USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.714 K(o=0.71,f=-5.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 112:sc= 0.285 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.23 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.16 (180deg=1.03) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.918) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0.959 (180deg=0.447) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.268) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.094) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.037 K(o=-0.037,f=-2!) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.104 USER MOD Single : A 60 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.17) USER MOD Single : A 65 SER OG : rot 140:sc= -0.266 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 -13.470 1.523 -3.738 1.00 9.67 N ATOM 2 CA MET A 1 -13.261 2.302 -2.497 1.00 10.38 C ATOM 3 C MET A 1 -11.966 3.024 -2.349 1.00 9.62 C ATOM 4 O MET A 1 -10.934 2.676 -2.919 1.00 9.62 O ATOM 5 CB MET A 1 -13.239 1.265 -1.361 1.00 13.77 C ATOM 6 CG MET A 1 -12.089 0.267 -1.217 1.00 16.29 C ATOM 7 SD MET A 1 -12.390 -0.844 0.190 1.00 17.17 S ATOM 8 CE MET A 1 -10.763 -1.606 -0.072 1.00 16.11 C ATOM 0 H1 MET A 1 -14.297 0.902 -3.623 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.633 2.173 -4.533 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.627 0.945 -3.931 1.00 9.67 H new ATOM 0 HA MET A 1 -14.046 3.059 -2.496 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.298 1.819 -0.424 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.156 0.682 -1.445 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.987 -0.315 -2.133 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.150 0.802 -1.072 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.604 -2.388 0.670 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.721 -2.040 -1.071 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.986 -0.848 0.027 1.00 16.11 H new ATOM 20 N GLN A 2 -11.861 4.146 -1.615 1.00 9.27 N ATOM 21 CA GLN A 2 -10.651 4.889 -1.444 1.00 9.07 C ATOM 22 C GLN A 2 -9.975 4.335 -0.237 1.00 8.72 C ATOM 23 O GLN A 2 -10.614 4.068 0.779 1.00 8.22 O ATOM 24 CB GLN A 2 -10.726 6.424 -1.408 1.00 14.46 C ATOM 25 CG GLN A 2 -11.288 6.977 -0.096 1.00 17.01 C ATOM 26 CD GLN A 2 -11.834 8.388 -0.269 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.988 9.200 -0.642 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.140 8.678 -0.025 1.00 19.49 N ATOM 0 H GLN A 2 -12.654 4.553 -1.119 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.083 4.751 -2.364 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.728 6.832 -1.567 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.347 6.769 -2.234 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -12.080 6.322 0.266 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.506 6.980 0.663 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.777 7.943 0.282 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.483 9.631 -0.149 1.00 19.49 H new ATOM 37 N ILE A 3 -8.660 4.055 -0.280 1.00 5.87 N ATOM 38 CA ILE A 3 -7.785 3.840 0.830 1.00 5.07 C ATOM 39 C ILE A 3 -6.774 4.929 0.723 1.00 4.01 C ATOM 40 O ILE A 3 -6.664 5.660 -0.261 1.00 4.61 O ATOM 41 CB ILE A 3 -7.158 2.478 0.832 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.327 2.311 -0.451 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.291 1.442 0.929 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.564 0.994 -0.588 1.00 10.83 C ATOM 0 H ILE A 3 -8.169 3.972 -1.170 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.326 3.870 1.776 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.485 2.340 1.678 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.993 2.413 -1.308 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.610 3.131 -0.505 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.867 0.438 0.933 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.853 1.602 1.849 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.958 1.551 0.074 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.015 0.988 -1.529 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.864 0.891 0.241 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.268 0.162 -0.574 1.00 10.83 H new ATOM 56 N PHE A 4 -6.070 5.073 1.860 1.00 4.55 N ATOM 57 CA PHE A 4 -5.116 6.118 2.064 1.00 4.68 C ATOM 58 C PHE A 4 -3.821 5.419 2.298 1.00 5.30 C ATOM 59 O PHE A 4 -3.646 4.567 3.168 1.00 5.58 O ATOM 60 CB PHE A 4 -5.340 6.961 3.331 1.00 4.83 C ATOM 61 CG PHE A 4 -6.708 7.548 3.396 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.147 8.410 2.419 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.523 7.411 4.495 1.00 6.69 C ATOM 64 CE1 PHE A 4 -8.359 9.060 2.434 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.647 8.182 4.676 1.00 9.10 C ATOM 66 CZ PHE A 4 -9.060 8.946 3.611 1.00 8.90 C ATOM 0 H PHE A 4 -6.167 4.446 2.659 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.174 6.786 1.205 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.174 6.339 4.211 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.603 7.763 3.364 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.493 8.590 1.579 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.272 6.672 5.242 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.731 9.617 1.587 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.182 8.187 5.614 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.989 9.488 3.704 1.00 8.90 H new ATOM 76 N VAL A 5 -2.836 5.855 1.492 1.00 4.44 N ATOM 77 CA VAL A 5 -1.545 5.284 1.723 1.00 3.87 C ATOM 78 C VAL A 5 -0.724 6.426 2.214 1.00 4.93 C ATOM 79 O VAL A 5 -0.868 7.543 1.718 1.00 6.84 O ATOM 80 CB VAL A 5 -0.942 4.582 0.543 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.334 3.875 1.029 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.965 3.543 0.055 1.00 9.13 C ATOM 0 H VAL A 5 -2.915 6.542 0.743 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.604 4.470 2.445 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.697 5.270 -0.266 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.801 3.352 0.194 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.029 4.613 1.429 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.078 3.158 1.809 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.560 3.010 -0.806 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.173 2.833 0.856 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.888 4.048 -0.232 1.00 9.13 H new ATOM 92 N LYS A 6 0.159 6.307 3.221 1.00 6.04 N ATOM 93 CA LYS A 6 0.972 7.388 3.685 1.00 6.12 C ATOM 94 C LYS A 6 2.441 7.138 3.709 1.00 6.57 C ATOM 95 O LYS A 6 2.822 6.108 4.263 1.00 5.76 O ATOM 96 CB LYS A 6 0.661 7.674 5.164 1.00 7.45 C ATOM 97 CG LYS A 6 -0.808 7.964 5.478 1.00 11.12 C ATOM 98 CD LYS A 6 -1.228 9.412 5.219 1.00 14.54 C ATOM 99 CE LYS A 6 -2.517 9.848 5.919 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.711 11.295 6.162 1.00 20.55 N ATOM 0 H LYS A 6 0.312 5.435 3.727 1.00 6.04 H new ATOM 0 HA LYS A 6 0.740 8.185 2.979 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.980 6.817 5.758 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.260 8.526 5.486 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.434 7.303 4.879 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.999 7.723 6.524 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.420 10.071 5.536 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.351 9.552 4.145 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.359 9.492 5.325 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.566 9.337 6.880 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.621 11.448 6.641 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.940 11.653 6.762 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.708 11.803 5.254 1.00 20.55 H new ATOM 114 N THR A 7 3.246 8.090 3.203 1.00 7.41 N ATOM 115 CA THR A 7 4.675 8.032 3.240 1.00 7.48 C ATOM 116 C THR A 7 5.196 8.396 4.587 1.00 8.75 C ATOM 117 O THR A 7 4.549 8.819 5.544 1.00 8.58 O ATOM 118 CB THR A 7 5.322 8.871 2.179 1.00 9.61 C ATOM 119 OG1 THR A 7 5.121 10.272 2.302 1.00 11.78 O ATOM 120 CG2 THR A 7 4.938 8.249 0.826 1.00 9.17 C ATOM 0 H THR A 7 2.888 8.932 2.751 1.00 7.41 H new ATOM 0 HA THR A 7 4.942 6.996 3.030 1.00 7.48 H new ATOM 0 HB THR A 7 6.406 8.842 2.292 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.972 10.707 2.518 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.387 8.828 0.019 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.300 7.222 0.782 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.853 8.256 0.717 1.00 9.17 H new ATOM 128 N LEU A 8 6.519 8.181 4.703 1.00 9.84 N ATOM 129 CA LEU A 8 7.218 8.316 5.943 1.00 14.15 C ATOM 130 C LEU A 8 7.497 9.748 6.244 1.00 17.37 C ATOM 131 O LEU A 8 7.645 10.120 7.407 1.00 17.01 O ATOM 132 CB LEU A 8 8.521 7.500 5.978 1.00 16.63 C ATOM 133 CG LEU A 8 9.187 7.292 7.349 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.344 6.684 8.482 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.409 