USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.792 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.919 K(o=1.7,f=0.28) USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00571 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.0257) USER MOD Single : A 1 MET N :NH3+ 138:sc= 1.21 (180deg=0.867) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.914) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.0545 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.52 (180deg=0.98) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 0.144 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.000938 K(o=-0.00094,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0.69 K(o=0.69,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.431 K(o=0.43,f=-6.4!) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.852 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=-0.0025) 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= 0.174 K(o=0.17,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.874 -6.706 -4.509 1.00 9.67 N ATOM 2 CA MET A 1 11.651 -7.249 -3.211 1.00 10.38 C ATOM 3 C MET A 1 10.196 -7.409 -2.860 1.00 9.62 C ATOM 4 O MET A 1 9.298 -6.827 -3.483 1.00 9.62 O ATOM 5 CB MET A 1 12.237 -6.164 -2.189 1.00 13.77 C ATOM 6 CG MET A 1 11.671 -4.715 -2.263 1.00 16.29 C ATOM 7 SD MET A 1 12.290 -3.550 -1.030 1.00 17.17 S ATOM 8 CE MET A 1 10.711 -2.613 -0.849 1.00 16.11 C ATOM 0 H1 MET A 1 12.642 -6.006 -4.465 1.00 9.67 H new ATOM 0 H2 MET A 1 12.138 -7.469 -5.164 1.00 9.67 H new ATOM 0 H3 MET A 1 11.005 -6.245 -4.847 1.00 9.67 H new ATOM 0 HA MET A 1 12.111 -8.236 -3.170 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.075 -6.535 -1.177 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.315 -6.110 -2.340 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.888 -4.313 -3.253 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.586 -4.766 -2.171 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.898 -1.687 -0.305 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.311 -2.380 -1.836 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.990 -3.218 -0.299 1.00 16.11 H new ATOM 20 N GLN A 2 9.974 -8.238 -1.841 1.00 9.27 N ATOM 21 CA GLN A 2 8.596 -8.497 -1.359 1.00 9.07 C ATOM 22 C GLN A 2 8.149 -7.726 -0.141 1.00 8.72 C ATOM 23 O GLN A 2 8.787 -7.730 0.932 1.00 8.22 O ATOM 24 CB GLN A 2 8.553 -9.946 -1.014 1.00 14.46 C ATOM 25 CG GLN A 2 8.677 -10.899 -2.225 1.00 17.01 C ATOM 26 CD GLN A 2 8.408 -12.363 -1.905 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.395 -12.960 -2.181 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.366 -12.963 -1.105 1.00 19.49 N ATOM 0 H GLN A 2 10.705 -8.738 -1.335 1.00 9.27 H new ATOM 0 HA GLN A 2 7.922 -8.177 -2.154 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.359 -10.163 -0.313 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.616 -10.156 -0.498 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.981 -10.575 -2.999 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.681 -10.809 -2.641 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.222 -12.461 -0.871 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.215 -13.907 -0.750 1.00 19.49 H new ATOM 37 N ILE A 3 6.964 -7.057 -0.291 1.00 5.87 N ATOM 38 CA ILE A 3 6.346 -6.538 0.899 1.00 5.07 C ATOM 39 C ILE A 3 4.996 -7.154 1.136 1.00 4.01 C ATOM 40 O ILE A 3 4.376 -7.718 0.264 1.00 4.61 O ATOM 41 CB ILE A 3 6.060 -4.995 0.748 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.397 -4.723 -0.630 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.353 -4.164 0.890 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.072 -3.220 -0.894 1.00 10.83 C ATOM 0 H ILE A 3 6.473 -6.889 -1.169 1.00 5.87 H new ATOM 0 HA ILE A 3 7.037 -6.759 1.713 1.00 5.07 H new ATOM 0 HB ILE A 3 5.383 -4.692 1.547 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.059 -5.084 -1.417 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.475 -5.301 -0.698 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.119 -3.105 0.780 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.792 -4.339 1.872 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.063 -4.460 0.118 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.611 -3.114 -1.876 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.385 -2.857 -0.130 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.993 -2.637 -0.860 1.00 10.83 H new ATOM 56 N PHE A 4 4.551 -7.050 2.382 1.00 4.55 N ATOM 57 CA PHE A 4 3.288 -7.605 2.923 1.00 4.68 C ATOM 58 C PHE A 4 2.276 -6.572 3.267 1.00 5.30 C ATOM 59 O PHE A 4 2.654 -5.606 3.947 1.00 5.58 O ATOM 60 CB PHE A 4 3.526 -8.346 4.261 1.00 4.83 C ATOM 61 CG PHE A 4 4.469 -9.514 4.059 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.007 -10.761 3.505 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.831 -9.473 4.419 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.862 -11.887 3.314 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.690 -10.617 4.297 1.00 10.61 C ATOM 66 CZ PHE A 4 6.197 -11.787 3.681 1.00 8.90 C ATOM 0 H PHE A 4 5.083 -6.549 3.094 1.00 4.55 H new ATOM 0 HA PHE A 4 2.931 -8.253 2.122 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.943 -7.657 4.996 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.576 -8.702 4.660 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.968 -10.847 3.222 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.242 -8.550 4.800 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.477 -12.803 2.891 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.702 -10.582 4.672 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.866 -12.614 3.493 1.00 8.90 H new ATOM 76 N VAL A 5 1.026 -6.667 2.836 1.00 4.44 N ATOM 77 CA VAL A 5 0.038 -5.575 3.116 1.00 3.87 C ATOM 78 C VAL A 5 -1.132 -6.235 3.894 1.00 4.93 C ATOM 79 O VAL A 5 -1.776 -7.186 3.398 1.00 6.84 O ATOM 80 CB VAL A 5 -0.524 -4.987 1.871 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.706 -4.062 2.263 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.507 -4.164 1.148 1.00 9.13 C ATOM 0 H VAL A 5 0.656 -7.455 2.304 1.00 4.44 H new ATOM 0 HA VAL A 5 0.536 -4.777 3.666 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.849 -5.794 1.214 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.135 -3.619 1.364 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.469 -4.645 2.779 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.346 -3.271 2.921 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.069 -3.746 0.242 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.845 -3.354 1.794 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.356 -4.795 0.883 1.00 9.13 H new ATOM 92 N LYS A 6 -1.248 -5.839 5.169 1.00 6.04 N ATOM 93 CA LYS A 6 -2.216 -6.402 6.169 1.00 6.12 C ATOM 94 C LYS A 6 -3.539 -5.757 6.146 1.00 6.57 C ATOM 95 O LYS A 6 -3.673 -4.507 6.128 1.00 5.76 O ATOM 96 CB LYS A 6 -1.649 -6.413 7.574 1.00 7.45 C ATOM 97 CG LYS A 6 -2.251 -7.469 8.537 1.00 11.12 C ATOM 98 CD LYS A 6 -1.563 -7.600 9.948 1.00 14.54 C ATOM 99 CE LYS A 6 -2.049 -8.816 10.713 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.916 -9.581 11.260 1.00 20.55 N ATOM 0 H LYS A 6 -0.664 -5.100 5.561 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.370 -7.434 5.854 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.574 -6.579 7.510 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.794 -5.425 8.012 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.304 -7.231 8.690 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.212 -8.441 8.046 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.482 -7.662 9.819 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.763 -6.702 10.532 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.706 -8.502 11.524 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.639 -9.453 10.054 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.274 -10.408 11.779 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.304 -9.899 10.482 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.369 -8.977 11.906 1.00 20.55 H new ATOM 114 N THR A 7 -4.602 -6.565 6.252 1.00 7.41 N ATOM 115 CA THR A 7 -5.997 -6.041 6.237 1.00 7.48 C ATOM 116 C THR A 7 -6.614 -5.783 7.613 1.00 8.75 C ATOM 117 O THR A 7 -6.115 -6.214 8.650 1.00 8.58 O ATOM 118 CB THR A 7 -6.956 -6.863 5.440 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.207 -8.108 6.058 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.403 -7.148 4.006 1.00 9.17 C ATOM 0 H THR A 7 -4.536 -7.578 6.349 1.00 7.41 H new ATOM 0 HA THR A 7 -5.854 -5.079 5.744 1.00 7.48 H new ATOM 0 HB THR A 7 -7.878 -6.285 5.379 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.953 -8.554 5.605 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.124 -7.748 3.451 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.239 -6.205 3.485 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.460 -7.690 4.081 1.00 9.17 H new ATOM 128 N LEU A 8 -7.756 -5.047 7.642 1.00 9.84 N ATOM 129 CA LEU A 8 -8.537 -4.772 8.878 1.00 14.15 C ATOM 130 C LEU A 8 -8.984 -6.071 9.680 1.00 17.37 C ATOM 131 O LEU A 8 -9.135 -6.000 10.909 1.00 17.01 O ATOM 132 CB LEU A 8 -9.747 -3.911 8.556 1.00 16.63 C ATOM 133 CG LEU A 8 -9.460 -2.432 8.175 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.783 -1.684 7.767 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.754 -1.717 9.283 1.00 18.59 C ATOM 0 H LEU A 8 -8.162 -4.626 6.806 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.857 -4.237 9.541 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.289 -4.377 7.733 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.412 -3.919 9.420 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.800 -2.434 7.308 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.551 -0.651 7.506 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.233 -2.183 6.909 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.482 -1.699 8.603 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.566 -0.685 8.988 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.375 -1.731 10.179 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.806 -2.213 9.490 1.00 18.59 H new ATOM 147 N THR A 9 -9.177 -7.226 9.003 1.00 18.33 N ATOM 148 CA THR A 9 -9.501 -8.478 9.609 1.00 19.24 C ATOM 149 C THR A 9 -8.282 -9.381 9.716 1.00 19.48 C ATOM 150 O THR A 9 -8.382 -10.451 10.229 1.00 23.14 O ATOM 151 CB THR A 9 -10.603 -9.161 8.787 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.159 -9.296 7.446 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.860 -8.323 8.790 1.00 19.70 C ATOM 0 H THR A 9 -9.102 -7.283 7.987 1.00 18.33 H new ATOM 0 HA THR A 9 -9.855 -8.293 10.623 1.00 19.24 H new ATOM 0 HB THR A 9 -10.817 -10.135 9.226 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.856 -9.733 6.913 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.631 -8.822 8.203 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.210 -8.195 9.814 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.647 -7.346 8.355 1.00 19.70 H new ATOM 161 N GLY A 10 -7.102 -8.950 9.164 1.00 19.43 N ATOM 162 CA GLY A 10 -5.815 -9.537 9.472 1.00 18.74 C ATOM 163 C GLY A 10 -5.199 -10.337 8.387 1.00 17.62 C ATOM 164 O GLY A 10 -4.036 -10.801 8.454 1.00 19.74 O ATOM 0 H GLY A 10 -7.050 -8.182 8.495 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.127 -8.737 9.744 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.927 -10.174 10.350 1.00 18.74 H new ATOM 168 N LYS A 11 -5.982 -10.634 7.327 1.00 13.56 N ATOM 169 CA LYS A 11 -5.484 -11.265 6.112 1.00 11.91 C ATOM 170 C LYS A 11 -4.259 -10.498 5.510 1.00 10.18 C ATOM 171 O LYS A 11 -4.089 -9.293 5.666 1.00 9.10 O ATOM 172 CB LYS A 11 -6.608 -11.348 5.056 1.00 13.43 C ATOM 173 CG LYS A 11 -6.327 -12.148 3.750 1.00 16.69 C ATOM 174 CD LYS A 11 -5.649 -11.307 2.603 1.00 17.92 C ATOM 175 CE LYS A 11 -6.592 -10.672 1.608 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.374 -11.680 0.880 1.00 21.93 N ATOM 0 H LYS A 11 -6.982 -10.436 7.303 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.153 -12.268 6.382 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.484 -11.787 5.534 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.876 -10.330 4.773 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.686 -12.996 3.989 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.268 -12.554 3.378 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.050 -10.520 3.061 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -4.961 -11.956 2.060 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.268 -9.994 2.129 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.022 -10.072 0.899 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.744 -11.264 0.001 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.766 -12.492 0.650 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.167 -11.999 1.473 1.00 21.93 H new ATOM 190 N THR A 12 -3.255 -11.229 4.902 1.00 9.63 N ATOM 191 CA THR A 12 -1.984 -10.656 4.355 1.00 9.85 C ATOM 192 C THR A 12 -1.797 -11.023 2.931 1.00 11.66 C ATOM 193 O THR A 12 -1.854 -12.193 2.491 1.00 12.33 O ATOM 194 CB THR A 12 -0.729 -10.998 5.103 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.075 -11.195 6.458 1.00 10.91 O ATOM 196 CG2 THR A 12 0.328 -9.939 5.055 1.00 9.63 C ATOM 0 H THR A 12 -3.316 -12.240 4.782 1.00 9.63 H new ATOM 0 HA THR A 12 -2.127 -9.582 4.476 1.00 9.85 H new ATOM 0 HB THR A 12 -0.311 -11.884 4.625 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.272 -11.422 6.971 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.199 -10.269 5.621 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.615 -9.758 4.019 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.060 -9.018 5.490 1.00 9.63 H new ATOM 204 N ILE A 13 -1.603 -9.971 2.086 1.00 10.42 N ATOM 205 CA ILE A 13 -1.314 -10.027 0.657 1.00 11.84 C ATOM 206 C ILE A 13 0.165 -9.584 0.339 1.00 10.55 C ATOM 207 O ILE A 13 0.696 -8.602 0.854 1.00 11.92 O ATOM 208 CB ILE A 13 -2.324 -9.399 -0.299 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.796 -8.070 0.302 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.463 -10.413 -0.508 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.750 -7.296 -0.594 1.00 16.46 C ATOM 0 H ILE A 13 -1.651 -9.010 2.424 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.428 -11.089 0.437 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.897 -9.174 -1.276 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.287 -8.267 1.255 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.926 -7.448 0.514 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.204 -9.993 -1.189 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.059 -11.332 -0.933 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.934 -10.633 0.450 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.040 -6.368 -0.101 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.257 -7.067 -1.539 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.638 -7.898 -0.785 1.00 16.46 H new ATOM 223 N THR A 14 0.842 -10.408 -0.489 1.00 9.39 N ATOM 224 CA THR A 14 2.231 -10.345 -0.771 1.00 9.63 C ATOM 225 C THR A 14 2.437 -9.817 -2.145 1.00 11.20 C ATOM 226 O THR A 14 1.938 -10.337 -3.106 1.00 11.63 O ATOM 227 CB THR A 14 2.908 -11.675 -0.730 1.00 10.38 C ATOM 228 OG1 THR A 14 2.697 -12.301 0.513 1.00 16.30 O ATOM 229 CG2 THR A 14 4.456 -11.604 -0.785 1.00 11.66 C ATOM 0 H THR A 14 0.378 -11.166 -0.990 1.00 9.39 H new ATOM 0 HA THR A 14 2.658 -9.704 0.000 1.00 9.63 H new ATOM 0 HB THR A 14 2.492 -12.193 -1.594 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.325 -11.939 1.172 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.868 -12.613 -0.750 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.765 -11.117 -1.710 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.824 -11.032 0.067 1.00 11.66 H new ATOM 237 N LEU A 15 3.186 -8.744 -2.184 1.00 8.29 N ATOM 238 CA LEU A 15 3.395 -7.995 -3.398 1.00 9.03 C ATOM 239 C LEU A 15 4.826 -7.931 -3.641 1.00 8.59 C ATOM 240 O LEU A 15 5.604 -7.849 -2.675 1.00 7.79 O ATOM 241 CB LEU A 15 2.820 -6.553 -3.316 1.00 11.08 C ATOM 242 CG LEU A 15 1.413 -6.435 -2.660 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.002 -5.000 -2.305 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.312 -7.088 -3.504 1.00 15.27 C ATOM 0 H LEU A 15 3.670 -8.363 -1.371 1.00 8.29 H new ATOM 0 HA LEU A 15 2.871 -8.499 -4.210 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.518 -5.932 -2.754 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.768 -6.142 -4.324 1.00 11.08 H new ATOM 0 HG LEU A 15 1.517 -6.983 -1.724 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.010 -5.007 -1.853 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.719 -4.580 -1.600 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.984 -4.392 -3.210 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.648 -6.976 -2.999 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.267 -6.605 -4.480 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.533 -8.148 -3.633 1.00 15.27 H new ATOM 256 N GLU A 16 5.307 -7.980 -4.930 1.00 11.04 N ATOM 257 CA GLU A 16 6.701 -7.857 -5.324 1.00 11.50 C ATOM 258 C GLU A 16 6.933 -6.527 -6.149 1.00 10.13 C ATOM 259 O GLU A 16 6.239 -6.203 -7.116 1.00 9.83 O ATOM 260 CB GLU A 16 7.101 -9.117 -6.069 1.00 17.22 C ATOM 261 CG GLU A 16 8.670 -9.297 -6.205 1.00 23.33 C ATOM 262 CD GLU A 16 9.172 -10.403 -7.074 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.004 -10.437 -8.317 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.670 -11.331 -6.382 1.00 28.86 O ATOM 0 H GLU A 16 4.688 -8.112 -5.730 1.00 11.04 H new ATOM 0 HA GLU A 16 7.347 -7.769 -4.451 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.687 -9.983 -5.552 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.657 -9.098 -7.064 1.00 17.22 H new ATOM 0 HG2 GLU A 16 9.083 -8.361 -6.582 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.078 -9.445 -5.205 1.00 23.33 H new ATOM 271 N VAL A 17 7.872 -5.712 -5.567 1.00 8.99 N ATOM 272 CA VAL A 17 8.048 -4.340 -5.917 1.00 8.85 C ATOM 273 C VAL A 17 9.525 -4.032 -5.906 1.00 8.04 C ATOM 274 O VAL A 17 10.316 -4.716 -5.235 1.00 8.99 O ATOM 275 CB VAL A 17 7.273 -3.340 -4.971 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.745 -3.556 -5.221 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.623 -3.618 -3.493 1.00 10.54 C ATOM 0 H VAL A 17 8.512 -6.032 -4.840 1.00 8.99 H new ATOM 0 HA VAL A 17 7.622 -4.195 -6.910 1.00 8.85 H new ATOM 0 HB VAL A 17 7.555 -2.309 -5.186 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.173 -2.881 -4.584 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.515 -3.350 -6.266 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.480 -4.587 -4.987 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.081 -2.921 -2.854 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.340 -4.639 -3.238 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.695 -3.490 -3.343 1.00 10.54 H new ATOM 287 N GLU A 18 9.961 -2.964 -6.544 1.00 7.29 N ATOM 288 CA GLU A 18 11.276 -2.362 -6.294 1.00 7.08 C ATOM 289 C GLU A 18 11.044 -1.302 -5.291 1.00 6.45 C ATOM 290 O GLU A 18 9.860 -0.915 -5.182 1.00 5.28 O ATOM 291 CB GLU A 18 11.873 -1.755 -7.527 1.00 10.28 C ATOM 292 CG GLU A 18 12.303 -2.891 -8.507 1.00 12.65 C ATOM 293 CD GLU A 18 13.097 -3.909 -7.720 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.995 -3.539 -6.884 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.866 -5.102 -7.948 1.00 14.33 O ATOM 0 H GLU A 18 9.417 -2.479 -7.257 1.00 7.29 H new ATOM 0 HA GLU A 18 11.977 -3.125 -5.957 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.149 -1.098 -8.009 