 18 11.876 -2.989 -9.384 1.00 12.65 C ATOM 293 CD GLU A 18 13.080 -3.779 -8.997 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.763 -3.508 -7.947 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.506 -4.630 -9.879 1.00 14.33 O ATOM 0 H GLU A 18 8.897 -2.652 -7.803 1.00 7.29 H new ATOM 0 HA GLU A 18 11.572 -3.335 -6.866 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.629 -1.320 -8.859 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.227 -1.271 -8.142 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.056 -3.685 -9.562 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.085 -2.493 -10.332 1.00 12.65 H new ATOM 302 N PRO A 19 11.681 -1.093 -5.196 1.00 7.24 N ATOM 303 CA PRO A 19 11.575 0.062 -4.292 1.00 7.07 C ATOM 304 C PRO A 19 11.405 1.412 -5.000 1.00 6.65 C ATOM 305 O PRO A 19 11.257 2.458 -4.347 1.00 6.37 O ATOM 306 CB PRO A 19 12.901 -0.042 -3.473 1.00 7.61 C ATOM 307 CG PRO A 19 13.899 -0.827 -4.321 1.00 8.16 C ATOM 308 CD PRO A 19 12.971 -1.745 -5.154 1.00 7.49 C ATOM 0 HA PRO A 19 10.675 0.031 -3.679 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.289 0.950 -3.243 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.726 -0.544 -2.522 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.499 -0.173 -4.954 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.593 -1.400 -3.706 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.367 -1.888 -6.160 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.892 -2.733 -4.700 1.00 7.49 H new ATOM 316 N SER A 20 11.527 1.470 -6.340 1.00 6.80 N ATOM 317 CA SER A 20 11.231 2.654 -7.123 1.00 6.28 C ATOM 318 C SER A 20 9.847 2.788 -7.658 1.00 8.45 C ATOM 319 O SER A 20 9.473 3.644 -8.363 1.00 7.26 O ATOM 320 CB SER A 20 12.204 2.554 -8.363 1.00 8.57 C ATOM 321 OG SER A 20 12.148 1.285 -8.969 1.00 11.13 O ATOM 0 H SER A 20 11.839 0.679 -6.903 1.00 6.80 H new ATOM 0 HA SER A 20 11.349 3.515 -6.465 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.941 3.318 -9.094 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.225 2.759 -8.041 1.00 8.57 H new ATOM 0 HG SER A 20 12.761 1.260 -9.733 1.00 11.13 H new ATOM 327 N ASP A 21 9.017 1.747 -7.300 1.00 7.50 N ATOM 328 CA ASP A 21 7.640 1.729 -7.643 1.00 7.70 C ATOM 329 C ASP A 21 6.931 2.669 -6.662 1.00 7.08 C ATOM 330 O ASP A 21 7.440 3.011 -5.603 1.00 8.11 O ATOM 331 CB ASP A 21 7.092 0.236 -7.527 1.00 11.00 C ATOM 332 CG ASP A 21 7.543 -0.494 -8.784 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.418 0.038 -9.951 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.782 -1.678 -8.624 1.00 14.36 O ATOM 0 H ASP A 21 9.327 0.931 -6.773 1.00 7.50 H new ATOM 0 HA ASP A 21 7.464 2.061 -8.666 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.484 -0.252 -6.634 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.005 0.228 -7.444 1.00 11.00 H new ATOM 339 N THR A 22 5.794 3.306 -7.099 1.00 5.37 N ATOM 340 CA THR A 22 5.068 4.263 -6.249 1.00 6.01 C ATOM 341 C THR A 22 3.963 3.648 -5.458 1.00 8.01 C ATOM 342 O THR A 22 3.431 2.588 -5.760 1.00 8.11 O ATOM 343 CB THR A 22 4.613 5.500 -6.988 1.00 8.92 C ATOM 344 OG1 THR A 22 3.641 5.239 -7.971 1.00 10.22 O ATOM 345 CG2 THR A 22 5.847 6.154 -7.608 1.00 9.65 C ATOM 0 H THR A 22 5.382 3.165 -8.021 1.00 5.37 H new ATOM 0 HA THR A 22 5.811 4.593 -5.523 1.00 6.01 H new ATOM 0 HB THR A 22 4.129 6.167 -6.275 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.387 6.077 -8.411 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.550 7.052 -8.150 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.551 6.422 -6.820 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.322 5.455 -8.297 1.00 9.65 H new ATOM 353 N ILE A 23 3.534 4.304 -4.335 1.00 8.32 N ATOM 354 CA ILE A 23 2.408 3.960 -3.461 1.00 9.92 C ATOM 355 C ILE A 23 1.212 3.715 -4.344 1.00 10.01 C ATOM 356 O ILE A 23 0.516 2.751 -4.104 1.00 8.71 O ATOM 357 CB ILE A 23 2.119 5.028 -2.460 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.307 5.227 -1.529 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.845 4.776 -1.629 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.836 3.970 -0.883 1.00 12.30 C ATOM 0 H ILE A 23 4.012 5.144 -4.010 1.00 8.32 H new ATOM 0 HA ILE A 23 2.656 3.070 -2.883 1.00 9.92 H new ATOM 0 HB ILE A 23 1.940 5.933 -3.040 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.115 5.694 -2.092 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.020 5.926 -0.744 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.702 5.595 -0.924 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.017 4.715 -2.294 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.947 3.839 -1.081 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.680 4.219 -0.240 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.049 3.509 -0.286 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.161 3.273 -1.655 1.00 12.30 H new ATOM 372 N GLU A 24 1.010 4.494 -5.471 1.00 9.54 N ATOM 373 CA GLU A 24 -0.040 4.276 -6.437 1.00 11.81 C ATOM 374 C GLU A 24 0.057 2.980 -7.151 1.00 11.14 C ATOM 375 O GLU A 24 -0.929 2.270 -7.171 1.00 10.62 O ATOM 376 CB GLU A 24 0.004 5.348 -7.597 1.00 19.24 C ATOM 377 CG GLU A 24 -1.347 5.469 -8.426 1.00 27.76 C ATOM 378 CD GLU A 24 -1.189 6.236 -9.699 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.362 5.895 -10.594 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.021 7.173 -9.830 1.00 34.80 O ATOM 0 H GLU A 24 1.603 5.292 -5.699 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.946 4.325 -5.834 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.242 6.321 -7.168 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.815 5.094 -8.280 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.716 4.469 -8.655 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.103 5.954 -7.808 1.00 27.76 H new ATOM 387 N ASN A 25 1.243 2.611 -7.577 1.00 9.43 N ATOM 388 CA ASN A 25 1.537 1.314 -8.163 1.00 10.96 C ATOM 389 C ASN A 25 1.322 0.093 -7.218 1.00 9.68 C ATOM 390 O ASN A 25 0.842 -0.993 -7.583 1.00 9.33 O ATOM 391 CB ASN A 25 3.038 1.228 -8.704 1.00 16.78 C ATOM 392 CG ASN A 25 3.503 2.355 -9.613 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.627 2.859 -9.630 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.604 2.737 -10.603 1.00 24.70 N ATOM 0 H ASN A 25 2.059 3.221 -7.526 1.00 9.43 H new ATOM 0 HA ASN A 25 0.812 1.247 -8.974 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.707 1.186 -7.845 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.152 0.287 -9.243 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.884 3.414 -11.312 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.665 2.340 -10.620 1.00 24.70 H new ATOM 401 N VAL A 26 1.627 0.302 -5.930 1.00 6.52 N ATOM 402 CA VAL A 26 