6.395 7.090 1.00 19.31 C ATOM 0 H LEU A 8 7.114 7.908 3.921 1.00 9.84 H new ATOM 0 HA LEU A 8 6.563 7.912 6.715 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.316 6.519 5.550 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.243 7.989 5.323 1.00 16.63 H new ATOM 0 HG LEU A 8 9.408 8.289 7.730 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.952 6.600 9.383 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.486 7.326 8.681 1.00 18.59 H new ATOM 0 HD13 LEU A 8 7.996 5.694 8.186 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.929 6.208 8.030 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.081 5.448 6.662 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.085 6.892 6.394 1.00 19.31 H new ATOM 147 N THR A 9 7.549 10.617 5.219 1.00 18.33 N ATOM 148 CA THR A 9 7.605 12.032 5.418 1.00 19.24 C ATOM 149 C THR A 9 6.239 12.510 5.772 1.00 19.48 C ATOM 150 O THR A 9 5.978 13.053 6.845 1.00 23.14 O ATOM 151 CB THR A 9 8.213 12.663 4.201 1.00 18.97 C ATOM 152 OG1 THR A 9 7.566 12.160 3.041 1.00 20.24 O ATOM 153 CG2 THR A 9 9.723 12.371 4.170 1.00 19.70 C ATOM 0 H THR A 9 7.552 10.334 4.239 1.00 18.33 H new ATOM 0 HA THR A 9 8.247 12.321 6.250 1.00 19.24 H new ATOM 0 HB THR A 9 8.078 13.744 4.229 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.959 12.571 2.243 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.164 12.830 3.285 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.192 12.782 5.064 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.885 11.294 4.139 1.00 19.70 H new ATOM 161 N GLY A 10 5.299 12.473 4.811 1.00 19.43 N ATOM 162 CA GLY A 10 3.922 12.696 5.127 1.00 18.74 C ATOM 163 C GLY A 10 3.179 13.306 3.988 1.00 17.62 C ATOM 164 O GLY A 10 2.583 14.367 4.164 1.00 19.74 O ATOM 0 H GLY A 10 5.489 12.291 3.825 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.455 11.750 5.399 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.851 13.349 5.997 1.00 18.74 H new ATOM 168 N LYS A 11 3.011 12.585 2.865 1.00 13.56 N ATOM 169 CA LYS A 11 1.966 12.771 1.906 1.00 11.91 C ATOM 170 C LYS A 11 0.836 11.809 2.045 1.00 10.18 C ATOM 171 O LYS A 11 1.040 10.596 2.045 1.00 9.10 O ATOM 172 CB LYS A 11 2.482 12.609 0.467 1.00 13.43 C ATOM 173 CG LYS A 11 1.413 13.014 -0.550 1.00 16.69 C ATOM 174 CD LYS A 11 1.904 13.074 -1.998 1.00 17.92 C ATOM 175 CE LYS A 11 0.831 13.380 -3.045 1.00 20.81 C ATOM 176 NZ LYS A 11 1.407 13.369 -4.408 1.00 21.93 N ATOM 0 H LYS A 11 3.644 11.826 2.612 1.00 13.56 H new ATOM 0 HA LYS A 11 1.612 13.783 2.104 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.373 13.221 0.326 1.00 13.43 H new ATOM 0 HB3 LYS A 11 2.776 11.573 0.297 1.00 13.43 H new ATOM 0 HG2 LYS A 11 0.586 12.307 -0.489 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.018 13.991 -0.273 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.682 13.834 -2.068 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.367 12.119 -2.246 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.031 12.643 -2.978 1.00 20.81 H new ATOM 0 HE3 LYS A 11 0.386 14.354 -2.842 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 0.645 13.478 -5.108 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.082 14.154 -4.506 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 1.899 12.467 -4.570 1.00 21.93 H new ATOM 190 N THR A 12 -0.420 12.287 1.993 1.00 9.63 N ATOM 191 CA THR A 12 -1.591 11.490 1.796 1.00 9.85 C ATOM 192 C THR A 12 -1.820 11.129 0.368 1.00 11.66 C ATOM 193 O THR A 12 -1.865 12.037 -0.460 1.00 12.33 O ATOM 194 CB THR A 12 -2.856 12.108 2.313 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.617 12.562 3.637 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.892 10.977 2.420 1.00 9.63 C ATOM 0 H THR A 12 -0.629 13.280 2.094 1.00 9.63 H new ATOM 0 HA THR A 12 -1.372 10.596 2.380 1.00 9.85 H new ATOM 0 HB THR A 12 -3.188 12.921 1.667 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.432 12.972 3.994 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.833 11.380 2.794 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.051 10.535 1.436 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.527 10.213 3.106 1.00 9.63 H new ATOM 204 N ILE A 13 -1.842 9.820 0.061 1.00 10.42 N ATOM 205 CA ILE A 13 -1.882 9.209 -1.231 1.00 11.84 C ATOM 206 C ILE A 13 -3.176 8.478 -1.342 1.00 10.55 C ATOM 207 O ILE A 13 -3.349 7.356 -0.871 1.00 11.92 O ATOM 208 CB ILE A 13 -0.686 8.359 -1.541 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.666 9.083 -1.427 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.843 7.599 -2.869 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.890 8.180 -1.282 1.00 16.46 C ATOM 0 H ILE A 13 -1.830 9.117 0.800 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.829 9.983 -1.996 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.658 7.616 -0.744 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.800 9.706 -2.311 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.628 9.753 -0.568 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.047 6.997 -3.051 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.716 6.948 -2.815 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.972 8.312 -3.683 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.788 8.793 -1.210 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.791 7.574 -0.381 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.965 7.527 -2.152 1.00 16.46 H new ATOM 223 N THR A 14 -4.175 9.145 -1.948 1.00 9.39 N ATOM 224 CA THR A 14 -5.543 8.734 -1.869 1.00 9.63 C ATOM 225 C THR A 14 -5.815 7.802 -2.999 1.00 11.20 C ATOM 226 O THR A 14 -6.037 8.207 -4.139 1.00 11.63 O ATOM 227 CB THR A 14 -6.542 9.850 -1.796 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.163 10.660 -0.693 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.910 9.247 -1.438 1.00 11.66 C ATOM 0 H THR A 14 -4.029 9.987 -2.504 1.00 9.39 H new ATOM 0 HA THR A 14 -5.677 8.227 -0.913 1.00 9.63 H new ATOM 0 HB THR A 14 -6.584 10.403 -2.734 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.790 11.408 -0.606 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.654 10.042 -1.379 1.00 11.66 H new ATOM 0 HG22 THR A 14 -8.204 8.531 -2.205 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.844 8.740 -0.475 1.00 11.66 H new ATOM 237 N LEU A 15 -5.811 6.472 -2.800 1.00 8.29 N ATOM 238 CA LEU A 15 -5.875 5.555 -3.895 1.00 9.03 C ATOM 239 C LEU A 15 -7.236 4.957 -4.001 1.00 8.59 C ATOM 240 O LEU A 15 -7.896 4.916 -2.964 1.00 7.79 O ATOM 241 CB LEU A 15 -5.050 4.275 -3.677 1.00 11.08 C ATOM 242 CG LEU A 15 -3.547 4.593 -3.608 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.844 3.226 -3.558 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.075 5.312 -4.883 1.00 15.88 C ATOM 0 H LEU A 15 -5.763 6.032 -1.881 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.539 6.154 -4.741 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.365 3.788 -2.754 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.240 3.573 -4.489 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.330 5.232 -2.752 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.765 3.373 -3.508 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.177 2.678 -2.677 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.091 2.657 -4.454 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.009 5.525 -4.807 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.257 4.675 -5.749 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.624 6.246 -4.998 1.00 15.88 H new ATOM 256 N GLU A 16 -7.754 4.586 -5.186 1.00 11.04 N ATOM 257 CA GLU A 16 -8.994 3.886 -5.308 1.00 11.50 C ATOM 258 C GLU A 16 -8.838 2.457 -5.700 1.00 10.13 C ATOM 259 O GLU A 16 -8.209 2.151 -6.712 1.00 9.83 O ATOM 260 CB GLU A 16 -9.944 4.577 -6.302 1.00 17.22 C ATOM 261 CG GLU A 16 -10.340 5.973 -5.818 1.00 23.33 C ATOM 262 CD GLU A 16 -11.117 6.943 -6.698 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.030 6.485 -7.436 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.778 8.152 -6.599 1.00 28.90 O ATOM 0 H GLU A 16 -7.300 4.777 -6.079 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.425 3.911 -4.307 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.462 4.652 -7.277 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.839 3.969 -6.435 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.925 5.836 -4.909 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.418 6.479 -5.531 1.00 23.33 H new ATOM 271 N VAL A 17 -9.355 1.489 -4.921 1.00 8.99 N ATOM 272 CA VAL A 17 -9.018 0.102 -5.012 1.00 8.85 C ATOM 273 C VAL A 17 -10.292 -0.668 -4.944 1.00 8.04 C ATOM 274 O VAL A 17 -11.308 -0.167 -4.463 1.00 8.99 O ATOM 275 CB VAL A 17 -8.068 -0.430 -3.980 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.695 0.189 -4.294 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.580 -0.060 -2.578 1.00 10.54 C ATOM 0 H VAL A 17 -10.042 1.684 -4.192 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.479 -0.014 -5.952 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.988 -1.517 -4.001 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.962 -0.166 -3.570 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.385 -0.103 -5.297 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.764 1.275 -4.238 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.892 -0.445 -1.826 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.645 1.024 -2.489 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.567 -0.496 -2.424 1.00 10.54 H new ATOM 287 N GLU A 18 -10.340 -1.950 -5.348 1.00 7.29 N ATOM 288 CA GLU A 18 -11.430 -2.817 -5.027 1.00 7.08 C ATOM 289 C GLU A 18 -11.009 -3.704 -3.906 1.00 6.45 C ATOM 290 O GLU A 18 -9.812 -3.821 -3.646 1.00 5.28 O ATOM 291 CB GLU A 18 -11.719 -3.809 -6.167 1.00 10.28 C ATOM 292 CG GLU A 18 -12.285 -3.190 -7.447 1.00 12.65 C ATOM 293 CD GLU A 18 -12.300 -4.079 -8.682 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.453 -5.327 -8.591 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.000 -3.553 -9.787 1.00 14.33 O ATOM 0 H GLU A 18 -9.610 -2.392 -5.907 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.290 -2.182 -4.813 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.795 -4.332 -6.414 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.422 -4.559 -5.804 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.307 -2.867 -7.247 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.707 -2.295 -7.678 1.00 12.65 H new ATOM 302 N PRO A 19 -11.772 -4.439 -3.153 1.00 7.24 N ATOM 303 CA PRO A 19 -11.321 -5.372 -2.161 1.00 7.07 C ATOM 304 C PRO A 19 -10.548 -6.503 -2.748 1.00 6.65 C ATOM 305 O PRO A 19 -9.652 -7.096 -2.151 1.00 6.37 O ATOM 306 CB PRO A 19 -12.578 -5.881 -1.460 1.00 7.61 C ATOM 307 CG PRO A 19 -13.525 -4.678 -1.595 1.00 8.16 C ATOM 308 CD PRO A 19 -13.179 -4.112 -2.981 1.00 7.49 C ATOM 0 HA PRO A 19 -10.636 -4.883 -1.468 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.980 -6.773 -1.940 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.389 -6.137 -0.418 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.571 -4.980 -1.533 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.358 -3.944 -0.807 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.792 -4.564 -3.761 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.347 -3.036 -3.026 1.00 7.49 H new ATOM 316 N SER A 20 -10.789 -6.777 -4.043 1.00 6.80 N ATOM 317 CA SER A 20 -10.218 -7.895 -4.727 1.00 6.28 C ATOM 318 C SER A 20 -8.891 -7.520 -5.293 1.00 8.45 C ATOM 319 O SER A 20 -8.289 -8.341 -5.983 1.00 7.26 O ATOM 320 CB SER A 20 -11.002 -8.471 -5.918 1.00 8.57 C ATOM 321 OG SER A 20 -12.336 -8.647 -5.463 1.00 11.13 O ATOM 0 H SER A 20 -11.397 -6.206 -4.630 1.00 6.80 H new ATOM 0 HA SER A 20 -10.196 -8.656 -3.947 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.967 -7.794 -6.771 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.574 -9.418 -6.245 1.00 8.57 H new ATOM 0 HG SER A 20 -12.884 -9.013 -6.189 1.00 11.13 H new ATOM 327 N ASP A 21 -8.393 -6.294 -5.056 1.00 7.50 N ATOM 328 CA ASP A 21 -7.142 -5.869 -5.604 1.00 7.70 C ATOM 329 C ASP A 21 -6.044 -6.237 -4.667 1.00 7.08 C ATOM 330 O ASP A 21 -6.235 -6.406 -3.464 1.00 8.11 O ATOM 331 CB ASP A 21 -7.164 -4.360 -5.903 1.00 11.00 C ATOM 332 CG ASP A 21 -8.060 -4.055 -7.095 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.685 -4.952 -7.722 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.226 -2.825 -7.312 1.00 18.03 O ATOM 0 H ASP A 21 -8.860 -5.593 -4.481 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.966 -6.376 -6.553 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.520 -3.817 -5.027 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.152 -4.011 -6.105 1.00 11.00 H new ATOM 339 N THR A 22 -4.890 -6.524 -5.296 1.00 5.37 N ATOM 340 CA THR A 22 -3.792 -6.979 -4.501 1.00 6.01 C ATOM 341 C THR A 22 -2.953 -5.823 -4.080 1.00 8.01 C ATOM 342 O THR A 22 -3.048 -4.745 -4.665 1.00 8.11 O ATOM 343 CB THR A 22 -2.925 -7.986 -5.196 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.541 -7.536 -6.487 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.750 -9.277 -5.333 1.00 9.65 C ATOM 0 H THR A 22 -4.720 -6.448 -6.299 1.00 5.37 H new ATOM 0 HA THR A 22 -4.231 -7.476 -3.636 1.00 6.01 H new ATOM 0 HB THR A 22 -2.014 -8.147 -4.619 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.976 -8.213 -6.915 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.153 -10.038 -5.836 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.034 -9.634 -4.343 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.648 -9.075 -5.918 1.00 9.65 H new ATOM 353 N ILE A 23 -2.009 -6.057 -3.151 1.00 8.32 N ATOM 354 CA ILE A 23 -0.853 -5.269 -2.853 1.00 9.92 C ATOM 355 C ILE A 23 -0.075 -4.839 -4.048 1.00 10.01 C ATOM 356 O ILE A 23 0.209 -3.651 -4.199 1.00 8.71 O ATOM 357 CB ILE A 23 0.024 -5.959 -1.851 1.00 10.78 C ATOM 358 CG1 ILE A 23 -0.744 -6.657 -0.716 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.130 -5.031 -1.321 1.00 10.90 C ATOM 360 CD1 ILE A 23 -1.842 -5.866 -0.007 1.00 12.30 C ATOM 0 H ILE A 23 -2.063 -6.880 -2.551 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.235 -4.347 -2.415 1.00 9.92 H new ATOM 0 HB ILE A 23 0.508 -6.767 -2.400 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.194 -7.563 -1.123 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.019 -6.971 0.035 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.742 -5.570 -0.598 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.755 -4.700 -2.150 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.678 -4.164 -0.839 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.294 -6.485 0.768 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.412 -4.973 0.447 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.604 -5.574 -0.729 1.00 12.30 H new ATOM 372 N GLU A 24 0.253 -5.781 -4.950 1.00 9.54 N ATOM 373 CA GLU A 24 0.726 -5.489 -6.267 1.00 11.81 C ATOM 374 C GLU A 24 0.035 -4.396 -7.008 1.00 11.14 C ATOM 375 O GLU A 24 0.761 -3.566 -7.553 1.00 10.62 O ATOM 376 CB GLU A 24 0.905 -6.851 -6.958 1.00 19.24 C ATOM 377 CG GLU A 24 1.867 -6.809 -8.147 1.00 27.76 C ATOM 378 CD GLU A 24 2.221 -8.155 -8.765 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.385 -8.750 -9.495 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.391 -8.594 -8.607 1.00 36.51 O ATOM 0 H GLU A 24 0.187 -6.780 -4.756 1.00 9.54 H new ATOM 0 HA GLU A 24 1.690 -4.982 -6.231 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.272 -7.574 -6.229 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.067 -7.207 -7.299 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.429 -6.179 -8.922 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.789 -6.325 -7.826 1.00 27.76 H new ATOM 387 N ASN A 25 -1.305 -4.283 -7.001 1.00 9.43 N ATOM 388 CA ASN A 25 -1.929 -3.139 -7.591 1.00 10.96 C ATOM 389 C ASN A 25 -1.683 -1.889 -6.818 1.00 9.68 C ATOM 390 O ASN A 25 -1.714 -0.782 -7.353 1.00 9.33 O ATOM 391 CB ASN A 25 -3.456 -3.317 -7.641 1.00 16.78 C ATOM 392 CG ASN A 25 -3.773 -4.609 -8.380 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.452 -5.535 -7.939 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.357 -4.686 -9.673 1.00 24.70 N ATOM 0 H ASN A 25 -1.945 -4.967 -6.597 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.495 -3.054 -8.587 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.866 -3.349 -6.632 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.919 -2.469 -8.146 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.610 -5.493 -10.243 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.792 -3.936 -10.073 1.00 24.70 H new ATOM 401 N VAL A 26 -1.508 -1.908 -5.485 1.00 6.52 N ATOM 402 CA VAL A 26 -1.186 -0.780 -4.667 1.00 5.53 C ATOM 403 C VAL A 26 0.092 -0.113 -5.047 1.00 4.42 C ATOM 404 O VAL A 26 0.264 1.061 -5.371 1.00 3.40 O ATOM 405 CB VAL A 26 -1.309 -1.046 -3.196 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.170 0.247 -2.375 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.667 -1.716 -2.927 1.00 8.12 C ATOM 0 H VAL A 26 -1.597 -2.768 -4.944 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.963 -0.047 -4.884 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.501 -1.709 -2.887 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.264 0.016 -1.314 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.194 0.695 -2.564 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.953 0.948 -2.665 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.770 -1.915 -1.860 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.470 -1.054 -3.251 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.725 -2.654 -3.478 1.00 8.12 H new ATOM 417 N LYS A 27 1.160 -0.931 -5.049 1.00 2.64 N ATOM 418 CA LYS A 27 2.497 -0.709 -5.503 1.00 4.14 C ATOM 419 C LYS A 27 2.539 -0.125 -6.873 1.00 5.58 C ATOM 420 O LYS A 27 3.292 0.797 -7.182 1.00 4.11 O ATOM 421 CB LYS A 27 3.374 -1.965 -5.366 1.00 3.97 C ATOM 422 CG LYS A 27 3.348 -2.654 -4.000 1.00 7.45 C ATOM 423 CD LYS A 27 4.441 -3.704 -3.786 1.00 9.02 C ATOM 424 CE LYS A 27 4.349 -4.781 -4.869 1.00 12.90 C ATOM 425 NZ LYS A 27 5.494 -5.709 -4.733 1.00 15.47 N ATOM 0 H LYS A 27 1.066 -1.877 -4.680 1.00 