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.734 -1.141 -7.263 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.427 -3.357 -8.959 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.904 -2.485 -9.321 1.00 12.65 H new ATOM 302 N PRO A 19 11.918 -0.847 -4.439 1.00 7.24 N ATOM 303 CA PRO A 19 11.632 0.288 -3.599 1.00 7.07 C ATOM 304 C PRO A 19 11.476 1.579 -4.400 1.00 6.65 C ATOM 305 O PRO A 19 11.104 2.544 -3.714 1.00 6.37 O ATOM 306 CB PRO A 19 12.798 0.153 -2.630 1.00 7.61 C ATOM 307 CG PRO A 19 13.938 -0.165 -3.663 1.00 8.16 C ATOM 308 CD PRO A 19 13.280 -1.301 -4.468 1.00 7.49 C ATOM 0 HA PRO A 19 10.676 0.323 -3.077 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.984 1.066 -2.065 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.652 -0.647 -1.904 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.185 0.695 -4.286 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.861 -0.482 -3.177 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.674 -1.381 -5.481 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.407 -2.276 -3.999 1.00 7.49 H new ATOM 316 N SER A 20 11.797 1.597 -5.711 1.00 6.80 N ATOM 317 CA SER A 20 11.727 2.717 -6.644 1.00 6.28 C ATOM 318 C SER A 20 10.340 2.703 -7.236 1.00 8.45 C ATOM 319 O SER A 20 9.990 3.491 -8.096 1.00 7.26 O ATOM 320 CB SER A 20 12.775 2.510 -7.741 1.00 8.57 C ATOM 321 OG SER A 20 12.731 1.196 -8.377 1.00 11.13 O ATOM 0 H SER A 20 12.139 0.754 -6.172 1.00 6.80 H new ATOM 0 HA SER A 20 11.923 3.670 -6.153 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.639 3.275 -8.505 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.766 2.660 -7.313 1.00 8.57 H new ATOM 0 HG SER A 20 13.427 1.142 -9.065 1.00 11.13 H new ATOM 327 N ASP A 21 9.480 1.779 -6.714 1.00 7.50 N ATOM 328 CA ASP A 21 8.132 1.591 -7.231 1.00 7.70 C ATOM 329 C ASP A 21 7.278 2.597 -6.413 1.00 7.08 C ATOM 330 O ASP A 21 7.493 2.827 -5.186 1.00 8.11 O ATOM 331 CB ASP A 21 7.637 0.154 -7.156 1.00 11.00 C ATOM 332 CG ASP A 21 8.148 -0.647 -8.371 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.602 -0.089 -9.347 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.012 -1.872 -8.347 1.00 14.36 O ATOM 0 H ASP A 21 9.717 1.163 -5.936 1.00 7.50 H new ATOM 0 HA ASP A 21 8.074 1.783 -8.302 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.983 -0.310 -6.233 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.547 0.137 -7.132 1.00 11.00 H new ATOM 339 N THR A 22 6.248 3.230 -7.087 1.00 5.37 N ATOM 340 CA THR A 22 5.394 4.291 -6.523 1.00 6.01 C ATOM 341 C THR A 22 4.267 3.581 -5.829 1.00 8.01 C ATOM 342 O THR A 22 3.921 2.462 -6.239 1.00 8.11 O ATOM 343 CB THR A 22 4.980 5.413 -7.444 1.00 8.92 C ATOM 344 OG1 THR A 22 4.388 4.978 -8.651 1.00 10.22 O ATOM 345 CG2 THR A 22 6.138 6.306 -7.723 1.00 9.65 C ATOM 0 H THR A 22 6.004 2.996 -8.049 1.00 5.37 H new ATOM 0 HA THR A 22 5.982 4.884 -5.822 1.00 6.01 H new ATOM 0 HB THR A 22 4.204 5.966 -6.915 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.145 5.756 -9.195 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.825 7.111 -8.388 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.504 6.730 -6.788 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.934 5.732 -8.197 1.00 9.65 H new ATOM 353 N ILE A 23 3.701 4.204 -4.784 1.00 8.32 N ATOM 354 CA ILE A 23 2.548 3.794 -4.027 1.00 9.92 C ATOM 355 C ILE A 23 1.274 3.497 -4.931 1.00 10.01 C ATOM 356 O ILE A 23 0.584 2.512 -4.716 1.00 8.71 O ATOM 357 CB ILE A 23 2.264 4.751 -2.898 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.507 5.022 -1.996 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.052 4.342 -1.930 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.170 3.774 -1.596 1.00 12.30 C ATOM 0 H ILE A 23 4.085 5.081 -4.431 1.00 8.32 H new ATOM 0 HA ILE A 23 2.795 2.834 -3.574 1.00 9.92 H new ATOM 0 HB ILE A 23 1.975 5.651 -3.441 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.215 5.654 -2.532 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.198 5.572 -1.107 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.935 5.099 -1.154 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.132 4.271 -2.510 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.265 3.378 -1.468 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.031 4.004 -0.969 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.470 3.153 -1.037 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.502 3.237 -2.485 1.00 12.30 H new ATOM 372 N GLU A 24 1.040 4.404 -5.947 1.00 9.54 N ATOM 373 CA GLU A 24 0.132 4.246 -7.040 1.00 11.81 C ATOM 374 C GLU A 24 0.243 2.833 -7.776 1.00 11.14 C ATOM 375 O GLU A 24 -0.807 2.159 -7.961 1.00 10.62 O ATOM 376 CB GLU A 24 0.432 5.346 -8.045 1.00 19.24 C ATOM 377 CG GLU A 24 -0.366 5.285 -9.394 1.00 27.76 C ATOM 378 CD GLU A 24 -0.330 6.605 -10.103 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.619 7.426 -9.977 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.220 6.786 -10.952 1.00 36.51 O ATOM 0 H GLU A 24 1.530 5.298 -5.984 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.880 4.303 -6.639 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.232 6.307 -7.571 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.497 5.319 -8.275 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.057 4.512 -10.036 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.400 5.003 -9.196 1.00 27.76 H new ATOM 387 N ASN A 25 1.481 2.328 -8.022 1.00 9.43 N ATOM 388 CA ASN A 25 1.736 0.981 -8.522 1.00 10.96 C ATOM 389 C ASN A 25 1.761 -0.126 -7.466 1.00 9.68 C ATOM 390 O ASN A 25 1.716 -1.293 -7.783 1.00 9.33 O ATOM 391 CB ASN A 25 3.088 0.988 -9.237 1.00 16.78 C ATOM 392 CG ASN A 25 2.933 1.843 -10.500 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.425 1.358 -11.522 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.384 3.115 -10.410 1.00 24.70 N ATOM 0 H ASN A 25 2.334 2.867 -7.871 1.00 9.43 H new ATOM 0 HA ASN A 25 0.897 0.745 -9.176 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.863 1.397 -8.589 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.391 -0.027 -9.495 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.316 3.738 -11.215 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.792 3.451 -9.538 1.00 24.70 H new ATOM 401 N VAL A 26 1.654 0.192 -6.187 1.00 6.52 N ATOM 402 CA VAL A 26 1.536 -0.862 -5.166 1.00 5.53 C ATOM 403 C VAL A 26 0.035 -1.086 -5.021 1.00 4.42 C ATOM 404 O VAL A 26 -0.435 -2.190 -4.876 1.00 3.40 O ATOM 405 CB VAL A 26 2.030 -0.388 -3.819 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.786 -1.485 -2.728 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.590 -0.193 -4.014 1.00 8.12 C ATOM 0 H VAL A 26 1.645 1.146 -5.826 1.00 6.52 H new ATOM 0 HA VAL A 26 2.111 -1.741 -5.458 1.00 5.53 H new ATOM 0 HB VAL A 26 1.519 0.519 -3.495 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.148 -1.127 -1.764 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.719 -1.698 -2.659 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.321 -2.395 -3.001 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.033 0.152 -3.080 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.042 -1.142 -4.301 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.770 0.546 -4.795 1.00 8.12 H new ATOM 417 N LYS A 27 -0.739 -0.002 -5.028 1.00 2.64 N ATOM 418 CA LYS A 27 -2.193 -0.074 -4.943 1.00 4.14 C ATOM 419 C LYS A 27 -2.778 -0.840 -6.181 1.00 5.58 C ATOM 420 O LYS A 27 -3.673 -1.605 -6.038 1.00 4.11 O ATOM 421 CB LYS A 27 -2.943 1.292 -4.790 1.00 3.97 C ATOM 422 CG LYS A 27 -2.543 2.030 -3.496 1.00 7.45 C ATOM 423 CD LYS A 27 -3.291 3.400 -3.257 1.00 9.02 C ATOM 424 CE LYS A 27 -2.810 4.153 -1.971 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.539 5.408 -1.922 1.00 15.47 N ATOM 0 H LYS A 27 -0.375 0.949 -5.093 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.373 -0.612 -4.012 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.724 1.924 -5.650 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.019 1.117 -4.789 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.735 1.374 -2.646 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.469 2.217 -3.518 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.141 4.044 -4.124 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.362 3.213 -3.181 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.005 3.558 -1.079 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.735 4.331 -2.007 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.018 6.090 -1.334 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.641 5.788 -2.885 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.481 5.247 -1.512 1.00 15.47 H new ATOM 439 N ALA A 28 -2.239 -0.649 -7.398 1.00 6.61 N ATOM 440 CA ALA A 28 -2.515 -1.505 -8.598 1.00 7.74 C ATOM 441 C ALA A 28 -2.417 -2.988 -8.364 1.00 9.17 C ATOM 442 O ALA A 28 -3.234 -3.752 -8.854 1.00 11.45 O ATOM 443 CB ALA A 28 -1.504 -1.202 -9.772 1.00 7.68 C ATOM 0 H ALA A 28 -1.588 0.112 -7.593 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.545 -1.247 -8.844 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.734 -1.841 -10.625 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.592 -0.157 -10.068 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.486 -1.399 -9.436 1.00 7.68 H new ATOM 449 N LYS A 29 -1.329 -3.405 -7.640 1.00 8.96 N ATOM 450 CA LYS A 29 -1.037 -4.784 -7.165 1.00 7.90 C ATOM 451 C LYS A 29 -2.074 -5.302 -6.128 1.00 6.92 C ATOM 452 O LYS A 29 -2.403 -6.454 -6.115 1.00 6.87 O ATOM 453 CB LYS A 29 0.470 -4.842 -6.604 1.00 10.28 C ATOM 454 CG LYS A 29 1.466 -4.645 -7.797 1.00 14.94 C ATOM 455 CD LYS A 29 2.887 -4.684 -7.359 1.00 19.69 C ATOM 456 CE LYS A 29 3.958 -4.487 -8.415 1.00 22.63 C ATOM 457 NZ LYS A 29 4.125 -5.709 -9.238 1.00 24.98 N ATOM 0 H LYS A 29 -0.600 -2.748 -7.362 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.127 -5.463 -8.013 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.623 -4.066 -5.854 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.653 -5.799 -6.115 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.296 -5.423 -8.541 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.264 -3.690 -8.282 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.024 -3.917 -6.596 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.063 -5.646 -6.879 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.691 -3.646 -9.056 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.904 -4.235 -7.936 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.381 -5.441 -10.210 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.878 -6.301 -8.832 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.233 -6.244 -9.250 1.00 24.98 H new ATOM 471 N ILE A 30 -2.640 -4.436 -5.300 1.00 4.57 N ATOM 472 CA ILE A 30 -3.808 -4.719 -4.529 1.00 5.58 C ATOM 473 C ILE A 30 -5.106 -4.738 -5.272 1.00 7.26 C ATOM 474 O ILE A 30 -5.906 -5.588 -5.033 1.00 9.46 O ATOM 475 CB ILE A 30 -3.792 -3.706 -3.408 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.499 -3.792 -2.576 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.074 -3.988 -2.484 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.342 -2.704 -1.491 1.00 2.00 C ATOM 0 H ILE A 30 -2.277 -3.494 -5.153 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.761 -5.749 -4.174 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.826 -2.700 -3.825 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.459 -4.770 -2.096 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.646 -3.734 -3.252 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.094 -3.273 -1.662 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.981 -3.883 -3.079 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.018 -5.000 -2.083 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.401 -2.851 -0.961 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.344 -1.720 -1.960 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.170 -2.772 -0.785 1.00 2.00 H new ATOM 490 N GLN A 31 -5.297 -3.788 -6.217 1.00 7.06 N ATOM 491 CA GLN A 31 -6.459 -3.742 -7.075 1.00 8.67 C ATOM 492 C GLN A 31 -6.626 -5.007 -7.898 1.00 10.90 C ATOM 493 O GLN A 31 -7.730 -5.512 -8.043 1.00 9.63 O ATOM 494 CB GLN A 31 -6.302 -2.517 -7.992 1.00 9.12 C ATOM 495 CG GLN A 31 -7.375 -2.470 -9.109 1.00 10.76 C ATOM 496 CD GLN A 31 -7.087 -1.264 -10.089 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.454 -0.298 -9.712 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.552 -1.416 -11.314 1.00 14.76 N ATOM 0 H GLN A 31 -4.632 -3.035 -6.391 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.356 -3.665 -6.461 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.366 -1.608 -7.393 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.311 -2.531 -8.445 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.374 -3.408 -9.664 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.366 -2.362 -8.668 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -8.076 -2.256 -11.560 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.387 -0.694 -12.015 1.00 14.76 H new ATOM 507 N ASP A 32 -5.532 -5.651 -8.383 1.00 10.93 N ATOM 508 CA ASP A 32 -5.543 -6.994 -8.905 1.00 14.01 C ATOM 509 C ASP A 32 -5.901 -8.050 -7.917 1.00 14.04 C ATOM 510 O ASP A 32 -6.831 -8.830 -8.163 1.00 13.39 O ATOM 511 CB ASP A 32 -4.088 -7.215 -9.381 1.00 18.01 C ATOM 512 CG ASP A 32 -3.892 -8.510 -10.124 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.061 -8.602 -11.387 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.404 -9.475 -9.485 1.00 26.29 O ATOM 0 H ASP A 32 -4.609 -5.218 -8.411 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.306 -7.081 -9.679 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.795 -6.387 -10.026 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.424 -7.196 -8.517 1.00 18.01 H new ATOM 519 N LYS A 33 -5.269 -8.014 -6.743 1.00 14.22 N ATOM 520 CA LYS A 33 -5.624 -8.989 -5.676 1.00 14.00 C ATOM 521 C LYS A 33 -7.049 -8.819 -5.007 1.00 12.37 C ATOM 522 O LYS A 33 -7.801 -9.805 -4.992 1.00 12.17 O ATOM 523 CB LYS A 33 -4.549 -8.923 -4.586 1.00 18.62 C ATOM 524 CG LYS A 33 -3.191 -9.537 -5.082 1.00 24.00 C ATOM 525 CD LYS A 33 -2.289 -10.088 -3.945 1.00 27.61 C ATOM 526 CE LYS A 33 -0.927 -10.654 -4.404 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.994 -11.758 -5.399 1.00 30.06 N ATOM 0 H LYS A 33 -4.533 -7.351 -6.498 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.672 -9.956 -6.177 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.394 -7.886 -4.288 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.892 -9.461 -3.702 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.404 -10.343 -5.784 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.639 -8.774 -5.631 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.109 -9.289 -3.226 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.833 -10.873 -3.420 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.340 -9.840 -4.830 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.388 -11.011 -3.527 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.031 -12.066 -5.641 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.522 -12.558 -4.995 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.476 -11.423 -6.257 1.00 30.06 H new ATOM 541 N GLU A 34 -7.392 -7.612 -4.455 1.00 10.11 N ATOM 542 CA GLU A 34 -8.554 -7.434 -3.624 1.00 10.07 C ATOM 543 C GLU A 34 -9.611 -6.527 -4.345 1.00 9.32 C ATOM 544 O GLU A 34 -10.698 -6.376 -3.797 1.00 11.61 O ATOM 545 CB GLU A 34 -8.274 -6.697 -2.256 1.00 14.77 C ATOM 546 CG GLU A 34 -7.706 -7.652 -1.179 1.00 18.75 C ATOM 547 CD GLU A 34 -8.657 -8.716 -0.770 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.764 -8.335 -0.262 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.448 -9.956 -0.923 1.00 25.19 O ATOM 0 H GLU A 34 -6.850 -6.759 -4.594 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.897 -8.451 -3.436 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.570 -5.882 -2.423 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.199 -6.250 -1.891 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.796 -8.116 -1.560 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.424 -7.070 -0.301 1.00 18.75 H new ATOM 556 N GLY A 35 -9.357 -5.979 -5.526 1.00 7.22 N ATOM 557 CA GLY A 35 -10.478 -5.476 -6.325 1.00 6.29 C ATOM 558 C GLY A 35 -10.955 -4.122 -5.874 1.00 6.93 C ATOM 559 O GLY A 35 -11.928 -3.574 -6.400 1.00 7.41 O ATOM 0 H GLY A 35 -8.432 -5.872 -5.942 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.176 -5.420 -7.371 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.305 -6.184 -6.269 1.00 6.29 H new ATOM 563 N ILE A 36 -10.161 -3.595 -4.937 1.00 5.86 N ATOM 564 CA ILE A 36 -10.451 -2.336 -4.175 1.00 6.07 C ATOM 565 C ILE A 36 -9.752 -1.231 -4.969 1.00 6.36 C ATOM 566 O ILE A 36 -8.623 -1.453 -5.433 1.00 6.18 O ATOM 567 CB ILE A 36 -9.809 -2.338 -2.772 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.570 -3.397 -1.891 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.871 -0.951 -2.122 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.678 -3.924 -0.766 1.00 9.49 C ATOM 0 H ILE A 36 -9.277 -4.026 -4.668 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.528 -2.217 -4.056 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.754 -2.600 -2.856 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.466 -2.944 -1.466 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.898 -4.227 -2.517 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.410 -0.991 -1.135 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.336 -0.233 -2.744 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.911 -0.641 -2.024 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.231 -4.654 -0.175 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.795 -4.398 -1.194 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.371 -3.096 -0.127 1.00 9.49 H new ATOM 582 N PRO A 37 -10.417 -0.087 -5.269 1.00 8.65 N ATOM 583 CA PRO A 37 -9.860 1.004 -6.070 1.00 9.18 C ATOM 584 C PRO A 37 -8.714 1.703 -5.385 1.00 9.85 C ATOM 585 O PRO A 37 -8.936 1.967 -4.173 1.00 8.51 O ATOM 586 CB PRO A 37 -10.956 2.000 -6.374 1.00 11.42 C ATOM 587 CG PRO A 37 -12.178 1.093 -6.453 1.00 9.27 C ATOM 588 CD PRO A 37 -11.924 -0.052 -5.384 1.00 8.33 C ATOM 0 HA PRO A 37 -9.464 0.571 -6.989 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.054 2.753 -5.592 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.779 2.532 -7.309 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.091 1.644 -6.229 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.294 0.677 -7.454 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.396 0.177 -4.428 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.325 -1.010 -5.716 1.00 8.33 H new ATOM 596 N PRO A 38 -7.549 2.059 -5.984 1.00 8.71 N ATOM 597 CA PRO A 38 -6.491 2.862 -5.313 1.00 9.08 C ATOM 598 C PRO A 38 -7.024 4.067 -4.581 1.00 9.28 C ATOM 599 O PRO A 38 -6.525 4.349 -3.464 1.00 6.50 O ATOM 600 CB PRO A 38 -5.440 3.121 -6.436 1.00 10.31 C ATOM 601 CG PRO A 38 -5.589 1.853 -7.256 1.00 10.81 C ATOM 602 CD PRO A 38 -7.084 1.490 -7.266 1.00 12.00 C ATOM 0 HA PRO A 38 -6.016 2.344 -4.480 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.665 4.017 -7.015 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.432 3.242 -6.040 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.224 2.006 -8.271 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.000 1.044 -6.824 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.604 1.927 -8.118 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.242 0.413 -7.315 1.00 12.00 H new ATOM 610 N ASP A 39 -8.131 4.737 -5.044 1.00 11.20 N ATOM 