1.288 -0.653 -4.821 1.00 5.53 C ATOM 403 C VAL A 26 -0.277 -0.769 -4.644 1.00 4.42 C ATOM 404 O VAL A 26 -0.850 -1.856 -4.699 1.00 3.40 O ATOM 405 CB VAL A 26 1.947 -0.410 -3.456 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.791 -1.682 -2.648 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.388 -0.058 -3.587 1.00 8.12 C ATOM 0 H VAL A 26 2.118 1.136 -5.608 1.00 6.52 H new ATOM 0 HA VAL A 26 1.725 -1.591 -5.163 1.00 5.53 H new ATOM 0 HB VAL A 26 1.464 0.434 -2.964 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.248 -1.549 -1.668 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.732 -1.908 -2.526 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.281 -2.506 -3.168 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.814 0.105 -2.597 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.918 -0.873 -4.080 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.488 0.851 -4.180 1.00 8.12 H new ATOM 417 N LYS A 27 -1.057 0.327 -4.636 1.00 2.64 N ATOM 418 CA LYS A 27 -2.470 0.257 -4.538 1.00 4.14 C ATOM 419 C LYS A 27 -3.040 -0.381 -5.811 1.00 5.58 C ATOM 420 O LYS A 27 -3.981 -1.096 -5.642 1.00 4.11 O ATOM 421 CB LYS A 27 -3.070 1.682 -4.314 1.00 3.97 C ATOM 422 CG LYS A 27 -2.602 2.319 -2.985 1.00 7.45 C ATOM 423 CD LYS A 27 -3.330 3.650 -2.703 1.00 9.02 C ATOM 424 CE LYS A 27 -3.146 4.823 -3.650 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.927 5.927 -3.114 1.00 15.47 N ATOM 0 H LYS A 27 -0.692 1.278 -4.699 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.743 -0.361 -3.682 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.783 2.328 -5.144 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.158 1.620 -4.320 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.783 1.624 -2.165 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.527 2.493 -3.024 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.397 3.434 -2.656 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.028 3.983 -1.710 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.094 5.096 -3.726 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.482 4.565 -4.654 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.614 6.818 -3.551 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.934 5.774 -3.323 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.792 5.980 -2.084 1.00 15.47 H new ATOM 439 N ALA A 28 -2.547 -0.103 -7.059 1.00 6.61 N ATOM 440 CA ALA A 28 -2.818 -0.835 -8.234 1.00 7.74 C ATOM 441 C ALA A 28 -2.551 -2.337 -8.207 1.00 9.17 C ATOM 442 O ALA A 28 -3.303 -3.100 -8.828 1.00 11.45 O ATOM 443 CB ALA A 28 -2.048 -0.103 -9.385 1.00 7.68 C ATOM 0 H ALA A 28 -1.924 0.687 -7.227 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.898 -0.837 -8.380 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.219 -0.625 -10.326 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.407 0.923 -9.468 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.981 -0.097 -9.162 1.00 7.68 H new ATOM 449 N LYS A 29 -1.563 -2.772 -7.404 1.00 8.96 N ATOM 450 CA LYS A 29 -1.305 -4.188 -7.213 1.00 7.90 C ATOM 451 C LYS A 29 -2.207 -4.857 -6.180 1.00 6.92 C ATOM 452 O LYS A 29 -2.622 -6.006 -6.248 1.00 6.87 O ATOM 453 CB LYS A 29 0.243 -4.301 -6.991 1.00 10.28 C ATOM 454 CG LYS A 29 0.853 -5.707 -7.222 1.00 14.94 C ATOM 455 CD LYS A 29 2.308 -5.624 -7.360 1.00 19.69 C ATOM 456 CE LYS A 29 2.669 -5.768 -8.884 1.00 22.63 C ATOM 457 NZ LYS A 29 4.122 -5.576 -9.060 1.00 24.98 N ATOM 0 H LYS A 29 -0.939 -2.156 -6.884 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.583 -4.779 -8.086 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.740 -3.595 -7.657 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.469 -3.990 -5.971 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.599 -6.361 -6.388 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.423 -6.153 -8.119 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.672 -4.673 -6.972 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.790 -6.411 -6.780 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.374 -6.752 -9.248 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.119 -5.032 -9.471 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.429 -6.035 -9.941 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.335 -4.559 -9.107 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.628 -5.998 -8.255 1.00 24.98 H new ATOM 471 N ILE A 30 -2.656 -4.104 -5.149 1.00 4.57 N ATOM 472 CA ILE A 30 -3.742 -4.402 -4.237 1.00 5.58 C ATOM 473 C ILE A 30 -5.062 -4.553 -4.912 1.00 7.26 C ATOM 474 O ILE A 30 -5.837 -5.465 -4.611 1.00 9.46 O ATOM 475 CB ILE A 30 -3.867 -3.485 -2.974 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.591 -3.609 -2.106 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.217 -3.814 -2.227 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.332 -2.513 -1.057 1.00 2.00 C ATOM 0 H ILE A 30 -2.223 -3.207 -4.932 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.437 -5.374 -3.849 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.925 -2.432 -3.248 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.629 -4.567 -1.588 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.732 -3.643 -2.776 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.310 -3.178 -1.346 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.057 -3.631 -2.897 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.218 -4.860 -1.921 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.405 -2.730 -0.525 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.248 -1.546 -1.554 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.159 -2.485 -0.348 1.00 2.00 H new ATOM 490 N GLN A 31 -5.327 -3.753 -5.920 1.00 7.06 N ATOM 491 CA GLN A 31 -6.464 -3.909 -6.805 1.00 8.67 C ATOM 492 C GLN A 31 -6.401 -5.192 -7.613 1.00 10.90 C ATOM 493 O GLN A 31 -7.415 -5.845 -7.759 1.00 9.63 O ATOM 494 CB GLN A 31 -6.649 -2.709 -7.801 1.00 9.12 C ATOM 495 CG GLN A 31 -8.028 -2.916 -8.529 1.00 10.76 C ATOM 496 CD GLN A 31 -8.611 -1.772 -9.287 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.946 -1.056 -10.019 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.940 -1.554 -9.181 1.00 14.76 N ATOM 0 H GLN A 31 -4.741 -2.952 -6.155 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.321 -3.941 -6.132 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.635 -1.759 -7.266 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.833 -2.680 -8.523 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.915 -3.750 -9.222 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.757 -3.222 -7.778 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.507 -2.145 -8.573 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.377 -0.798 -9.709 1.00 14.76 