2.64 H new ATOM 0 HA LYS A 27 2.932 0.040 -4.841 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.062 -2.686 -6.121 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.404 -1.691 -5.594 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.438 -1.894 -3.224 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.376 -3.130 -3.868 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.422 -3.231 -3.814 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.334 -4.157 -2.800 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.410 -5.327 -4.776 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.354 -4.321 -5.857 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.646 -6.207 -5.633 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.349 -5.171 -4.486 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.292 -6.402 -3.984 1.00 15.47 H new ATOM 439 N ALA A 28 1.766 -0.643 -7.844 1.00 6.61 N ATOM 440 CA ALA A 28 1.756 -0.178 -9.196 1.00 7.74 C ATOM 441 C ALA A 28 1.155 1.172 -9.389 1.00 9.17 C ATOM 442 O ALA A 28 1.591 2.015 -10.171 1.00 11.45 O ATOM 443 CB ALA A 28 1.043 -1.175 -10.126 1.00 7.68 C ATOM 0 H ALA A 28 1.122 -1.417 -7.680 1.00 6.61 H new ATOM 0 HA ALA A 28 2.811 -0.095 -9.456 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.053 -0.792 -11.146 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.558 -2.135 -10.094 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.012 -1.306 -9.797 1.00 7.68 H new ATOM 449 N LYS A 29 0.095 1.428 -8.602 1.00 8.96 N ATOM 450 CA LYS A 29 -0.456 2.748 -8.619 1.00 7.90 C ATOM 451 C LYS A 29 0.414 3.801 -8.023 1.00 6.92 C ATOM 452 O LYS A 29 0.413 4.968 -8.412 1.00 6.87 O ATOM 453 CB LYS A 29 -1.740 2.823 -7.776 1.00 10.28 C ATOM 454 CG LYS A 29 -2.980 2.340 -8.531 1.00 14.94 C ATOM 455 CD LYS A 29 -4.267 2.198 -7.716 1.00 19.69 C ATOM 456 CE LYS A 29 -5.315 1.357 -8.448 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.662 2.093 -9.684 1.00 24.98 N ATOM 0 H LYS A 29 -0.363 0.759 -7.983 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.605 2.934 -9.683 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.613 2.222 -6.876 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.896 3.852 -7.453 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.171 3.033 -9.351 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.751 1.372 -8.978 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.039 1.738 -6.754 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.676 3.187 -7.507 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.922 0.368 -8.684 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.197 1.209 -7.825 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.520 1.681 -10.104 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.834 3.093 -9.456 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.877 2.023 -10.362 1.00 24.98 H new ATOM 471 N ILE A 30 1.222 3.535 -6.981 1.00 4.57 N ATOM 472 CA ILE A 30 2.154 4.451 -6.403 1.00 5.58 C ATOM 473 C ILE A 30 3.302 4.700 -7.319 1.00 7.26 C ATOM 474 O ILE A 30 3.725 5.829 -7.565 1.00 9.46 O ATOM 475 CB ILE A 30 2.615 3.881 -5.094 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.454 4.164 -4.126 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.985 4.419 -4.646 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.600 3.586 -2.720 1.00 2.00 C ATOM 0 H ILE A 30 1.224 2.627 -6.516 1.00 4.57 H new ATOM 0 HA ILE A 30 1.673 5.415 -6.237 1.00 5.58 H new ATOM 0 HB ILE A 30 2.816 2.811 -5.150 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.331 5.244 -4.043 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.537 3.772 -4.565 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.259 3.967 -3.693 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.736 4.170 -5.395 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.931 5.502 -4.532 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.724 3.848 -2.126 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.687 2.501 -2.780 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.493 3.996 -2.249 1.00 2.00 H new ATOM 490 N GLN A 31 3.825 3.634 -7.951 1.00 7.06 N ATOM 491 CA GLN A 31 4.789 3.681 -9.006 1.00 8.67 C ATOM 492 C GLN A 31 4.282 4.527 -10.122 1.00 10.90 C ATOM 493 O GLN A 31 5.004 5.350 -10.683 1.00 9.63 O ATOM 494 CB GLN A 31 5.305 2.329 -9.526 1.00 9.12 C ATOM 495 CG GLN A 31 6.201 2.502 -10.754 1.00 10.76 C ATOM 496 CD GLN A 31 6.904 1.207 -11.136 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.435 0.106 -10.849 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.042 1.281 -11.875 1.00 14.76 N ATOM 0 H GLN A 31 3.557 2.680 -7.709 1.00 7.06 H new ATOM 0 HA GLN A 31 5.673 4.129 -8.551 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.862 1.824 -8.737 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.460 1.689 -9.779 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.600 2.850 -11.595 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.945 3.273 -10.554 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.435 2.191 -12.116 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.503 0.427 -12.189 1.00 14.76 H new ATOM 507 N ASP A 32 3.008 4.432 -10.545 1.00 10.93 N ATOM 508 CA ASP A 32 2.316 5.170 -11.556 1.00 14.01 C ATOM 509 C ASP A 32 2.470 6.649 -11.462 1.00 14.04 C ATOM 510 O ASP A 32 3.164 7.240 -12.287 1.00 13.39 O ATOM 511 CB ASP A 32 0.837 4.812 -11.782 1.00 18.01 C ATOM 512 CG ASP A 32 0.124 5.258 -13.050 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.697 5.092 -14.160 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.013 5.797 -12.991 1.00 25.17 O ATOM 0 H ASP A 32 2.386 3.746 -10.118 1.00 10.93 H new ATOM 0 HA ASP A 32 2.848 4.823 -12.442 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.757 3.726 -11.732 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.275 5.213 -10.938 1.00 18.01 H new ATOM 519 N LYS A 33 1.932 7.318 -10.426 1.00 14.22 N ATOM 520 CA LYS A 33 2.053 8.732 -10.247 1.00 14.00 C ATOM 521 C LYS A 33 3.156 9.262 -9.398 1.00 12.37 C ATOM 522 O LYS A 33 3.824 10.197 -9.835 1.00 12.17 O ATOM 523 CB LYS A 33 0.763 9.252 -9.590 1.00 18.62 C ATOM 524 CG LYS A 33 -0.461 8.803 -10.391 1.00 24.00 C ATOM 525 CD LYS A 33 -0.365 9.192 -11.868 1.00 27.61 C ATOM 526 CE LYS A 33 -0.552 10.674 -12.199 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.673 10.904 -13.656 1.00 30.06 N ATOM 0 H LYS A 33 1.396 6.860 -9.689 1.00 14.22 H new ATOM 0 HA LYS A 33 2.265 9.074 -11.260 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.693 8.881 -8.568 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.789 10.340 -9.533 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.569 7.721 -10.309 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.358 9.247 -9.959 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.611 8.880 -12.240 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.113 8.623 -12.420 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.444 11.048 -11.697 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.294 11.242 -11.811 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.798 11.920 -13.838 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.189 10.571 -14.133 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.495 10.383 -14.023 1.00 30.06 H new ATOM 541 N GLU A 34 3.385 8.697 -8.199 1.00 10.11 N ATOM 542 CA GLU A 34 4.297 9.235 -7.237 1.00 10.07 C ATOM 543 C GLU A 34 5.710 9.065 -7.677 1.00 9.32 C ATOM 544 O GLU A 34 6.477 9.990 -7.415 1.00 11.61 O ATOM 545 CB GLU A 34 4.092 8.533 -5.884 1.00 14.77 C ATOM 546 CG GLU A 34 2.665 8.609 -5.336 1.00 18.75 C ATOM 547 CD GLU A 34 2.048 9.998 -5.269 1.00 22.28 C ATOM 548 OE1 GLU A 34 2.560 10.751 -4.398 1.00 21.95 O ATOM 549 OE2 GLU A 34 1.191 10.474 -6.061 1.00 25.19 O ATOM 0 H GLU A 34 2.923 7.842 -7.890 1.00 10.11 H new ATOM 0 HA GLU A 34 4.097 10.302 -7.138 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.372 7.485 -5.987 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.771 8.974 -5.154 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.026 7.979 -5.954 1.00 18.75 H new ATOM 0 HG3 GLU A 34 2.659 8.182 -4.333 1.00 18.75 H new ATOM 556 N GLY A 35 6.034 7.977 -8.398 1.00 7.22 N ATOM 557 CA GLY A 35 7.391 7.795 -8.810 1.00 6.29 C ATOM 558 C GLY A 35 8.244 7.021 -7.863 1.00 6.93 C ATOM 559 O GLY A 35 9.459 7.186 -7.960 1.00 7.41 O ATOM 0 H GLY A 35 5.383 7.247 -8.688 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.396 7.289 -9.775 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.842 8.775 -8.962 1.00 6.29 H new ATOM 563 N ILE A 36 7.668 6.243 -6.930 1.00 5.86 N ATOM 564 CA ILE A 36 8.389 5.386 -6.041 1.00 6.07 C ATOM 565 C ILE A 36 8.333 3.992 -6.564 1.00 6.36 C ATOM 566 O ILE A 36 7.229 3.452 -6.608 1.00 6.18 O ATOM 567 CB ILE A 36 7.852 5.477 -4.643 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.033 6.854 -3.981 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.439 4.377 -3.743 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.912 7.115 -2.977 1.00 9.49 C ATOM 0 H ILE A 36 6.658 6.210 -6.789 1.00 5.86 H new ATOM 0 HA ILE