611 CA ASP A 39 -8.789 5.857 -4.380 1.00 14.96 C ATOM 612 C ASP A 39 -9.330 5.471 -2.994 1.00 13.99 C ATOM 613 O ASP A 39 -9.293 6.278 -2.052 1.00 13.75 O ATOM 614 CB ASP A 39 -9.940 6.381 -5.191 1.00 24.16 C ATOM 615 CG ASP A 39 -9.450 7.122 -6.394 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.785 8.168 -6.124 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.663 6.772 -7.545 1.00 35.55 O ATOM 0 H ASP A 39 -8.585 4.483 -5.921 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.024 6.626 -4.273 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.577 5.553 -5.503 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.553 7.041 -4.577 1.00 24.16 H new ATOM 622 N GLN A 40 -9.801 4.237 -2.831 1.00 11.60 N ATOM 623 CA GLN A 40 -10.381 3.752 -1.571 1.00 10.76 C ATOM 624 C GLN A 40 -9.331 3.063 -0.615 1.00 8.01 C ATOM 625 O GLN A 40 -9.653 2.654 0.489 1.00 8.96 O ATOM 626 CB GLN A 40 -11.455 2.663 -1.842 1.00 11.14 C ATOM 627 CG GLN A 40 -12.696 3.230 -2.491 1.00 14.85 C ATOM 628 CD GLN A 40 -13.674 2.048 -2.815 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.889 1.083 -2.023 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.453 2.156 -3.933 1.00 18.16 N ATOM 0 H GLN A 40 -9.793 3.537 -3.572 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.789 4.646 -1.099 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.032 1.891 -2.485 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.727 2.182 -0.902 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.177 3.948 -1.826 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.435 3.766 -3.403 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.302 2.923 -4.588 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.186 1.469 -4.112 1.00 18.16 H new ATOM 639 N GLN A 41 -8.082 2.842 -1.086 1.00 6.52 N ATOM 640 CA GLN A 41 -7.009 2.310 -0.287 1.00 3.87 C ATOM 641 C GLN A 41 -6.295 3.393 0.438 1.00 4.79 C ATOM 642 O GLN A 41 -5.641 4.211 -0.216 1.00 6.34 O ATOM 643 CB GLN A 41 -5.995 1.445 -1.075 1.00 4.20 C ATOM 644 CG GLN A 41 -6.760 0.329 -1.917 1.00 3.20 C ATOM 645 CD GLN A 41 -5.804 -0.329 -2.883 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.621 -0.512 -2.647 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.210 -0.833 -4.054 1.00 7.13 N ATOM 0 H GLN A 41 -7.811 3.039 -2.049 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.492 1.642 0.426 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.409 2.077 -1.743 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.295 0.974 -0.385 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.185 -0.418 -1.246 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.591 0.777 -2.462 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.183 -0.732 -4.343 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.547 -1.318 -4.658 1.00 7.13 H new ATOM 656 N ARG A 42 -6.411 3.452 1.750 1.00 5.73 N ATOM 657 CA ARG A 42 -5.514 4.222 2.601 1.00 6.97 C ATOM 658 C ARG A 42 -4.361 3.365 3.053 1.00 7.15 C ATOM 659 O ARG A 42 -4.567 2.382 3.765 1.00 7.33 O ATOM 660 CB ARG A 42 -6.281 4.833 3.759 1.00 13.23 C ATOM 661 CG ARG A 42 -7.163 6.069 3.486 1.00 21.27 C ATOM 662 CD ARG A 42 -7.443 6.893 4.673 1.00 26.14 C ATOM 663 NE ARG A 42 -8.429 8.007 4.298 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.068 9.308 4.035 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.806 9.584 3.736 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.888 10.307 4.249 1.00 36.39 N ATOM 0 H ARG A 42 -7.141 2.960 2.266 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.091 5.049 2.031 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.919 4.057 4.180 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.559 5.104 4.529 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.674 6.690 2.735 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.109 5.737 3.058 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.860 6.275 5.468 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.518 7.324 5.056 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.419 7.767 4.240 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.114 8.835 3.703 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.527 10.545 3.539 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.821 10.130 4.620 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.593 11.262 4.045 1.00 36.39 H new ATOM 680 N LEU A 43 -3.118 3.626 2.577 1.00 4.65 N ATOM 681 CA LEU A 43 -1.975 2.784 2.916 1.00 3.51 C ATOM 682 C LEU A 43 -1.186 3.495 4.005 1.00 5.56 C ATOM 683 O LEU A 43 -0.795 4.631 3.926 1.00 4.19 O ATOM 684 CB LEU A 43 -1.126 2.397 1.698 1.00 3.74 C ATOM 685 CG LEU A 43 -1.869 1.388 0.706 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.875 0.933 -0.351 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.317 0.157 1.542 1.00 6.41 C ATOM 0 H LEU A 43 -2.896 4.410 1.963 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.326 1.823 3.292 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.855 3.300 1.151 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.197 1.941 2.041 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.726 1.863 0.228 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.365 0.243 -1.038 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.511 1.799 -0.904 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.036 0.431 0.131 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.829 -0.555 0.895 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.443 -0.319 1.985 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.994 0.481 2.333 1.00 6.41 H new ATOM 699 N ILE A 44 -1.007 2.714 5.099 1.00 4.58 N ATOM 700 CA ILE A 44 -0.482 3.161 6.419 1.00 5.55 C ATOM 701 C ILE A 44 0.782 2.372 6.768 1.00 5.46 C ATOM 702 O ILE A 44 0.728 1.156 6.915 1.00 6.04 O ATOM 703 CB ILE A 44 -1.409 3.030 7.609 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.787 3.640 7.372 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.759 3.832 8.770 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.783 5.117 6.803 1.00 13.90 C ATOM 0 H ILE A 44 -1.232 1.719 5.089 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.318 4.228 6.268 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.544 1.968 7.814 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.334 3.002 6.678 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.337 3.632 8.313 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.392 3.768 9.655 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.223 3.415 8.995 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.651 4.876 8.475 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.810 5.458 6.670 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.270 5.775 7.504 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.267 5.136 5.843 1.00 13.90 H new ATOM 718 N PHE A 45 1.894 3.049 7.054 1.00 6.75 N ATOM 719 CA PHE A 45 3.023 2.353 7.735 1.00 4.70 C ATOM 720 C PHE A 45 3.572 3.279 8.803 1.00 6.34 C ATOM 721 O PHE A 45 3.878 4.407 8.525 1.00 5.45 O ATOM 722 CB PHE A 45 4.077 2.062 6.661 1.00 5.51 C ATOM 723 CG PHE A 45 5.416 1.492 7.078 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.514 0.333 7.835 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.572 2.296 6.822 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.750 -0.152 8.191 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.863 1.839 7.231 1.00 6.64 C ATOM 728 CZ PHE A 45 7.924 0.664 7.991 1.00 6.84 C ATOM 0 H PHE A 45 2.051 4.035 6.843 1.00 6.75 H new ATOM 0 HA PHE A 45 2.716 1.422 8.211 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.634 1.370 5.945 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.268 2.993 6.128 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.620 -0.188 8.144 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.469 3.247 6.320 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.842 -1.139 8.619 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.759 2.380 6.964 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.862 0.364 8.434 1.00 6.84 H new ATOM 738 N ALA A 46 3.700 2.782 10.016 1.00 6.53 N ATOM 739 CA ALA A 46 4.235 3.495 11.127 1.00 7.15 C ATOM 740 C ALA A 46 3.579 4.740 11.596 1.00 9.00 C ATOM 741 O ALA A 46 4.188 5.763 11.960 1.00 11.15 O ATOM 742 CB ALA A 46 5.790 3.696 11.122 1.00 8.99 C ATOM 0 H ALA A 46 3.419 1.830 10.250 1.00 6.53 H new ATOM 0 HA ALA A 46 3.957 2.750 11.872 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.088 4.250 12.012 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.283 2.724 11.118 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.082 4.254 10.232 1.00 8.99 H new ATOM 748 N GLY A 47 2.255 4.665 11.565 1.00 9.35 N ATOM 749 CA GLY A 47 1.345 5.704 11.989 1.00 11.68 C ATOM 750 C GLY A 47 1.146 6.771 10.976 1.00 11.14 C ATOM 751 O GLY A 47 0.410 7.751 11.103 1.00 13.93 O ATOM 0 H GLY A 47 1.770 3.835 11.226 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.380 5.256 12.226 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.722 6.153 12.908 1.00 11.68 H new ATOM 755 N LYS A 48 1.681 6.578 9.763 1.00 10.47 N ATOM 756 CA LYS A 48 1.816 7.548 8.759 1.00 8.82 C ATOM 757 C LYS A 48 1.233 6.924 7.500 1.00 7.68 C ATOM 758 O LYS A 48 1.612 5.866 7.027 1.00 6.47 O ATOM 759 CB LYS A 48 3.286 7.988 8.611 1.00 9.74 C ATOM 760 CG LYS A 48 3.542 9.000 7.484 1.00 14.14 C ATOM 761 CD LYS A 48 5.032 9.520 7.508 1.00 16.32 C ATOM 762 CE LYS A 48 5.253 10.905 6.901 1.00 20.04 C ATOM 763 NZ LYS A 48 6.663 11.295 6.833 1.00 23.92 N ATOM 0 H LYS A 48 2.043 5.669 9.475 1.00 10.47 H new ATOM 0 HA LYS A 48 1.281 8.469 8.993 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.618 8.423 9.554 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.900 7.105 8.434 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.332 8.535 6.521 