H new ATOM 507 N ASP A 32 -5.213 -5.603 -8.111 1.00 10.93 N ATOM 508 CA ASP A 32 -5.002 -6.969 -8.602 1.00 14.01 C ATOM 509 C ASP A 32 -5.349 -8.099 -7.607 1.00 14.04 C ATOM 510 O ASP A 32 -6.053 -9.031 -7.936 1.00 13.39 O ATOM 511 CB ASP A 32 -3.536 -6.990 -9.224 1.00 18.01 C ATOM 512 CG ASP A 32 -3.391 -8.193 -10.166 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.849 -8.069 -11.333 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.804 -9.228 -9.819 1.00 26.29 O ATOM 0 H ASP A 32 -4.391 -5.003 -8.180 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.729 -7.215 -9.376 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.348 -6.065 -9.769 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.794 -7.048 -8.428 1.00 18.01 H new ATOM 519 N LYS A 33 -4.840 -8.068 -6.365 1.00 14.22 N ATOM 520 CA LYS A 33 -5.157 -9.004 -5.263 1.00 14.00 C ATOM 521 C LYS A 33 -6.642 -8.971 -4.743 1.00 12.37 C ATOM 522 O LYS A 33 -7.221 -10.028 -4.547 1.00 12.17 O ATOM 523 CB LYS A 33 -4.180 -8.768 -4.067 1.00 18.62 C ATOM 524 CG LYS A 33 -2.771 -9.317 -4.375 1.00 24.00 C ATOM 525 CD LYS A 33 -2.630 -10.770 -3.972 1.00 27.61 C ATOM 526 CE LYS A 33 -1.236 -11.293 -4.321 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.310 -12.780 -4.421 1.00 30.06 N ATOM 0 H LYS A 33 -4.164 -7.358 -6.084 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.029 -9.996 -5.696 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.118 -7.701 -3.851 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.573 -9.252 -3.173 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.567 -9.214 -5.441 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.026 -8.720 -3.849 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.806 -10.875 -2.901 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.386 -11.369 -4.479 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.894 -10.865 -5.263 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.517 -10.998 -3.557 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.371 -13.159 -4.658 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.623 -13.174 -3.511 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.988 -13.045 -5.164 1.00 30.06 H new ATOM 541 N GLU A 34 -7.216 -7.807 -4.402 1.00 10.11 N ATOM 542 CA GLU A 34 -8.413 -7.708 -3.591 1.00 10.07 C ATOM 543 C GLU A 34 -9.471 -6.707 -4.040 1.00 9.32 C ATOM 544 O GLU A 34 -10.452 -6.339 -3.360 1.00 11.61 O ATOM 545 CB GLU A 34 -8.041 -7.205 -2.199 1.00 14.77 C ATOM 546 CG GLU A 34 -7.296 -8.209 -1.282 1.00 18.75 C ATOM 547 CD GLU A 34 -7.886 -9.519 -1.033 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.129 -9.547 -0.772 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.236 -10.616 -0.981 1.00 21.95 O ATOM 0 H GLU A 34 -6.847 -6.902 -4.692 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.825 -8.715 -3.655 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.419 -6.317 -2.311 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.954 -6.892 -1.693 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.306 -8.371 -1.709 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.151 -7.726 -0.316 1.00 18.75 H new ATOM 556 N GLY A 35 -9.431 -6.230 -5.319 1.00 7.22 N ATOM 557 CA GLY A 35 -10.518 -5.589 -6.053 1.00 6.29 C ATOM 558 C GLY A 35 -10.739 -4.123 -5.785 1.00 6.93 C ATOM 559 O GLY A 35 -11.457 -3.469 -6.565 1.00 7.41 O ATOM 0 H GLY A 35 -8.582 -6.296 -5.880 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.331 -5.716 -7.119 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.442 -6.120 -5.826 1.00 6.29 H new ATOM 563 N ILE A 36 -10.126 -3.571 -4.749 1.00 5.86 N ATOM 564 CA ILE A 36 -10.377 -2.230 -4.277 1.00 6.07 C ATOM 565 C ILE A 36 -9.791 -1.166 -5.287 1.00 6.36 C ATOM 566 O ILE A 36 -8.599 -1.253 -5.631 1.00 6.18 O ATOM 567 CB ILE A 36 -9.817 -1.970 -2.882 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.109 -3.103 -1.847 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.338 -0.586 -2.422 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.312 -3.081 -0.545 1.00 9.49 C ATOM 0 H ILE A 36 -9.420 -4.064 -4.202 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.461 -2.129 -4.215 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.728 -1.967 -2.937 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.169 -3.065 -1.595 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.931 -4.061 -2.336 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.956 -0.366 -1.425 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.997 0.181 -3.118 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.428 -0.597 -2.399 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.614 -3.921 0.080 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.248 -3.158 -0.768 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.505 -2.148 -0.016 1.00 9.49 H new ATOM 582 N PRO A 37 -10.583 -0.141 -5.757 1.00 8.65 N ATOM 583 CA PRO A 37 -10.011 1.010 -6.438 1.00 9.18 C ATOM 584 C PRO A 37 -8.891 1.678 -5.657 1.00 9.85 C ATOM 585 O PRO A 37 -9.016 1.822 -4.451 1.00 8.51 O ATOM 586 CB PRO A 37 -11.210 1.960 -6.578 1.00 11.42 C ATOM 587 CG PRO A 37 -12.429 1.082 -6.491 1.00 9.27 C ATOM 588 CD PRO A 37 -12.009 -0.071 -5.670 1.00 8.33 C ATOM 0 HA PRO A 37 -9.547 0.727 -7.383 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.210 2.711 -5.788 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.178 2.495 -7.527 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.265 1.610 -6.032 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.758 0.764 -7.480 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.328 0.054 -4.635 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.464 -0.992 -6.034 1.00 8.33 H new ATOM 596 N PRO A 38 -7.825 2.089 -6.220 1.00 8.71 N ATOM 597 CA PRO A 38 -6.753 2.818 -5.552 1.00 9.08 C ATOM 598 C PRO A 38 -7.187 4.156 -4.961 1.00 9.28 C ATOM 599 O PRO A 38 -6.641 4.633 -4.005 1.00 6.50 O ATOM 600 CB PRO A 38 -5.684 3.024 -6.641 1.00 10.31 C ATOM 601 CG PRO A 38 -5.840 1.803 -7.509 1.00 10.81 C ATOM 602 CD PRO A 38 -7.321 1.525 -7.465 1.00 12.00 C ATOM 0 HA PRO A 38 -6.393 2.253 -4.692 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.853 3.942 -7.203 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.683 3.091 -6.215 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.497 1.988 -8.527 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.262 0.962 -7.126 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.823 1.974 -8.322 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.513 0.453 -7.508 1.00 12.00 H new ATOM 610 N ASP A 39 -8.199 4.763 -5.475 1.00 11.20 N ATOM 611 CA ASP A 39 -8.923 5.937 -4.874 1.00 14.96 C ATOM 612 C ASP A 39 -9.461 5.619 -3.488 1.00 13.99 C