A 36 9.430 5.705 -5.994 1.00 6.07 H new ATOM 0 HB ILE A 36 6.777 5.328 -4.748 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.998 6.898 -3.477 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.036 7.633 -4.743 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.029 4.472 -2.738 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.181 3.399 -4.149 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.523 4.479 -3.704 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.055 8.093 -2.518 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.951 7.092 -3.491 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.929 6.346 -2.205 1.00 9.49 H new ATOM 582 N PRO A 37 9.435 3.358 -6.838 1.00 8.65 N ATOM 583 CA PRO A 37 9.460 2.004 -7.311 1.00 9.18 C ATOM 584 C PRO A 37 9.043 0.927 -6.369 1.00 9.85 C ATOM 585 O PRO A 37 8.953 1.262 -5.189 1.00 8.51 O ATOM 586 CB PRO A 37 10.869 1.716 -7.823 1.00 11.42 C ATOM 587 CG PRO A 37 11.402 3.093 -8.252 1.00 9.27 C ATOM 588 CD PRO A 37 10.467 4.093 -7.553 1.00 8.33 C ATOM 0 HA PRO A 37 8.690 1.964 -8.082 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.492 1.272 -7.047 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.854 1.016 -8.659 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.438 3.233 -7.943 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.374 3.211 -9.335 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.033 4.717 -6.861 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.014 4.760 -8.286 1.00 8.33 H new ATOM 596 N PRO A 38 8.615 -0.227 -6.787 1.00 8.71 N ATOM 597 CA PRO A 38 8.019 -1.190 -5.908 1.00 9.08 C ATOM 598 C PRO A 38 9.038 -1.851 -5.043 1.00 9.28 C ATOM 599 O PRO A 38 8.625 -2.307 -3.979 1.00 6.50 O ATOM 600 CB PRO A 38 7.271 -2.125 -6.856 1.00 10.31 C ATOM 601 CG PRO A 38 8.110 -2.115 -8.144 1.00 10.81 C ATOM 602 CD PRO A 38 8.654 -0.678 -8.170 1.00 12.00 C ATOM 0 HA PRO A 38 7.336 -0.760 -5.175 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.191 -3.130 -6.442 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.256 -1.775 -7.041 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.912 -2.853 -8.113 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.507 -2.337 -9.024 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.670 -0.649 -8.565 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.045 -0.039 -8.809 1.00 12.00 H new ATOM 610 N ASP A 39 10.291 -1.962 -5.520 1.00 11.20 N ATOM 611 CA ASP A 39 11.405 -2.445 -4.765 1.00 14.96 C ATOM 612 C ASP A 39 11.796 -1.454 -3.723 1.00 13.99 C ATOM 613 O ASP A 39 12.384 -1.830 -2.710 1.00 13.75 O ATOM 614 CB ASP A 39 12.570 -2.646 -5.749 1.00 24.16 C ATOM 615 CG ASP A 39 12.935 -1.430 -6.588 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.135 -1.124 -7.511 1.00 35.55 O ATOM 617 OD2 ASP A 39 14.010 -0.783 -6.465 1.00 34.22 O ATOM 0 H ASP A 39 10.538 -1.703 -6.475 1.00 11.20 H new ATOM 0 HA ASP A 39 11.148 -3.378 -4.264 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.450 -2.954 -5.185 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.318 -3.467 -6.420 1.00 24.16 H new ATOM 622 N GLN A 40 11.637 -0.133 -3.916 1.00 11.60 N ATOM 623 CA GLN A 40 12.099 0.822 -2.957 1.00 10.76 C ATOM 624 C GLN A 40 11.304 0.901 -1.699 1.00 8.01 C ATOM 625 O GLN A 40 11.833 1.476 -0.749 1.00 8.96 O ATOM 626 CB GLN A 40 12.179 2.104 -3.804 1.00 11.14 C ATOM 627 CG GLN A 40 12.927 3.220 -3.072 1.00 14.85 C ATOM 628 CD GLN A 40 12.921 4.451 -3.968 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.354 5.502 -3.672 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.657 4.324 -5.105 1.00 18.16 N ATOM 0 H GLN A 40 11.188 0.274 -4.736 1.00 11.60 H new ATOM 0 HA GLN A 40 13.057 0.562 -2.508 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.681 1.887 -4.747 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.172 2.441 -4.050 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.447 3.440 -2.118 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.949 2.913 -2.851 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.114 3.438 -5.320 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.752 5.115 -5.742 1.00 18.16 H new ATOM 639 N GLN A 41 10.083 0.339 -1.719 1.00 6.52 N ATOM 640 CA GLN A 41 9.071 0.483 -0.719 1.00 3.87 C ATOM 641 C GLN A 41 8.709 -0.814 -0.081 1.00 4.79 C ATOM 642 O GLN A 41 8.846 -1.865 -0.706 1.00 6.34 O ATOM 643 CB GLN A 41 7.771 1.141 -1.211 1.00 4.20 C ATOM 644 CG GLN A 41 7.140 0.232 -2.268 1.00 3.20 C ATOM 645 CD GLN A 41 5.856 0.844 -2.809 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.740 0.379 -2.579 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.029 1.821 -3.739 1.00 7.13 N ATOM 0 H GLN A 41 9.782 -0.258 -2.489 1.00 6.52 H new ATOM 0 HA GLN A 41 9.538 1.150 0.006 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.083 1.290 -0.379 1.00 4.20 H new ATOM 0 HB3 GLN A 41 7.979 2.125 -1.632 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.844 0.072 -3.084 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.928 -0.745 -1.834 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.961 2.196 -3.918 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.227 2.179 -4.258 1.00 7.13 H new ATOM 656 N ARG A 42 8.082 -0.729 1.105 1.00 5.73 N ATOM 657 CA ARG A 42 7.371 -1.804 1.725 1.00 6.97 C ATOM 658 C ARG A 42 6.120 -1.223 2.290 1.00 7.15 C ATOM 659 O ARG A 42 6.128 -0.188 2.955 1.00 7.33 O ATOM 660 CB ARG A 42 8.271 -2.420 2.809 1.00 13.23 C ATOM 661 CG ARG A 42 7.576 -3.371 3.786 1.00 21.27 C ATOM 662 CD ARG A 42 8.482 -3.642 4.989 1.00 26.14 C ATOM 663 NE ARG A 42 9.651 -4.479 4.596 1.00 32.26 N ATOM 664 CZ ARG A 42 10.970 -4.210 4.820 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.376 -3.353 5.802 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.898 -4.683 3.938 1.00 36.39 N ATOM 0 H ARG A 42 8.070 0.128 1.657 1.00 5.73 H new ATOM 0 HA ARG A 42 7.110 -2.599 1.027 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.081 -2.960 2.319 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.727 -1.611 3.380 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.634 -2.937 4.121 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.334 -4.308 3.284 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.830 -2.698 5.407 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.914 -4.147 5.771 1.00 26.14 H new ATOM 0 HE ARG A 42 9.442 -5.349 4.106 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.685 -2.892 6.394 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.370 -3.174 5.943 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.601 -5.227 3.128 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.889 -4.492 4.089 1.00 36.39 H new ATOM 680 N LEU A 43 4.950 -1.854 2.082 1.00 4.65 N ATOM 681 CA LEU A 43 3.747 -1.322 2.643 1.00 3.51 C ATOM 682 C LEU A 43 3.499 -2.042 3.924 1.00 5.56 C ATOM 683 O LEU A 43 3.641 -3.258 4.047 1.00 4.19 O ATOM 684 CB LEU A 43 2.569 -1.479 1.667 1.00 3.74 C ATOM 685 CG LEU A 43 2.868 -0.744 0.350 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.734 -1.091 -0.629 1.00 6.41 C ATOM 687 CD2 LEU A 43 3.114 0.770 0.469 1.00 9.55 C ATOM 0 H LEU A 43 4.837 -2.711 1.540 1.00 4.65 H new ATOM 0 HA LEU A 43 3.849 -0.253 2.830 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.390 -2.536 1.469 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.660 -1.080 2.116 1.00 3.74 H new ATOM 0 HG LEU A 43 3.831 -1.094 -0.021 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.908 -0.588 -1.580 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.708 -2.169 -0.788 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.781 -0.762 -0.214 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.315 1.185 -0.519 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.231 1.250 0.892 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.971 0.949 1.119 1.00 9.55 H new ATOM 699 N ILE A 44 3.256 -1.274 5.000 1.00 4.58 N ATOM 700 CA ILE A 44 3.027 -1.798 6.311 1.00 5.55 C ATOM 701 C ILE A 44 1.643 -1.469 6.754 1.00 5.46 C ATOM 702 O ILE A 44 1.151 -0.350 6.612 1.00 6.04 O ATOM 703 CB ILE A 44 3.923 -1.189 7.348 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.384 -1.408 6.920 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.627 -1.639 8.789 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.985 -2.780 7.218 1.00 13.90 C ATOM 0 H ILE A 44 3.217 -0.256 4.957 1.00 4.58 H new ATOM 0 HA ILE A 44 3.212 -2.869 6.233 1.00 5.55 H new ATOM 0 HB ILE A 44 3.719 -0.119 7.390 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.455 -1.231 5.847 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.999 -0.653 7.409 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.321 -1.150 9.473 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.605 -1.366 9.053 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.744 -2.720 8.864 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.017 -2.809 6.869 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.960 -2.963 8.292 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.407 -3.549 6.706 1.00 13.90 H new ATOM 718 N PHE