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.859 9.843 7.587 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.377 9.536 8.542 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.657 8.804 6.975 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.830 10.924 5.897 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.708 11.642 7.491 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.741 12.243 6.412 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.066 11.308 7.792 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.184 10.612 6.247 1.00 23.92 H new ATOM 777 N GLN A 49 0.397 7.715 6.797 1.00 8.89 N ATOM 778 CA GLN A 49 -0.082 7.298 5.537 1.00 7.18 C ATOM 779 C GLN A 49 1.041 7.476 4.416 1.00 8.23 C ATOM 780 O GLN A 49 1.877 8.353 4.493 1.00 9.70 O ATOM 781 CB GLN A 49 -1.317 8.222 5.083 1.00 11.67 C ATOM 782 CG GLN A 49 -2.100 7.596 3.881 1.00 15.82 C ATOM 783 CD GLN A 49 -3.425 8.304 3.592 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.487 7.808 3.946 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.414 9.460 2.926 1.00 20.67 N ATOM 0 H GLN A 49 0.064 8.628 7.106 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.375 6.253 5.634 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.995 8.362 5.925 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.949 9.209 4.803 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.474 7.632 2.989 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.295 6.544 4.091 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.528 9.871 2.632 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.292 9.933 2.711 1.00 20.67 H new ATOM 794 N LEU A 50 0.998 6.574 3.413 1.00 6.51 N ATOM 795 CA LEU A 50 1.870 6.573 2.326 1.00 7.41 C ATOM 796 C LEU A 50 1.154 7.354 1.232 1.00 8.27 C ATOM 797 O LEU A 50 0.097 6.894 0.794 1.00 8.34 O ATOM 798 CB LEU A 50 2.369 5.219 1.837 1.00 7.13 C ATOM 799 CG LEU A 50 2.866 4.379 3.028 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.246 3.017 2.479 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.083 4.990 3.815 1.00 9.11 C ATOM 0 H LEU A 50 0.313 5.819 3.381 1.00 6.51 H new ATOM 0 HA LEU A 50 2.807 7.031 2.642 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.567 4.692 1.319 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.176 5.358 1.117 1.00 7.13 H new ATOM 0 HG LEU A 50 2.058 4.337 3.759 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.606 2.385 3.291 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.373 2.554 2.018 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.032 3.132 1.733 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.358 4.325 4.634 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.932 5.105 3.141 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.804 5.964 4.217 1.00 9.11 H new ATOM 813 N GLU A 51 1.606 8.518 0.782 1.00 9.43 N ATOM 814 CA GLU A 51 1.020 9.246 -0.368 1.00 11.90 C ATOM 815 C GLU A 51 1.278 8.654 -1.778 1.00 11.49 C ATOM 816 O GLU A 51 2.379 8.140 -2.011 1.00 9.88 O ATOM 817 CB GLU A 51 1.402 10.697 -0.457 1.00 16.56 C ATOM 818 CG GLU A 51 0.916 11.535 0.732 1.00 26.06 C ATOM 819 CD GLU A 51 -0.579 11.607 0.914 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.229 12.089 -0.046 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.126 11.410 2.046 1.00 32.13 O ATOM 0 H GLU A 51 2.400 9.001 1.202 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.035 9.127 -0.119 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.487 10.775 -0.526 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.993 11.116 -1.377 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.355 11.128 1.643 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.299 12.549 0.619 1.00 26.06 H new ATOM 828 N ASP A 52 0.260 8.645 -2.677 1.00 12.71 N ATOM 829 CA ASP A 52 0.180 7.960 -3.953 1.00 16.56 C ATOM 830 C ASP A 52 1.378 8.198 -4.820 1.00 15.83 C ATOM 831 O ASP A 52 1.809 7.295 -5.511 1.00 17.21 O ATOM 832 CB ASP A 52 -1.196 8.335 -4.633 1.00 21.05 C ATOM 833 CG ASP A 52 -2.313 7.840 -3.757 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.581 8.571 -2.803 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.817 6.759 -4.015 1.00 25.82 O ATOM 0 H ASP A 52 -0.594 9.171 -2.491 1.00 12.71 H new ATOM 0 HA ASP A 52 0.200 6.882 -3.792 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.270 9.414 -4.767 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.264 7.885 -5.623 1.00 21.05 H new ATOM 840 N GLY A 53 1.758 9.508 -4.904 1.00 15.00 N ATOM 841 CA GLY A 53 2.750 9.957 -5.916 1.00 11.77 C ATOM 842 C GLY A 53 4.180 9.704 -5.530 1.00 11.10 C ATOM 843 O GLY A 53 5.117 9.820 -6.302 1.00 11.25 O ATOM 0 H GLY A 53 1.402 10.248 -4.300 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.545 9.451 -6.859 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.616 11.024 -6.091 1.00 11.77 H new ATOM 847 N ARG A 54 4.468 9.226 -4.326 1.00 8.53 N ATOM 848 CA ARG A 54 5.788 8.947 -3.848 1.00 9.05 C ATOM 849 C ARG A 54 6.347 7.484 -3.965 1.00 8.96 C ATOM 850 O ARG A 54 5.589 6.572 -4.291 1.00 11.60 O ATOM 851 CB ARG A 54 5.947 9.363 -2.375 1.00 7.97 C ATOM 852 CG ARG A 54 5.328 10.693 -2.007 1.00 9.62 C ATOM 853 CD ARG A 54 5.972 11.219 -0.682 1.00 12.20 C ATOM 854 NE ARG A 54 5.230 12.403 -0.190 1.00 18.23 N ATOM 855 CZ ARG A 54 5.383 12.957 1.032 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.173 12.425 1.970 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.743 14.068 1.417 1.00 23.38 N ATOM 0 H ARG A 54 3.746 9.018 -3.637 1.00 8.53 H new ATOM 0 HA ARG A 54 6.377 9.541 -4.547 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.505 8.589 -1.747 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.010 9.398 -2.138 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.483 11.413 -2.810 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.251 10.583 -1.882 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.961 10.433 0.074 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.016 11.480 -0.855 1.00 12.20 H new ATOM 0 HE ARG A 54 4.553 12.832 -0.821 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.689 11.567 1.775 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.259 12.877 2.880 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.104 14.537 0.775 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.894 14.446 2.352 1.00 23.38 H new ATOM 871 N THR A 55 7.635 7.235 -3.727 1.00 9.05 N ATOM 872 CA THR A 55 8.166 5.877 -3.748 1.00 9.03 C ATOM 873 C THR A 55 8.247 5.216 -2.375 1.00 8.15 C ATOM 874 O THR A 55 8.234 5.882 -1.367 1.00 5.91 O ATOM 875 CB THR A 55 9.551 5.616 -4.327 1.00 11.15 C ATOM 876 OG1 THR A 55 10.531 6.356 -3.682 1.00 11.95 O ATOM 877 CG2 THR A 55 9.533 6.114 -5.793 1.00 11.71 C ATOM 0 H THR A 55 8.326 7.956 -3.518 1.00 9.05 H new ATOM 0 HA THR A 55 7.413 5.466 -4.420 1.00 9.03 H new ATOM 0 HB THR A 55 9.773 4.554 -4.222 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.337 7.312 -3.779 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.510 5.945 -6.247 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.774 5.569 -6.353 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.303 7.179 -5.813 1.00 11.71 H new ATOM 885 N LEU A 56 8.256 3.855 -2.299 1.00 6.91 N ATOM 886 CA LEU A 56 8.501 3.083 -1.069 1.00 8.29 C ATOM 887 C LEU A 56 9.737 3.551 -0.341 1.00 8.05 C ATOM 888 O LEU A 56 9.834 3.685 0.876 1.00 10.17 O ATOM 889 CB LEU A 56 8.624 1.635 -1.400 1.00 6.60 C ATOM 890 CG LEU A 56 7.338 0.969 -1.747 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.513 -0.174 -2.724 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.615 0.426 -0.469 1.00 8.64 C ATOM 0 H LEU A 56 8.089 3.263 -3.112 1.00 6.91 H new ATOM 0 HA LEU A 56 7.651 3.241 -0.405 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.313 1.524 -2.237 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.069 1.118 -0.550 1.00 6.60 H new ATOM 0 HG LEU A 56 6.730 1.739 -2.222 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.542 -0.621 -2.939 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.953 0.201 -3.648 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.170 -0.927 -2.289 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.680 -0.054 -0.756 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.257 -0.299 0.031 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.405 1.253 0.209 1.00 8.64 H new ATOM 904 N SER A 57 10.834 3.746 -1.098 1.00 8.92 N ATOM 905 CA SER A 57 12.079 4.239 -0.628 1.00 9.00 C ATOM 906 C SER A 57 11.995 5.629 0.125 1.00 9.44 C ATOM 907 O SER A 57 12.663 5.826 1.141 1.00 10.91 O ATOM 908 CB SER A 57 13.141 4.393 -1.749 1.00 10.32 C ATOM 909 OG SER A 57 14.485 4.456 -1.273 1.00 13.59 O ATOM 0 H SER A 57 10.844 3.545 -2.098 1.00 8.92 H new ATOM 0 HA SER A 57 12.380 3.467 0.080 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.050 3.554 -2.439 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.925 5.298 -2.317 1.00 10.32 H new ATOM 0 HG SER A 57 15.097 4.551 -2.033 1.00 13.59 H new ATOM 915 N ASP A 58 11.066 6.533 -0.285 1.00 9.11 N ATOM 916 CA ASP A 58 10.893 7.908 0.257 1.00 7.91 C ATOM 917 C ASP A 58 10.246 7.843 1.578 1.00 9.12 C ATOM 918 O ASP A 58 10.007 8.846 2.213 1.00 8.61 O ATOM 919 CB ASP A 58 10.131 8.827 -0.649 1.00 8.41 C ATOM 920 CG ASP A 58 10.672 8.994 -2.071 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.838 9.384 -2.287 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.865 8.751 -3.052 1.00 11.70 O ATOM 0 H ASP A 58 10.397 6.319 -1.024 1.00 9.11 H new ATOM 0 HA ASP A 58 11.892 8.335 0.343 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.105 8.466 -0.716 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.093 9.811 -0.182 1.00 8.41 H new ATOM 927 N TYR A 59 9.874 6.664 2.051 1.00 7.97 N ATOM 928 CA TYR A 59 9.365 6.315 3.381 1.00 8.45 C ATOM 929 C TYR A 59 10.241 5.417 4.162 1.00 10.98 