ATOM 613 O ASP A 39 -9.440 6.521 -2.640 1.00 13.75 O ATOM 614 CB ASP A 39 -10.050 6.326 -5.867 1.00 24.16 C ATOM 615 CG ASP A 39 -10.669 7.643 -5.524 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.892 8.597 -5.244 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.889 7.804 -5.499 1.00 35.55 O ATOM 0 H ASP A 39 -8.599 4.476 -6.368 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.243 6.776 -4.729 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.644 6.369 -6.878 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.818 5.553 -5.864 1.00 24.16 H new ATOM 622 N GLN A 40 -10.045 4.433 -3.333 1.00 11.60 N ATOM 623 CA GLN A 40 -10.730 4.029 -2.095 1.00 10.76 C ATOM 624 C GLN A 40 -9.807 3.403 -1.103 1.00 8.01 C ATOM 625 O GLN A 40 -10.179 3.260 0.083 1.00 8.96 O ATOM 626 CB GLN A 40 -11.846 2.912 -2.407 1.00 11.14 C ATOM 627 CG GLN A 40 -12.988 3.366 -3.376 1.00 14.85 C ATOM 628 CD GLN A 40 -14.153 2.353 -3.473 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.985 1.167 -3.222 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.349 2.896 -3.926 1.00 18.16 N ATOM 0 H GLN A 40 -10.060 3.719 -4.061 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.157 4.946 -1.690 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.354 2.039 -2.835 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.294 2.596 -1.465 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.379 4.326 -3.040 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.569 3.523 -4.370 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.416 3.896 -4.115 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.160 2.295 -4.069 1.00 18.16 H new ATOM 639 N GLN A 41 -8.576 3.001 -1.507 1.00 6.52 N ATOM 640 CA GLN A 41 -7.534 2.549 -0.593 1.00 3.87 C ATOM 641 C GLN A 41 -6.836 3.747 0.072 1.00 4.79 C ATOM 642 O GLN A 41 -6.751 4.896 -0.466 1.00 6.34 O ATOM 643 CB GLN A 41 -6.511 1.674 -1.296 1.00 4.20 C ATOM 644 CG GLN A 41 -7.133 0.417 -1.939 1.00 3.20 C ATOM 645 CD GLN A 41 -6.010 -0.360 -2.624 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.858 -0.510 -2.178 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.422 -0.968 -3.746 1.00 7.13 N ATOM 0 H GLN A 41 -8.291 2.987 -2.486 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.018 1.948 0.177 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.009 2.259 -2.067 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.748 1.369 -0.580 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.618 -0.199 -1.182 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.900 0.697 -2.661 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.373 -0.824 -4.084 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.784 -1.575 -4.261 1.00 7.13 H new ATOM 656 N ARG A 42 -6.411 3.530 1.324 1.00 5.73 N ATOM 657 CA ARG A 42 -5.224 4.193 1.825 1.00 6.97 C ATOM 658 C ARG A 42 -4.324 3.103 2.367 1.00 7.15 C ATOM 659 O ARG A 42 -4.825 2.042 2.679 1.00 7.33 O ATOM 660 CB ARG A 42 -5.602 5.291 2.897 1.00 13.23 C ATOM 661 CG ARG A 42 -5.558 6.734 2.308 1.00 21.27 C ATOM 662 CD ARG A 42 -6.044 7.739 3.257 1.00 26.14 C ATOM 663 NE ARG A 42 -5.408 8.995 2.750 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.880 10.216 3.064 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.835 10.378 3.958 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.299 11.362 2.574 1.00 36.39 N ATOM 0 H ARG A 42 -6.870 2.909 1.990 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.698 4.740 1.042 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.601 5.089 3.284 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.914 5.224 3.740 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.535 6.975 2.020 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.162 6.772 1.401 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.132 7.806 3.256 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.739 7.513 4.279 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.589 8.924 2.146 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.234 9.567 4.430 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.175 11.314 4.177 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.490 11.300 1.956 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -5.677 12.274 2.828 1.00 36.39 H new ATOM 680 N LEU A 43 -2.997 3.358 2.501 1.00 4.65 N ATOM 681 CA LEU A 43 -2.089 2.466 3.197 1.00 3.51 C ATOM 682 C LEU A 43 -1.581 3.156 4.428 1.00 5.56 C ATOM 683 O LEU A 43 -1.360 4.363 4.367 1.00 4.19 O ATOM 684 CB LEU A 43 -0.950 2.028 2.242 1.00 3.74 C ATOM 685 CG LEU A 43 -1.417 1.314 0.963 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.221 1.010 0.100 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.275 0.093 1.306 1.00 6.41 C ATOM 0 H LEU A 43 -2.546 4.191 2.123 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.602 1.558 3.513 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.374 2.909 1.959 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.275 1.366 2.784 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.069 1.962 0.378 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.547 0.504 -0.808 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.283 1.940 -0.164 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.468 0.366 0.647 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.595 -0.397 0.386 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.691 -0.605 1.905 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.151 0.411 1.871 1.00 6.41 H new ATOM 699 N ILE A 44 -1.313 2.415 5.506 1.00 4.58 N ATOM 700 CA ILE A 44 -0.608 2.923 6.678 1.00 5.55 C ATOM 701 C ILE A 44 0.673 2.178 6.830 1.00 5.46 C ATOM 702 O ILE A 44 0.733 0.972 6.861 1.00 6.04 O ATOM 703 CB ILE A 44 -1.339 2.766 7.991 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.690 3.445 7.914 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.537 3.225 9.305 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.729 4.886 7.446 1.00 13.90 C ATOM 0 H ILE A 44 -1.584 1.435 5.587 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.488 3.990 6.490 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.455 1.690 8.122 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.322 2.859 7.247 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.144 3.402 8.904 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.160 3.066 10.185 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.377 2.638 9.397 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.283 4.282 9.226 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.760 5.239 7.441 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.137 5.504 8.121 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.318 4.953 6.439 1.00 13.90 H new ATOM 718 N