A 45 0.866 -2.413 7.314 1.00 6.75 N ATOM 719 CA PHE A 45 -0.328 -2.087 8.031 1.00 4.70 C ATOM 720 C PHE A 45 -0.127 -2.458 9.460 1.00 6.34 C ATOM 721 O PHE A 45 -0.193 -3.629 9.829 1.00 5.45 O ATOM 722 CB PHE A 45 -1.449 -2.905 7.368 1.00 5.51 C ATOM 723 CG PHE A 45 -2.838 -2.619 7.826 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.303 -1.325 7.826 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.690 -3.615 8.242 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.567 -1.062 8.297 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.936 -3.343 8.757 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.370 -2.041 8.833 1.00 6.84 C ATOM 0 H PHE A 45 1.067 -3.412 7.269 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.581 -1.027 8.003 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.403 -2.738 6.292 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.245 -3.963 7.536 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.680 -0.522 7.459 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.371 -4.644 8.162 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.943 -0.051 8.244 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.570 -4.148 9.100 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.312 -1.795 9.299 1.00 6.84 H new ATOM 738 N ALA A 46 -0.129 -1.442 10.341 1.00 6.53 N ATOM 739 CA ALA A 46 0.114 -1.531 11.747 1.00 7.15 C ATOM 740 C ALA A 46 1.196 -2.452 12.196 1.00 9.00 C ATOM 741 O ALA A 46 2.347 -2.068 12.400 1.00 11.15 O ATOM 742 CB ALA A 46 -1.178 -1.820 12.531 1.00 8.99 C ATOM 0 H ALA A 46 -0.315 -0.484 10.045 1.00 6.53 H new ATOM 0 HA ALA A 46 0.494 -0.536 11.978 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.952 -1.880 13.596 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.896 -1.018 12.357 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.603 -2.766 12.196 1.00 8.99 H new ATOM 748 N GLY A 47 0.954 -3.765 12.354 1.00 9.35 N ATOM 749 CA GLY A 47 1.906 -4.729 12.811 1.00 11.68 C ATOM 750 C GLY A 47 2.592 -5.400 11.671 1.00 11.14 C ATOM 751 O GLY A 47 3.788 -5.668 11.778 1.00 13.93 O ATOM 0 H GLY A 47 0.043 -4.177 12.151 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.645 -4.240 13.445 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.403 -5.476 13.425 1.00 11.68 H new ATOM 755 N LYS A 48 1.858 -5.657 10.574 1.00 10.47 N ATOM 756 CA LYS A 48 2.281 -6.598 9.584 1.00 8.82 C ATOM 757 C LYS A 48 2.789 -5.987 8.324 1.00 7.68 C ATOM 758 O LYS A 48 2.350 -4.916 7.907 1.00 6.47 O ATOM 759 CB LYS A 48 1.182 -7.614 9.230 1.00 9.74 C ATOM 760 CG LYS A 48 -0.152 -7.037 8.752 1.00 14.14 C ATOM 761 CD LYS A 48 -1.161 -8.131 8.396 1.00 16.32 C ATOM 762 CE LYS A 48 -1.818 -8.776 9.618 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.944 -9.613 9.146 1.00 23.92 N ATOM 0 H LYS A 48 0.964 -5.209 10.372 1.00 10.47 H new ATOM 0 HA LYS A 48 3.117 -7.107 10.063 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.566 -8.275 8.453 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.992 -8.231 10.108 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.570 -6.399 9.531 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.019 -6.405 7.880 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.936 -7.706 7.759 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.658 -8.903 7.814 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.095 -9.383 10.163 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.175 -8.010 10.307 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.407 -10.063 9.961 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.632 -9.018 8.642 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.585 -10.347 8.503 1.00 23.92 H new ATOM 777 N GLN A 49 3.746 -6.547 7.563 1.00 8.89 N ATOM 778 CA GLN A 49 4.205 -6.109 6.281 1.00 7.18 C ATOM 779 C GLN A 49 3.434 -6.829 5.229 1.00 8.23 C ATOM 780 O GLN A 49 3.144 -8.023 5.288 1.00 9.70 O ATOM 781 CB GLN A 49 5.684 -6.523 6.198 1.00 11.67 C ATOM 782 CG GLN A 49 6.048 -7.975 6.513 1.00 15.82 C ATOM 783 CD GLN A 49 7.553 -8.160 6.381 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.114 -7.479 5.524 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.172 -9.104 7.138 1.00 20.67 N ATOM 0 H GLN A 49 4.242 -7.382 7.875 1.00 8.89 H new ATOM 0 HA GLN A 49 4.080 -5.035 6.143 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.035 -6.303 5.190 1.00 11.67 H new ATOM 0 HB3 GLN A 49 6.247 -5.884 6.878 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.726 -8.231 7.522 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.527 -8.648 5.832 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.641 -9.631 7.831 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.168 -9.285 7.013 1.00 20.67 H new ATOM 794 N LEU A 50 2.916 -6.058 4.256 1.00 6.51 N ATOM 795 CA LEU A 50 2.087 -6.533 3.192 1.00 7.41 C ATOM 796 C LEU A 50 2.790 -7.295 2.121 1.00 8.27 C ATOM 797 O LEU A 50 3.925 -7.013 1.740 1.00 8.34 O ATOM 798 CB LEU A 50 1.151 -5.466 2.600 1.00 7.13 C ATOM 799 CG LEU A 50 0.437 -4.559 3.616 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.359 -3.449 2.908 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.615 -5.395 4.365 1.00 8.14 C ATOM 0 H LEU A 50 3.084 -5.053 4.209 1.00 6.51 H new ATOM 0 HA LEU A 50 1.459 -7.263 3.702 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.731 -4.836 1.925 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.395 -5.968 1.997 1.00 7.13 H new ATOM 0 HG LEU A 50 1.198 -4.134 4.271 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.853 -2.824 3.652 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.320 -2.838 2.313 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.109 -3.898 2.256 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.131 -4.766 5.090 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.337 -5.794 3.653 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.124 -6.218 4.884 1.00 8.14 H new ATOM 813 N GLU A 51 2.133 -8.335 1.579 1.00 9.43 N ATOM 814 CA GLU A 51 2.813 -9.260 0.726 1.00 11.90 C ATOM 815 C GLU A 51 2.137 -9.246 -0.602 1.00 11.49 C ATOM 816 O GLU A 51 0.907 -9.225 -0.631 1.00 9.88 O ATOM 817 CB GLU A 51 2.730 -10.686 1.296 1.00 16.56 C ATOM 818 CG GLU A 51 3.435 -10.880 2.640 1.00 26.06 C ATOM 819 CD GLU A 51 3.120 -12.231 3.268 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.727 -13.231 2.799 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.477 -12.248 4.351 1.00 32.13 O ATOM 0 H GLU A 51 1.144 -8.535 1.728 1.00 9.43 H new ATOM 0 HA GLU A 51 3.861 -8.971 0.645 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.680 -10.957 1.410 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.161 -11.378 0.572 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.512 -10.790 2.499 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.135 -10.085 3.323 1.00 26.06 H new ATOM 828 N ASP A 52 2.887 -9.170 -1.716 1.00 12.71 N ATOM 829 CA ASP A 52 2.465 -9.007 -3.072 1.00 16.56 C ATOM 830 C ASP A 52 1.174 -9.516 -3.616 1.00 15.83 C ATOM 831 O ASP A 52 0.414 -8.716 -4.159 1.00 17.21 O ATOM 832 CB ASP A 52 3.609 -9.515 -3.966 1.00 21.05 C ATOM 833 CG ASP A 52 4.944 -8.849 -3.665 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.861 -7.652 -3.281 1.00 28.37 O ATOM 835 OD2 ASP A 52 6.033 -9.392 -3.992 1.00 25.82 O ATOM 0 H ASP A 52 3.903 -9.230 -1.655 1.00 12.71 H new ATOM 0 HA ASP A 52 2.231 -7.942 -3.075 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.711 -10.593 -3.838 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.350 -9.341 -5.010 1.00 21.05 H new ATOM 840 N GLY A 53 0.819 -10.806 -3.481 1.00 15.00 N ATOM 841 CA GLY A 53 -0.160 -11.490 -4.268 1.00 11.77 C ATOM 842 C GLY A 53 -1.469 -11.754 -3.607 1.00 11.10 C ATOM 843 O GLY A 53 -2.293 -12.496 -4.140 1.00 11.25 O ATOM 0 H GLY A 53 1.243 -11.410 -2.777 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.343 -10.906 -5.170 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.262 -12.444 -4.586 1.00 11.77 H new ATOM 847 N ARG A 54 -1.706 -11.014 -2.509 1.00 8.53 N ATOM 848 CA ARG A 54 -2.841 -11.222 -1.664 1.00 9.05 C ATOM 849 C ARG A 54 -3.783 -10.067 -1.641 1.00 8.96 C ATOM 850 O ARG A 54 -3.262 -8.971 -1.837 1.00 11.60 O ATOM 851 CB ARG A 54 -2.432 -11.711 -0.265 1.00 7.97 C ATOM 852 CG ARG A 54 -3.538 -12.342 0.583 1.00 9.62 C ATOM 853 CD ARG A 54 -2.883 -13.037 1.778 1.00 12.20 C ATOM 854 NE ARG A 54 -3.929 -13.914 2.376 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.952 -14.234 3.703 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.882 -13.832 4.449 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.015 -14.877 4.268 1.00 25.50 N ATOM 0 H ARG A 54 -1.097 -10.256 -2.202 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.416 -12.032 -2.114 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.630 -12.440 -0.379 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.019 -10.866 0.286 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.239 -11.579 0.923 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.109 -13.058 -0.008 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.019 -13.622 1.462 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.526 -12.307 2.504 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.657 -14.290 1.769 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.118 -13.319 4.009 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.847 -14.044 5.446 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.820 -15.131 3.696 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.004 -15.103 5.263 1.00 25.50 H new ATOM 871 N THR A 55 -5.115 -10.223 -1.536 1.00 9.05 N ATOM 872 CA THR A 55 -6.081 -9.177 -1.673 1.00 9.03 C ATOM 873 C THR A 55 -6.290 -8.368 -0.439 1.00 8.15 C ATOM 874 O THR A 55 -5.973 -8.800 0.668 1.00 5.91 O ATOM 875 CB THR A 55 -7.349 -9.548 -2.384 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.305 -10.240 -1.595 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.250 -10.458 -3.620 1.00 11.71 C ATOM 0 H THR A 55 -5.541 -11.130 -1.345 1.00 9.05 H new ATOM 0 HA THR A 55 -5.597 -8.497 -2.375 1.00 9.03 H new ATOM 0 HB THR A 55 -7.637 -8.534 -2.660 1.00 11.15 H new ATOM 0 HG1 THR A 55 -7.947 -11.116 -1.341 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.248 -10.635 -4.022 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.634 -9.976 -4.379 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.799 -11.409 -3.337 1.00 11.71 H new ATOM 885 N LEU A 56 -6.947 -7.198 -0.522 1.00 6.91 N ATOM 886 CA LEU A 56 -7.207 -6.412 0.644 1.00 8.29 C ATOM 887 C LEU A 56 -8.349 -6.933 1.445 1.00 8.05 C ATOM 888 O LEU A 56 -8.475 -6.726 2.651 1.00 10.17 O ATOM 889 CB LEU A 56 -7.545 -4.979 0.198 1.00 6.60 C ATOM 890 CG LEU A 56 -6.385 -4.321 -0.567 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.933 -3.086 -1.302 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.166 -3.944 0.292 1.00 9.85 C ATOM 0 H LEU A 56 -7.297 -6.797 -1.392 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.317 -6.447 1.272 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.432 -4.997 -0.435 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.790 -4.376 1.072 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.002 -5.067 -1.263 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.126 -2.602 -1.852 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.714 -3.393 -1.998 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.348 -2.386 -0.577 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.404 -3.487 -0.339 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.470 -3.237 1.064 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.760 -4.840 0.761 1.00 9.85 H new ATOM 904 N SER A 57 -9.226 -7.710 0.785 1.00 8.92 N ATOM 905 CA SER A 57 -10.343 -8.399 1.355 1.00 9.00 C ATOM 906 C SER A 57 -9.991 -9.551 2.232 1.00 9.44 C ATOM 907 O SER A 57 -10.413 -9.799 3.360 1.00 10.91 O ATOM 908 CB SER A 57 -11.453 -8.918 0.425 1.00 10.32 C ATOM 909 OG SER A 57 -12.678 -9.113 1.117 1.00 13.59 O ATOM 0 H SER A 57 -9.148 -7.868 -0.220 1.00 8.92 H new ATOM 0 HA SER A 57 -10.741 -7.552 1.913 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.605 -8.209 -0.389 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.138 -9.859 -0.026 1.00 10.32 H new ATOM 0 HG SER A 57 -13.358 -9.441 0.492 1.00 13.59 H new ATOM 915 N ASP A 58 -8.938 -10.254 1.779 1.00 9.11 N ATOM 916 CA ASP A 58 -8.134 -11.213 2.471 1.00 7.91 C ATOM 917 C ASP A 58 -7.552 -10.632 3.714 1.00 9.12 C ATOM 918 O ASP A 58 -7.345 -11.320 4.712 1.00 8.61 O ATOM 919 CB ASP A 58 -7.012 -11.821 1.613 1.00 8.41 C ATOM 920 CG ASP A 58 -7.499 -12.731 0.495 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.367 -13.576 0.842 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.059 -12.552 -0.672 1.00 10.05 O ATOM 0 H ASP A 58 -8.616 -10.134 0.818 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.815 -12.025 2.725 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.426 -11.012 1.177 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.342 -12.387 2.260 1.00 8.41 H new ATOM 927 N TYR A 59 -7.046 -9.391 3.599 1.00 7.97 N ATOM 928 CA TYR A 59 -6.394 -8.733 4.689 1.00 8.45 C ATOM 929 C TYR A 59 -7.290 -7.986 5.615 1.00 10.98 C ATOM 930 O TYR A 59 -6.811 -7.419 6.596 1.00 12.95 O ATOM 931 CB TYR A 59 -5.339 -7.718 4.216 1.00 7.94 C ATOM 932 CG TYR A 59 -3.992 -8.282 3.923 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.169 -8.756 4.918 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.503 -8.230 2.639 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.016 -9.455 4.645 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.236 -8.697 2.381 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.494 -9.270 3.387 1.00 6.76 C ATOM 938 OH TYR A 59 -0.221 -9.741 3.000 1.00 7.63 O ATOM 0 H TYR A 59 -7.089 -8.839 2.743 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.949 -9.572 5.225 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.711 -7.226 3.317 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.233 -6.948 4.980 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.437 -8.573 5.948 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.108 -7.826 1.841 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.552 -10.106 5.371 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.823 -8.614 1.387 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.298 -10.236 2.158 1.00 7.63 H new ATOM 948 N ASN A 60 -8.582 -7.988 5.243 1.00 12.38 N ATOM 949 CA ASN A 60 -9.693 -7.347 5.877 1.00 13.94 C ATOM 950 C ASN A 60 -9.467 -5.886 6.062 1.00 14.16 C ATOM 951 O ASN A 60 -9.818 -5.266 7.065 1.00 14.26 O ATOM 952 CB ASN A 60 -10.054 -7.991 7.226 1.00 19.23 C ATOM 953 CG ASN A 60 -10.279 -9.494 7.138 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.716 -10.262 7.916 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.088 -9.892 6.120 1.00 24.09 N ATOM 0 H ASN A 60 -8.877 -8.494 4.408 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.535 -7.485 5.199 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.255 -7.792 7.940 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.955 -7.518 7.616 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.260 -10.885 5.964 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.523 -9.197 5.513 1.00 24.09 H new ATOM 962 N ILE A 61 -9.088 -5.157 4.997 1.00 11.08 N ATOM 963 CA ILE A 61 -8.939 -3.739 4.887 1.00 11.78 C ATOM 964 C ILE A 61 -10.131 -3.243 4.143 1.00 13.74 C ATOM 965 O ILE A 61 -10.410 -3.527 2.980 1.00 14.60 O ATOM 966 CB ILE A 61 -7.686 -3.509 4.096 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.457 -3.944 4.912 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.420 -2.044 3.713 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.206 -4.102 4.049 1.00 11.42 C ATOM 0 H ILE A 61 -8.861 -5.617 4.115 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.870 -3.228 5.847 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.839 -4.090 3.187 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.265 -3.208 5.693 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.672 -4.889 5.410 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.493 -1.979 3.144 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.245 -1.671 3.106 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.333 -1.442 4.617 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.369 -4.410 4.675 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.385 -4.858 3.284 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.971 -3.151 3.571 1.00 11.42 H new ATOM 981 N GLN A 62 -10.947 -2.412 4.816 1.00 13.97 N ATOM 982 CA GLN A 62 -12.128 -1.811 4.276 1.00 15.52 C ATOM 983 C GLN A 62 -11.793 -0.458 3.750 1.00 13.94 C ATOM 984 O GLN A 62 -10.608 -0.175 3.581 1.00 12.15 O ATOM 985 CB GLN A 62 -13.148 -1.777 5.427 1.00 19.53 C ATOM 986 CG GLN A 62 -13.506 -3.188 5.898 1.00 26.38 C ATOM 987 CD GLN A 62 -14.495 -3.217 7.054 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.657 -3.586 6.891 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.117 -2.720 8.262 1.00 32.71 N ATOM 0 H GLN A 62 -10.774 -2.146 5.785 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.548 -2.365 3.437 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.739 -1.206 6.261 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.051 -1.261 5.100 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.924 -3.745 5.060 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.594 -3.703 6.200 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.156 -2.411 8.408 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.794 -2.656 9.022 1.00 32.71 H new ATOM 998 N LYS A 63 -12.778 0.439 3.565 1.00 11.73 N ATOM 999 CA LYS A 63 -12.512 1.691 2.927 1.00 11.97 C ATOM 1000 C LYS A 63 -11.973 2.629 3.953 1.00 10.41 C ATOM 1001 O LYS A 63 -12.126 2.387 5.149 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.837 2.254 2.386 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.941 2.533 3.407 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.870 3.654 2.936 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.758 4.137 4.084 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.060 