C ATOM 930 O TYR A 59 9.840 5.002 5.239 1.00 12.95 O ATOM 931 CB TYR A 59 7.942 5.702 3.285 1.00 7.94 C ATOM 932 CG TYR A 59 7.013 6.775 2.887 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.463 7.672 3.900 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.548 6.766 1.588 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.589 8.631 3.479 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.561 7.694 1.259 1.00 6.52 C ATOM 937 CZ TYR A 59 5.122 8.650 2.155 1.00 6.76 C ATOM 938 OH TYR A 59 4.052 9.549 1.836 1.00 7.63 O ATOM 0 H TYR A 59 9.924 5.837 1.455 1.00 7.97 H new ATOM 0 HA TYR A 59 9.336 7.259 3.925 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.924 4.892 2.556 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.645 5.276 4.243 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.737 7.580 4.941 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.932 6.070 0.857 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.252 9.386 4.174 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.125 7.665 0.271 1.00 6.52 H new ATOM 0 HH TYR A 59 4.410 10.453 1.712 1.00 7.63 H new ATOM 948 N ASN A 60 11.499 5.054 3.714 1.00 12.38 N ATOM 949 CA ASN A 60 12.301 3.972 4.306 1.00 13.94 C ATOM 950 C ASN A 60 11.632 2.627 4.440 1.00 14.16 C ATOM 951 O ASN A 60 11.613 2.010 5.496 1.00 14.26 O ATOM 952 CB ASN A 60 12.968 4.475 5.617 1.00 19.23 C ATOM 953 CG ASN A 60 13.704 5.768 5.335 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.174 6.853 5.572 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.918 5.668 4.736 1.00 24.09 N ATOM 0 H ASN A 60 11.962 5.518 2.932 1.00 12.38 H new ATOM 0 HA ASN A 60 13.075 3.741 3.574 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.212 4.633 6.387 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.660 3.724 5.999 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.424 6.511 4.465 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.324 4.750 4.557 1.00 24.09 H new ATOM 962 N ILE A 61 10.947 2.154 3.360 1.00 11.08 N ATOM 963 CA ILE A 61 10.279 0.850 3.447 1.00 11.78 C ATOM 964 C ILE A 61 11.182 -0.269 2.837 1.00 13.74 C ATOM 965 O ILE A 61 11.643 -0.183 1.708 1.00 14.60 O ATOM 966 CB ILE A 61 8.988 0.911 2.737 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.021 1.759 3.577 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.444 -0.494 2.497 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.772 2.272 2.791 1.00 11.42 C ATOM 0 H ILE A 61 10.852 2.638 2.467 1.00 11.08 H new ATOM 0 HA ILE A 61 10.101 0.610 4.495 1.00 11.78 H new ATOM 0 HB ILE A 61 9.112 1.372 1.757 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.683 1.168 4.429 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.562 2.616 3.978 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.491 -0.430 1.972 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.153 -1.061 1.894 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.299 -0.996 3.453 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.141 2.862 3.456 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.097 2.891 1.955 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.205 1.421 2.413 1.00 11.42 H new ATOM 981 N GLN A 62 11.548 -1.318 3.594 1.00 13.97 N ATOM 982 CA GLN A 62 12.596 -2.308 3.358 1.00 15.52 C ATOM 983 C GLN A 62 12.006 -3.702 3.106 1.00 13.94 C ATOM 984 O GLN A 62 10.880 -3.992 3.467 1.00 12.15 O ATOM 985 CB GLN A 62 13.587 -2.410 4.559 1.00 19.53 C ATOM 986 CG GLN A 62 14.155 -1.092 5.037 1.00 26.38 C ATOM 987 CD GLN A 62 14.943 -0.351 3.927 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.480 0.632 3.334 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.197 -0.805 3.673 1.00 32.71 N ATOM 0 H GLN A 62 11.065 -1.506 4.472 1.00 13.97 H new ATOM 0 HA GLN A 62 13.134 -1.967 2.474 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.075 -2.891 5.393 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.413 -3.062 4.274 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.343 -0.456 5.389 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.812 -1.270 5.888 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.557 -1.617 4.175 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.779 -0.334 2.981 1.00 32.71 H new ATOM 998 N LYS A 63 12.827 -4.601 2.525 1.00 11.73 N ATOM 999 CA LYS A 63 12.604 -5.966 2.239 1.00 11.97 C ATOM 1000 C LYS A 63 11.851 -6.740 3.332 1.00 10.41 C ATOM 1001 O LYS A 63 12.356 -6.771 4.511 1.00 9.59 O ATOM 1002 CB LYS A 63 13.950 -6.563 1.860 1.00 13.73 C ATOM 1003 CG LYS A 63 13.958 -8.033 1.372 1.00 16.98 C ATOM 1004 CD LYS A 63 15.315 -8.549 1.023 1.00 20.19 C ATOM 1005 CE LYS A 63 15.341 -9.953 0.345 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.748 -10.309 0.081 1.00 25.97 N ATOM 0 H LYS A 63 13.760 -4.318 2.225 1.00 11.73 H new ATOM 0 HA LYS A 63 11.909 -6.054 1.404 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.386 -5.944 1.076 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.608 -6.491 2.726 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.529 -8.665 2.149 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.312 -8.119 0.498 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.797 -7.833 0.357 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.914 -8.592 1.933 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.875 -10.697 0.992 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.772 -9.937 -0.584 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.790 -11.244 -0.372 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.173 -9.599 -0.549 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.274 -10.335 0.978 1.00 25.97 H new ATOM 1020 N GLU A 64 10.572 -7.179 3.002 1.00 10.04 N ATOM 1021 CA GLU A 64 9.722 -7.964 3.875 1.00 10.94 C ATOM 1022 C GLU A 64 9.026 -7.203 4.970 1.00 9.74 C ATOM 1023 O GLU A 64 8.551 -7.799 5.954 1.00 9.42 O ATOM 1024 CB GLU A 64 10.469 -9.163 4.453 1.00 18.31 C ATOM 1025 CG GLU A 64 10.879 -10.211 3.411 1.00 24.16 C ATOM 1026 CD GLU A 64 11.463 -11.459 3.999 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.675 -11.536 5.199 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.765 -12.408 3.207 1.00 32.61 O ATOM 0 H GLU A 64 10.138 -6.972 2.102 1.00 10.04 H new ATOM 0 HA GLU A 64 8.923 -8.306 3.217 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.363 -8.807 4.965 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.840 -9.641 5.204 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.006 -10.477 2.815 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.606 -9.767 2.731 1.00 24.16 H new ATOM 1035 N SER A 65 8.914 -5.912 4.782 1.00 6.85 N ATOM 1036 CA SER A 65 8.080 -5.052 5.630 1.00 6.90 C ATOM 1037 C SER A 65 6.603 -5.321 5.516 1.00 4.72 C ATOM 1038 O SER A 65 6.107 -5.672 4.432 1.00 3.91 O ATOM 1039 CB SER A 65 8.372 -3.519 5.439 1.00 7.28 C ATOM 1040 OG SER A 65 7.737 -2.577 6.318 1.00 10.56 O ATOM 0 H SER A 65 9.396 -5.411 4.036 1.00 6.85 H new ATOM 0 HA SER A 65 8.377 -5.327 6.642 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.449 -3.375 5.525 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.095 -3.255 4.418 1.00 7.28 H new ATOM 0 HG SER A 65 8.015 -1.668 6.079 1.00 10.56 H new ATOM 1046 N THR A 66 5.830 -5.194 6.616 1.00 4.48 N ATOM 1047 CA THR A 66 4.449 -5.250 6.633 1.00 3.80 C ATOM 1048 C THR A 66 3.873 -3.842 6.712 1.00 4.60 C ATOM 1049 O THR A 66 4.260 -3.013 7.566 1.00 5.33 O ATOM 1050 CB THR A 66 3.941 -6.001 7.803 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.442 -7.333 7.841 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.376 -6.108 7.891 1.00 3.40 C ATOM 0 H THR A 66 6.228 -5.043 7.543 1.00 4.48 H new ATOM 0 HA THR A 66 4.142 -5.755 5.717 1.00 3.80 H new ATOM 0 HB THR A 66 4.299 -5.410 8.646 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.085 -7.794 8.628 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.099 -6.675 8.780 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.946 -5.108 7.950 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.996 -6.615 7.004 1.00 3.40 H new ATOM 1060 N LEU A 67 3.008 -3.523 5.762 1.00 4.17 N ATOM 1061 CA LEU A 67 2.367 -2.263 5.498 1.00 3.85 C ATOM 1062 C LEU A 67 0.866 -2.550 5.750 1.00 3.80 C ATOM 1063 O LEU A 67 0.404 -3.692 5.857 1.00 5.54 O ATOM 1064 CB LEU A 67 2.414 -1.868 4.083 1.00 7.18 C ATOM 1065 CG LEU A 67 3.839 -1.649 3.491 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.761 -0.988 2.111 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.780 -0.895 4.393 1.00 11.66 C ATOM 0 H LEU A 67 2.711 -4.227 5.086 1.00 4.17 H new ATOM 0 HA LEU A 67 2.846 -1.490 6.099 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.909 -2.634 3.494 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.845 -0.946 3.963 1.00 7.18 H new ATOM 0 HG LEU A 67 4.268 -2.646 3.393 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.768 -0.845 1.718 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.194 -1.626 1.433 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.265 -0.021 2.198 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.747 -0.788 3.902 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.369 0.092 4.604 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.906 -1.443 5.327 1.00 11.66 H new ATOM 1079 N HIS A 68 0.058 -1.523 5.875 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.354 -1.722 6.308 1.00 4.17 C ATOM 1081 C HIS A 68 -2.331 -1.062 5.363 1.00 5.32 C ATOM 1082 O HIS A 68 -2.235 0.092 4.957 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.558 -1.120 7.637 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.691 -1.568 8.740 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.562 -1.085 8.977 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.865 -2.536 9.672 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.118 -1.841 9.961 