PHE A 45 1.786 2.842 6.968 1.00 6.75 N ATOM 719 CA PHE A 45 3.089 2.388 7.369 1.00 4.70 C ATOM 720 C PHE A 45 3.792 3.341 8.257 1.00 6.34 C ATOM 721 O PHE A 45 3.970 4.522 7.939 1.00 5.45 O ATOM 722 CB PHE A 45 3.930 1.976 6.149 1.00 5.51 C ATOM 723 CG PHE A 45 5.369 1.590 6.375 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.712 0.360 6.993 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.419 2.500 6.147 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.955 0.107 7.502 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.677 2.257 6.648 1.00 6.64 C ATOM 728 CZ PHE A 45 7.970 1.047 7.280 1.00 6.84 C ATOM 0 H PHE A 45 1.802 3.844 6.777 1.00 6.75 H new ATOM 0 HA PHE A 45 2.941 1.496 7.978 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.431 1.134 5.669 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.914 2.803 5.439 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.958 -0.410 7.064 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.235 3.397 5.574 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.150 -0.796 8.062 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.446 3.010 6.551 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.980 0.835 7.598 1.00 6.84 H new ATOM 738 N ALA A 46 4.286 2.836 9.408 1.00 6.53 N ATOM 739 CA ALA A 46 5.211 3.590 10.323 1.00 7.15 C ATOM 740 C ALA A 46 4.754 4.997 10.803 1.00 9.00 C ATOM 741 O ALA A 46 5.563 5.968 10.841 1.00 11.15 O ATOM 742 CB ALA A 46 6.585 3.698 9.681 1.00 8.99 C ATOM 0 H ALA A 46 4.064 1.898 9.741 1.00 6.53 H new ATOM 0 HA ALA A 46 5.218 2.992 11.234 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.255 4.245 10.345 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.984 2.699 9.505 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.503 4.228 8.732 1.00 8.99 H new ATOM 748 N GLY A 47 3.468 5.066 11.202 1.00 9.35 N ATOM 749 CA GLY A 47 2.899 6.383 11.574 1.00 11.68 C ATOM 750 C GLY A 47 2.805 7.357 10.397 1.00 11.14 C ATOM 751 O GLY A 47 2.569 8.511 10.703 1.00 13.93 O ATOM 0 H GLY A 47 2.830 4.273 11.274 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.904 6.235 11.995 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.513 6.828 12.357 1.00 11.68 H new ATOM 755 N LYS A 48 2.751 6.841 9.101 1.00 10.47 N ATOM 756 CA LYS A 48 2.594 7.656 7.908 1.00 8.82 C ATOM 757 C LYS A 48 1.454 7.061 7.032 1.00 7.68 C ATOM 758 O LYS A 48 1.335 5.904 6.857 1.00 6.47 O ATOM 759 CB LYS A 48 3.847 7.650 6.981 1.00 9.74 C ATOM 760 CG LYS A 48 5.133 8.253 7.586 1.00 14.14 C ATOM 761 CD LYS A 48 5.163 9.743 7.651 1.00 16.32 C ATOM 762 CE LYS A 48 5.953 10.369 8.844 1.00 20.04 C ATOM 763 NZ LYS A 48 7.386 9.954 8.713 1.00 23.92 N ATOM 0 H LYS A 48 2.819 5.843 8.901 1.00 10.47 H new ATOM 0 HA LYS A 48 2.403 8.667 8.268 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.054 6.621 6.688 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.605 8.198 6.071 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.262 7.858 8.594 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.986 7.913 6.999 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.593 10.117 6.722 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.135 10.104 7.694 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.867 11.456 8.830 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.542 10.029 9.795 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.941 10.372 9.487 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.453 8.917 8.760 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.761 10.284 7.801 1.00 23.92 H new ATOM 777 N GLN A 49 0.579 8.009 6.529 1.00 8.89 N ATOM 778 CA GLN A 49 -0.584 7.656 5.641 1.00 7.18 C ATOM 779 C GLN A 49 -0.221 7.901 4.180 1.00 8.23 C ATOM 780 O GLN A 49 0.079 8.970 3.707 1.00 9.70 O ATOM 781 CB GLN A 49 -1.857 8.395 6.136 1.00 11.67 C ATOM 782 CG GLN A 49 -3.165 7.856 5.563 1.00 15.82 C ATOM 783 CD GLN A 49 -4.299 8.213 6.570 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.812 7.240 7.213 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.756 9.497 6.573 1.00 20.67 N ATOM 0 H GLN A 49 0.661 9.007 6.724 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.817 6.593 5.701 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.898 8.332 7.223 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.771 9.451 5.881 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.366 8.297 4.587 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.105 6.777 5.420 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.276 10.210 6.024 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.578 9.745 7.124 1.00 20.67 H new ATOM 794 N LEU A 50 -0.220 6.828 3.401 1.00 6.51 N ATOM 795 CA LEU A 50 0.641 6.808 2.254 1.00 7.41 C ATOM 796 C LEU A 50 -0.081 7.315 0.978 1.00 8.27 C ATOM 797 O LEU A 50 -1.175 6.950 0.661 1.00 8.34 O ATOM 798 CB LEU A 50 1.383 5.531 1.938 1.00 7.13 C ATOM 799 CG LEU A 50 2.015 4.845 3.142 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.436 3.409 2.768 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.107 5.626 3.863 1.00 9.11 C ATOM 0 H LEU A 50 -0.788 5.993 3.544 1.00 6.51 H new ATOM 0 HA LEU A 50 1.425 7.496 2.571 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.693 4.835 1.462 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.165 5.752 1.211 1.00 7.13 H new ATOM 0 HG LEU A 50 1.235 4.802 3.902 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.887 2.925 3.634 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.559 2.844 2.452 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.159 3.442 1.953 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.481 5.039 4.701 1.00 9.11 H new ATOM 0 HD22 LEU A 50 3.924 5.833 3.171 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.698 6.566 4.233 1.00 9.11 H new ATOM 813 N GLU A 51 0.450 8.286 0.220 1.00 9.43 N ATOM 814 CA GLU A 51 -0.155 8.943 -0.915 1.00 11.90 C ATOM 815 C GLU A 51 0.478 8.616 -2.237 1.00 11.49 C ATOM 816 O GLU A 51 1.672 8.319 -2.290 1.00 9.88 O ATOM 817 CB GLU A 51 -0.293 10.569 -0.731 1.00 16.56 C ATOM 818 CG GLU A 51 1.080 11.206 -0.263 1.00 26.06 C ATOM 819 CD GLU A 51 1.220 12.725 -0.586 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.657 13.519 0.174 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.925 13.027 -1.586 1.00 32.13 O ATOM 0 H GLU A 51 1.384 8.649 0.411 1.00 9.43 H new ATOM 0 HA GLU A 51 -1.160 8.521 -0.938 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.605 11.020 -1.673 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -1.069 10.791 0.001 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.187 11.063 0.812 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.899 10.667 -0.739 1.00 26.06 H new ATOM 828 N ASP A 52 -0.312 8.698 -3.357 1.00 12.71 N ATOM 829 CA ASP A 52 -0.093 7.975 -4.629 1.00 16.56 C ATOM 830 C ASP A 52 1.305 8.182 -5.241 1.00 15.83 C ATOM 831 O ASP A 52 1.891 7.192 -5.702 1.00 17.21 O ATOM 832 CB ASP A 52 -1.117 8.569 -5.707 1.00 21.05 C ATOM 833 CG ASP A 52 -2.497 8.484 -5.245 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.868 8.145 -4.098 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.382 8.830 -6.101 1.00 25.82 O ATOM 0 H ASP A 52 -1.141 9.291 -3.386 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.221 6.916 -4.404 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.866 9.610 -5.913 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.013 8.025 -6.646 1.00 21.05 H new ATOM 840 N GLY A 53 1.890 9.431 -5.219 1.00 15.00 N ATOM 841 CA GLY A 53 3.006 9.703 -6.065 1.00 11.77 C ATOM 842 C GLY A 53 4.312 9.581 -5.457 1.00 11.10 C ATOM 843 O GLY A 53 5.293 10.039 -6.075 1.00 11.25 O ATOM 0 H GLY A 53 1.587 10.208 -4.632 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.961 9.027 -6.919 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.902 10.716 -6.454 1.00 11.77 H new ATOM 847 N ARG A 54 4.403 9.062 -4.241 1.00 8.53 N ATOM 848 CA ARG A 54 5.629 8.774 -3.505 1.00 9.05 C ATOM 849 C ARG A 54 6.141 7.346 -3.928 1.00 8.96 C ATOM 850 O ARG A 54 5.392 6.375 -4.002 1.00 11.60 O ATOM 851 CB ARG A 54 5.304 8.782 -2.011 1.00 7.97 C ATOM 852 CG ARG A 54 4.676 10.053 -1.530 1.00 9.62 C ATOM 853 CD ARG A 54 5.646 11.271 -1.382 1.00 12.20 C ATOM 854 NE ARG A 54 4.716 12.365 -0.972 1.00 18.23 N ATOM 855 CZ ARG A 54 5.022 13.663 -0.776 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.253 14.192 -0.732 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.996 14.506 -0.841 1.00 23.38 N ATOM 0 H ARG A 54 3.570 8.814 -3.707 1.00 8.53 H new ATOM 0 HA ARG A 54 6.397 9.517 -3.720 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.633 7.952 -1.791 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.222 8.607 -1.449 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.879 10.328 -2.221 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.209 9.864 -0.564 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.417 11.089 -0.633 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.158 11.500 -2.317 1.00 12.20 H new ATOM 0 HE ARG A 54 3.742 12.101 -0.824 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.070 13.593 -0.853 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.373 15.193 -0.577 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.057 14.153 -1.029 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.147 15.505 -0.703 1.00 23.38 H new ATOM 871 N THR A 55 7.473 7.280 -4.162 1.00 9.05 N ATOM 872 CA THR A 55 8.166 6.035 -4.209 1.00 9.03 C ATOM 873 C THR A 55 8.287 5.433 -2.833 1.00 8.15 C ATOM 874 O THR A 55 8.313 6.125 -1.816 1.00 5.91 O ATOM 875 CB THR A 55 9.544 6.094 -4.812 1.00 11.15 C ATOM 876 OG1 THR A 55 10.405 6.931 -4.102 1.00 11.95 O ATOM 877 CG2 THR A 55 9.389 6.588 -6.253 1.00 11.71 C ATOM 0 H THR A 55 8.064 8.096 -4.318 1.00 9.05 H new ATOM 0 HA THR A 55 7.553 5.418 -4.866 1.00 9.03 H new ATOM 0 HB THR A 55 9.993 5.101 -4.777 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.209 6.432 -3.845 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.370 6.644 -6.726 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.757 5.895 -6.809 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.930 7.576 -6.251 1.00 11.71 H new ATOM 885 N LEU A 56 8.349 4.081 -2.873 1.00 6.91 N ATOM 886 CA LEU A 56 8.529 3.197 -1.726 1.00 8.29 C ATOM 887 C LEU A 56 9.819 3.564 -0.887 1.00 8.05 C ATOM 888 O LEU A 56 9.751 3.660 0.334 1.00 10.17 O ATOM 889 CB LEU A 56 8.591 1.692 -2.173 1.00 6.60 C ATOM 890 CG LEU A 56 7.291 1.036 -2.619 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.671 -0.229 -3.442 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.429 0.738 -1.355 1.00 8.64 C ATOM 0 H LEU A 56 8.270 3.567 -3.750 1.00 6.91 H new ATOM 0 HA LEU A 56 7.660 3.340 -1.084 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.305 1.614 -2.993 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.993 1.111 -1.343 1.00 6.60 H new ATOM 0 HG LEU A 56 6.684 1.675 -3.260 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.764 -0.729 -3.781 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.268 0.065 -4.306 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.248 -0.910 -2.817 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.493 0.267 -1.656 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.975 0.068 -0.692 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.215 1.670 -0.832 1.00 8.64 H new ATOM 904 N SER A 57 10.957 3.742 -1.547 1.00 8.92 N ATOM 905 CA SER A 57 12.280 4.194 -1.139 1.00 9.00 C ATOM 906 C SER A 57 12.288 5.541 -0.368 1.00 9.44 C ATOM 907 O SER A 57 12.988 5.677 0.637 1.00 10.91 O ATOM 908 CB SER A 57 13.378 4.252 -2.314 1.00 10.32 C ATOM 909 OG SER A 57 13.103 5.323 -3.226 1.00 13.59 O ATOM 0 H SER A 57 10.970 3.537 -2.546 1.00 8.92 H new ATOM 0 HA SER A 57 12.575 3.401 -0.452 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.370 4.384 -1.882 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.388 3.305 -2.853 1.00 10.32 H new ATOM 0 HG SER A 57 13.785 5.337 -3.929 1.00 13.59 H new ATOM 915 N ASP A 58 11.388 6.460 -0.834 1.00 9.11 N ATOM 916 CA ASP A 58 11.209 7.721 -0.199 1.00 7.91 C ATOM 917 C ASP A 58 10.621 7.565 1.177 1.00 9.12 C ATOM 918 O ASP A 58 11.083 8.217 2.169 1.00 8.61 O ATOM 919 CB ASP A 58 10.228 8.546 -1.035 1.00 8.41 C ATOM 920 CG ASP A 58 10.298 10.028 -0.653 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.930 10.404 0.471 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.945 10.794 -1.414 1.00 11.70 O ATOM 0 H ASP A 58 10.795 6.312 -1.650 1.00 9.11 H new ATOM 0 HA ASP A 58 12.182 8.205 -0.115 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.457 8.428 -2.094 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.214 8.175 -0.885 1.00 8.41 H new ATOM 927 N TYR A 59 9.678 6.638 1.329 1.00 7.97 N ATOM 928 CA TYR A 59 9.002 6.363 2.596 1.00 8.45 C ATOM 929 C TYR A 59 9.776 5.442 3.507 1.00 10.98 C ATOM 930 O TYR A 59 9.409 5.162 4.655 1.00 12.95 O ATOM 931 CB TYR A 59 7.588 5.673 2.285 1.00 7.94 C ATOM 932 CG TYR A 59 6.395 6.647 2.252 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.042 7.482 3.341 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.645 6.810 1.089 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.117 8.506 3.194 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.571 7.660 1.014 1.00 6.52 C ATOM 937 CZ TYR A 59 4.274 8.531 2.064 1.00 6.76 C ATOM 938 OH TYR A 59 3.200 9.468 1.954 1.00 7.63 O ATOM 0 H TYR A 59 9.356 6.047 0.563 1.00 7.97 H new ATOM 0 