4.981 5.079 1.00 25.97 N ATOM 0 H LYS A 63 -13.747 0.301 3.853 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.798 1.566 2.113 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.620 3.183 1.859 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.227 1.553 1.648 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.521 1.625 3.575 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.494 2.807 4.362 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.279 4.486 2.552 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.491 3.298 2.114 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.594 4.700 3.669 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.179 3.269 4.592 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.757 5.548 5.603 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.537 4.375 5.743 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.395 5.615 4.591 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.309 3.719 3.531 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.740 4.762 4.329 1.00 10.94 C ATOM 1022 C GLU A 64 -9.783 4.255 5.352 1.00 9.74 C ATOM 1023 O GLU A 64 -9.575 4.855 6.405 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.747 5.825 4.798 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.670 6.357 3.700 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.680 7.402 4.151 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.314 8.439 4.767 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.885 7.122 3.908 1.00 31.72 O ATOM 0 H GLU A 64 -11.157 3.885 2.536 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.107 5.345 3.659 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.359 5.401 5.594 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.197 6.662 5.229 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.056 6.787 2.908 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.211 5.517 3.264 1.00 24.16 H new ATOM 1035 N SER A 65 -9.136 3.115 5.048 1.00 6.85 N ATOM 1036 CA SER A 65 -8.068 2.517 5.786 1.00 6.90 C ATOM 1037 C SER A 65 -6.724 3.020 5.385 1.00 4.72 C ATOM 1038 O SER A 65 -6.581 3.588 4.303 1.00 3.91 O ATOM 1039 CB SER A 65 -8.106 1.015 5.455 1.00 7.28 C ATOM 1040 OG SER A 65 -7.243 0.263 6.295 1.00 10.56 O ATOM 0 H SER A 65 -9.381 2.571 4.221 1.00 6.85 H new ATOM 0 HA SER A 65 -8.205 2.750 6.842 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.126 0.646 5.560 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.819 0.866 4.414 1.00 7.28 H new ATOM 0 HG SER A 65 -7.680 -0.578 6.545 1.00 10.56 H new ATOM 1046 N THR A 66 -5.788 2.924 6.346 1.00 4.48 N ATOM 1047 CA THR A 66 -4.566 3.664 6.389 1.00 3.80 C ATOM 1048 C THR A 66 -3.349 2.805 6.414 1.00 4.60 C ATOM 1049 O THR A 66 -2.815 2.483 7.474 1.00 5.33 O ATOM 1050 CB THR A 66 -4.495 4.787 7.382 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.756 5.421 7.536 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.484 5.841 6.901 1.00 3.40 C ATOM 0 H THR A 66 -5.891 2.292 7.140 1.00 4.48 H new ATOM 0 HA THR A 66 -4.580 4.177 5.427 1.00 3.80 H new ATOM 0 HB THR A 66 -4.188 4.363 8.338 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.679 6.147 8.190 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.435 6.655 7.624 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.500 5.383 6.803 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.800 6.233 5.934 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.823 2.480 5.219 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.620 1.723 5.063 1.00 3.85 C ATOM 1062 C LEU A 67 -0.490 2.689 4.958 1.00 3.80 C ATOM 1063 O LEU A 67 -0.595 3.854 4.577 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.712 0.898 3.768 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.069 0.331 3.320 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.043 -0.410 1.972 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.618 -0.611 4.405 1.00 8.12 C ATOM 0 H LEU A 67 -3.249 2.753 4.333 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.470 1.049 5.907 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.336 1.522 2.957 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.025 0.058 3.868 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.716 1.196 3.176 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.043 -0.775 1.738 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.713 0.272 1.188 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.355 -1.253 2.033 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.580 -1.012 4.086 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.918 -1.431 4.563 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.746 -0.058 5.336 1.00 8.12 H new ATOM 1079 N HIS A 68 0.708 2.269 5.401 1.00 2.94 N ATOM 1080 CA HIS A 68 1.840 3.143 5.403 1.00 4.17 C ATOM 1081 C HIS A 68 2.866 2.581 4.479 1.00 5.32 C ATOM 1082 O HIS A 68 3.024 1.391 4.212 1.00 7.70 O ATOM 1083 CB HIS A 68 2.541 3.133 6.772 1.00 5.57 C ATOM 1084 CG HIS A 68 1.821 3.715 7.952 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.826 3.063 8.650 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.653 5.017 8.308 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.152 3.982 9.392 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.635 5.199 9.221 1.00 16.30 N ATOM 0 H HIS A 68 0.893 1.331 5.756 1.00 2.94 H new ATOM 0 HA HIS A 68 1.487 4.139 5.134 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.785 2.098 7.011 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.485 3.667 6.664 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.254 5.824 7.917 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.677 3.745 10.042 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.328 6.067 9.660 1.00 16.30 H new ATOM 1096 N LEU A 69 3.466 3.533 3.743 1.00 5.29 N ATOM 1097 CA LEU A 69 4.616 3.307 2.923 1.00 3.97 C ATOM 1098 C LEU A 69 5.888 3.769 3.548 1.00 5.07 C ATOM 1099 O LEU A 69 6.200 4.951 3.681 1.00 4.34 O ATOM 1100 CB LEU A 69 4.443 3.942 1.533 1.00 6.08 C ATOM 1101 CG LEU A 69 5.563 3.585 0.541 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.097 3.824 -0.905 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.825 4.457 0.649 1.00 6.87 C ATOM 0 H LEU A 69 3.137 4.498 3.718 1.00 5.29 H new ATOM 0 HA LEU A 69 4.694 2.225 2.814 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.487 3.625 1.116 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.400 5.026 1.642 1.00 6.08 H new ATOM 0 HG LEU A 69 5.792 2.548 0.786 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.902 3.566 -1.594 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.227 3.202 -1.114 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.832 4.873 -1.033 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.557 4.130 -0.089 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.564 5.499 0.465 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.249 4.361 1.648 1.00 6.87 H new ATOM 1115 N VAL A 70 6.729 2.761 3.839 1.00 4.29 N ATOM 1116 CA VAL A 70 8.056 2.902 4.352 1.00 6.26 C ATOM 1117 C VAL A 70 8.978 2.493 3.255 1.00 9.22 C ATOM 1118 O VAL A 70 8.571 1.943 2.233 1.00 9.36 O ATOM 1119 CB VAL A 70 8.301 2.198 5.654 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.451 2.917 6.716 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.956 0.699 5.671 1.00 8.54 C ATOM 0 H VAL A 70 6.464 1.785 3.707 1.00 4.29 H new ATOM 0 HA VAL A 70 8.236 3.940 4.632 1.00 6.26 H new ATOM 0 HB VAL A 70 9.373 2.241 5.844 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.597 2.438 7.684 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.755 3.962 6.779 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.398 2.861 6.439 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.170 0.288 6.657 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.898 0.567 5.444 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.555 0.179 4.923 1.00 8.54 H new ATOM 1131 N LEU A 71 10.298 2.697 3.414 1.00 12.71 N ATOM 1132 CA LEU A 71 11.280 2.199 2.501 1.00 16.06 C ATOM 1133 C LEU A 71 11.641 0.779 2.773 1.00 18.09 C ATOM 1134 O LEU A 71 11.530 0.299 3.900 1.00 19.26 O ATOM 1135 CB LEU A 71 12.524 3.103 2.474 1.00 17.10 C ATOM 1136 CG LEU A 71 12.321 4.626 2.546 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.671 5.318 2.801 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.678 5.309 1.327 1.00 17.51 C ATOM 0 H LEU A 71 10.692 3.220 4.196 1.00 12.71 H new ATOM 0 HA LEU A 71 10.830 2.220 1.509 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.164 2.813 3.308 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.074 2.884 1.559 1.00 17.10 H new ATOM 0 HG LEU A 71 11.606 4.742 3.360 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.523 6.397 2.851 1.00 19.57 H new ATOM 0 HD12 LEU A 71 14.089 4.965 3.744 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.359 5.084 1.989 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.594 6.380 1.512 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.298 5.140 0.446 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.685 4.892 1.158 1.00 17.51 H new