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.296 -2.769 10.399 1.00 16.30 N ATOM 0 H HIS A 68 0.321 -0.554 5.694 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.532 -2.797 6.323 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.440 -0.041 7.536 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.592 -1.301 7.930 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.003 -0.298 8.501 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.794 -3.063 9.831 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.119 -1.696 10.339 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.425 -1.850 5.014 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.533 -1.406 4.176 1.00 3.97 C ATOM 1098 C LEU A 69 -5.770 -1.059 4.946 1.00 5.07 C ATOM 1099 O LEU A 69 -6.488 -1.898 5.489 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.857 -2.566 3.172 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.088 -2.440 2.220 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.999 -1.163 1.341 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.253 -3.680 1.348 1.00 9.96 C ATOM 0 H LEU A 69 -3.526 -2.815 5.330 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.226 -0.490 3.671 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.976 -2.713 2.548 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.989 -3.476 3.757 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.971 -2.354 2.853 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.872 -1.107 0.691 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.967 -0.282 1.982 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.095 -1.202 0.733 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.120 -3.556 0.699 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.360 -3.818 0.738 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.397 -4.554 1.983 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.042 0.256 4.947 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.153 0.846 5.690 1.00 6.26 C ATOM 1117 C VAL A 70 -8.135 1.339 4.668 1.00 9.22 C ATOM 1118 O VAL A 70 -7.770 1.927 3.638 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.583 1.955 6.490 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.648 2.823 7.172 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.747 1.383 7.646 1.00 8.54 C ATOM 0 H VAL A 70 -5.490 0.939 4.427 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.659 0.151 6.360 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.007 2.552 5.783 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.162 3.616 7.741 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.296 3.265 6.415 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.244 2.206 7.845 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.329 2.201 8.232 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.381 0.767 8.283 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.937 0.775 7.243 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.417 1.000 4.792 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.474 1.489 3.923 1.00 16.06 C ATOM 1133 C LEU A 71 -11.020 2.892 4.020 1.00 18.09 C ATOM 1134 O LEU A 71 -11.192 3.412 5.129 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.629 0.537 4.205 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.325 -0.931 3.782 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.573 -1.747 4.040 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.978 -0.987 2.315 1.00 19.57 C ATOM 0 H LEU A 71 -9.752 0.364 5.516 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.016 1.526 2.935 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.861 0.562 5.270 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.517 0.885 3.677 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.480 -1.322 4.349 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.395 -2.784 3.754 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.825 -1.701 5.099 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.398 -1.345 3.453 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.767 -2.018 2.030 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.817 -0.612 1.728 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.099 -0.371 2.125 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.238 3.528 2.875 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.834 4.799 2.568 1.00 25.83 C ATOM 1152 C ARG A 72 -12.951 4.378 1.610 1.00 27.74 C ATOM 1153 O ARG A 72 -12.883 3.295 0.989 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.714 5.700 1.980 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.193 6.979 1.277 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.163 7.874 0.720 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.792 8.936 -0.144 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.135 9.556 -1.109 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.969 9.099 -1.508 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.776 10.492 -1.830 1.00 35.02 N ATOM 0 H ARG A 72 -10.947 3.076 2.008 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.251 5.394 3.380 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.038 5.982 2.787 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.134 5.111 1.269 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.860 6.688 0.466 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.788 7.552 1.989 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.603 8.341 1.530 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.450 7.295 0.133 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.766 9.187 0.023 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.572 8.266 -1.073 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.462 9.577 -2.253 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.751 10.712 -1.628 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.287 10.982 -2.579 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.023 5.227 1.555 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.241 4.890 0.770 1.00 30.76 C ATOM 1176 C LEU A 73 -15.228 5.559 -0.661 1.00 32.18 C ATOM 1177 O LEU A 73 -14.479 6.489 -0.915 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.530 5.407 1.431 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.744 4.866 2.898 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.167 5.048 3.385 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.396 3.328 3.103 1.00 29.11 C ATOM 0 H LEU A 73 -14.064 6.127 2.034 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.229 3.802 0.713 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.506 6.496 1.454 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.384 5.120 0.818 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.043 5.471 3.473 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.257 4.659 4.399 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.421 6.108 3.380 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.848 4.508 2.727 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.575 3.050 4.142 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.026 2.722 2.452 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.348 3.156 2.856 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.103 5.031 -1.528 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.269 5.343 -2.967 1.00 35.33 C ATOM 1195 C ARG A 74 -16.676 6.800 -3.184 1.00 36.22 C ATOM 1196 O ARG A 74 -16.220 7.444 -4.146 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.332 4.417 -3.575 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.402 4.491 -5.090 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.140 3.410 -5.843 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.788 2.008 -5.350 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.112 1.098 -6.037 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.335 1.325 -7.061 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.024 -0.152 -5.492 1.00 41.93 N ATOM 0 H ARG A 74 -16.768 4.319 -1.225 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.309 5.185 -3.458 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.121 3.390 -3.278 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.307 4.674 -3.161 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.859 5.445 -5.352 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.379 4.514 -5.466 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.214 3.569 -5.740 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.906 3.487 -6.905 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.099 1.750 -4.413 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.205 2.278 -7.401 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.858 0.550 -7.521 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.468 -0.350 -4.595 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.515 -0.887 -5.982 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.648 7.327 -2.303 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.040 8.717 -2.434 1.00 36.07 C ATOM 1219 C GLY A 75 -17.228 9.828 -1.887 1.00 36.16 C ATOM 1220 O GLY A 75 -17.614 10.983 -1.954 1.00 36.26 O ATOM 0 H GLY A 75 -18.114 6.805 -1.561 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.154 8.910 -3.501 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.030 8.805 -1.987 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.045 9.597 -1.250 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.338 10.736 -0.781 1.00 36.19 C ATOM 1226 C GLY A 76 -13.863 10.493 -0.471 1.00 36.20 C ATOM 1227 O GLY A 76 -13.566 9.497 0.168 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.986 11.300 -0.928 1.00 0.00 O ATOM 0 H GLY A 76 -15.617 8.688 -1.077 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.412 11.525 -1.529 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.828 11.104 0.120 1.00 36.19 H new TER 1232 GLY A 76