HA TYR A 59 8.897 7.319 3.108 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.651 5.163 1.324 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.397 4.910 3.039 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.502 7.318 4.304 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.920 6.244 0.211 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.043 9.281 3.942 1.00 5.39 H new ATOM 0 HE2 TYR A 59 3.948 7.655 0.132 1.00 6.52 H new ATOM 0 HH TYR A 59 3.522 10.285 1.520 1.00 7.63 H new ATOM 948 N ASN A 60 10.869 4.842 2.955 1.00 12.38 N ATOM 949 CA ASN A 60 11.761 3.907 3.622 1.00 13.94 C ATOM 950 C ASN A 60 11.121 2.540 3.790 1.00 14.16 C ATOM 951 O ASN A 60 11.257 1.896 4.848 1.00 14.26 O ATOM 952 CB ASN A 60 12.382 4.387 4.997 1.00 19.23 C ATOM 953 CG ASN A 60 12.962 5.822 4.910 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.562 6.738 5.650 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.046 6.015 4.083 1.00 24.09 N ATOM 0 H ASN A 60 11.146 5.019 1.989 1.00 12.38 H new ATOM 0 HA ASN A 60 12.607 3.846 2.937 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.615 4.353 5.771 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.170 3.697 5.298 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.527 6.914 4.074 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.368 5.259 3.479 1.00 24.09 H new ATOM 962 N ILE A 61 10.469 2.043 2.737 1.00 11.08 N ATOM 963 CA ILE A 61 9.883 0.678 2.901 1.00 11.78 C ATOM 964 C ILE A 61 10.913 -0.350 2.418 1.00 13.74 C ATOM 965 O ILE A 61 11.165 -0.302 1.252 1.00 14.60 O ATOM 966 CB ILE A 61 8.505 0.693 2.117 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.468 1.622 2.805 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.929 -0.754 2.014 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.259 2.047 1.994 1.00 11.42 C ATOM 0 H ILE A 61 10.331 2.499 1.835 1.00 11.08 H new ATOM 0 HA ILE A 61 9.665 0.395 3.931 1.00 11.78 H new ATOM 0 HB ILE A 61 8.697 1.081 1.117 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.110 1.119 3.703 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.988 2.523 3.130 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.983 -0.731 1.474 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.636 -1.390 1.481 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.766 -1.153 3.015 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.623 2.692 2.600 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.588 2.590 1.108 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.696 1.164 1.690 1.00 11.42 H new ATOM 981 N GLN A 62 11.482 -1.179 3.317 1.00 13.97 N ATOM 982 CA GLN A 62 12.520 -2.126 3.074 1.00 15.52 C ATOM 983 C GLN A 62 11.983 -3.507 2.657 1.00 13.94 C ATOM 984 O GLN A 62 10.716 -3.723 2.661 1.00 12.15 O ATOM 985 CB GLN A 62 13.439 -2.155 4.294 1.00 19.53 C ATOM 986 CG GLN A 62 13.892 -0.778 4.840 1.00 26.38 C ATOM 987 CD GLN A 62 14.544 0.062 3.734 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.953 0.965 3.105 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.801 -0.281 3.455 1.00 32.71 N ATOM 0 H GLN A 62 11.187 -1.182 4.293 1.00 13.97 H new ATOM 0 HA GLN A 62 13.108 -1.814 2.211 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.929 -2.690 5.095 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.328 -2.732 4.040 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.034 -0.245 5.249 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.598 -0.921 5.658 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.257 -1.023 3.986 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.307 0.198 2.710 1.00 32.71 H new ATOM 998 N LYS A 63 12.898 -4.393 2.349 1.00 11.73 N ATOM 999 CA LYS A 63 12.586 -5.796 2.086 1.00 11.97 C ATOM 1000 C LYS A 63 11.826 -6.560 3.188 1.00 10.41 C ATOM 1001 O LYS A 63 12.172 -6.491 4.350 1.00 9.59 O ATOM 1002 CB LYS A 63 13.821 -6.512 1.519 1.00 13.73 C ATOM 1003 CG LYS A 63 14.957 -6.857 2.586 1.00 16.98 C ATOM 1004 CD LYS A 63 16.233 -7.424 1.934 1.00 20.19 C ATOM 1005 CE LYS A 63 16.004 -8.676 0.999 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.174 -9.427 1.012 1.00 25.97 N ATOM 0 H LYS A 63 13.890 -4.170 2.271 1.00 11.73 H new ATOM 0 HA LYS A 63 11.816 -5.794 1.314 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.498 -7.438 1.044 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.256 -5.888 0.738 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.209 -5.956 3.146 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.568 -7.580 3.303 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.706 -6.635 1.350 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.933 -7.701 2.722 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.163 -9.271 1.354 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.764 -8.358 -0.016 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.057 -10.262 0.404 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.962 -8.848 0.657 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.379 -9.733 1.985 1.00 25.97 H new ATOM 1020 N GLU A 64 10.698 -7.235 2.826 1.00 10.04 N ATOM 1021 CA GLU A 64 9.951 -8.105 3.669 1.00 10.94 C ATOM 1022 C GLU A 64 9.167 -7.335 4.696 1.00 9.74 C ATOM 1023 O GLU A 64 8.698 -7.899 5.648 1.00 9.42 O ATOM 1024 CB GLU A 64 10.810 -9.317 4.185 1.00 18.31 C ATOM 1025 CG GLU A 64 11.422 -10.262 3.010 1.00 24.16 C ATOM 1026 CD GLU A 64 12.315 -11.295 3.553 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.908 -12.007 4.518 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.471 -11.414 3.087 1.00 32.61 O ATOM 0 H GLU A 64 10.299 -7.158 1.890 1.00 10.04 H new ATOM 0 HA GLU A 64 9.178 -8.600 3.081 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.632 -8.932 4.789 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.192 -9.930 4.841 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.607 -10.736 2.463 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.969 -9.646 2.296 1.00 24.16 H new ATOM 1035 N SER A 65 9.076 -5.990 4.565 1.00 6.85 N ATOM 1036 CA SER A 65 8.254 -5.026 5.342 1.00 6.90 C ATOM 1037 C SER A 65 6.788 -5.195 5.132 1.00 4.72 C ATOM 1038 O SER A 65 6.346 -5.652 4.037 1.00 3.91 O ATOM 1039 CB SER A 65 8.703 -3.518 5.038 1.00 7.28 C ATOM 1040 OG SER A 65 8.170 -2.559 5.969 1.00 10.56 O ATOM 0 H SER A 65 9.623 -5.508 3.851 1.00 6.85 H new ATOM 0 HA SER A 65 8.439 -5.246 6.393 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.791 -3.462 5.054 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.385 -3.249 4.031 1.00 7.28 H new ATOM 0 HG SER A 65 8.482 -1.662 5.729 1.00 10.56 H new ATOM 1046 N THR A 66 5.972 -4.795 6.110 1.00 4.48 N ATOM 1047 CA THR A 66 4.543 -5.055 6.140 1.00 3.80 C ATOM 1048 C THR A 66 3.877 -3.704 6.072 1.00 4.60 C ATOM 1049 O THR A 66 4.288 -2.819 6.832 1.00 5.33 O ATOM 1050 CB THR A 66 4.136 -5.837 7.389 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.804 -7.084 7.581 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.601 -6.197 7.477 1.00 3.40 C ATOM 0 H THR A 66 6.301 -4.269 6.920 1.00 4.48 H new ATOM 0 HA THR A 66 4.236 -5.683 5.303 1.00 3.80 H new ATOM 0 HB THR A 66 4.426 -5.117 8.154 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.478 -7.506 8.403 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.409 -6.751 8.396 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.012 -5.280 7.476 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.321 -6.809 6.620 1.00 3.40 H new ATOM 1060 N LEU A 67 2.922 -3.551 5.191 1.00 4.17 N ATOM 1061 CA LEU A 67 2.067 -2.347 5.096 1.00 3.85 C ATOM 1062 C LEU A 67 0.710 -2.668 5.671 1.00 3.80 C ATOM 1063 O LEU A 67 0.198 -3.822 5.654 1.00 5.54 O ATOM 1064 CB LEU A 67 1.788 -2.046 3.569 1.00 7.18 C ATOM 1065 CG LEU A 67 3.092 -1.632 2.790 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.869 -1.427 1.285 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.717 -0.346 3.406 1.00 11.66 C ATOM 0 H LEU A 67 2.695 -4.262 4.496 1.00 4.17 H new ATOM 0 HA LEU A 67 2.559 -1.521 5.610 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.354 -2.929 3.101 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.051 -1.247 3.488 1.00 7.18 H new ATOM 0 HG LEU A 67 3.780 -2.470 2.898 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.810 -1.143 0.813 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.505 -2.354 0.841 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.133 -0.638 1.130 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.617 -0.078 2.853 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.998 0.471 3.348 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.974 -0.530 4.449 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.029 -1.659 6.155 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.401 -1.901 6.615 1.00 4.17 C ATOM 1081 C HIS A 68 -2.356 -1.178 5.660 1.00 5.32 C ATOM 1082 O HIS A 68 -1.986 -0.147 5.139 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.461 -1.274 8.043 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.190 -2.182 9.217 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.634 -1.989 10.543 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.491 -3.309 9.217 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.105 -3.044 11.243 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.450 -3.909 10.453 1.00 16.30 N ATOM 0 H HIS A 68 0.290 -0.694 6.237 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.678 -2.955 6.637 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.744 -0.454 8.080 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.451 -0.838 8.177 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.006 -3.712 8.340 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.205 -3.165 12.312 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.023 -4.799 10.709 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.554 -1.745 5.447 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.452 -1.249 4.437 1.00 3.97 C ATOM 1098 C LEU A 69 -5.600 -0.511 5.170 1.00 5.07 C ATOM 1099 O LEU A 69 -6.082 -1.010 6.219 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.987 -2.437 3.650 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.179 -2.276 2.608 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.752 -1.505 1.241 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.813 -3.677 2.197 1.00 9.96 C ATOM 0 H LEU A 69 -3.907 -2.546 5.970 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.959 -0.566 3.745 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.144 -2.861 3.104 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.302 -3.184 4.379 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.913 -1.669 3.139 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.615 -1.433 0.579 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.396 -0.504 1.484 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.958 -2.061 0.742 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.622 -3.515 1.485 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.047 -4.303 1.740 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.205 -4.173 3.085 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.063 0.613 4.670 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.233 1.341 5.232 1.00 6.26 C ATOM 1117 C VAL A 70 -7.973 1.930 4.091 1.00 9.22 C ATOM 1118 O VAL A 70 -7.567 1.748 2.937 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.980 2.437 6.300 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.624 1.763 7.628 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.948 3.443 5.787 1.00 8.54 C ATOM 0 H VAL A 70 -5.652 1.070 3.856 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.784 0.588 5.794 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.877 3.027 6.489 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.444 2.525 8.386 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.449 1.124 7.944 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.726 1.159 7.500 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.778 4.208 6.545 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.011 2.927 5.575 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.319 3.911 4.875 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.042 2.765 4.357 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.855 3.259 3.257 1.00 16.06 C ATOM 1133 C LEU A 71 -9.964 4.794 3.224 1.00 18.09 C ATOM 1134 O LEU A 71 -9.864 5.394 4.280 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.226 2.636 3.282 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.302 1.157 3.102 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.755 0.656 3.344 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.879 0.705 1.760 1.00 19.57 C ATOM 0 H LEU A 71 -9.324 3.078 5.286 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.341 2.962 2.343 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.694 2.886 4.234 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.825 3.103 2.500 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.612 0.736 3.833 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.794 -0.425 3.209 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.062 0.906 4.360 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.428 1.135 2.633 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.960 -0.380 1.699 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.520 1.159 1.004 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.845 1.002 1.585 1.00 19.57 H new