USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 -54:sc= 1.28 USER MOD Set 1.2: A 25 ASN : amide:sc= 2 K(o=3.3,f=-10!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.193 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -165:sc=-0.00299 (180deg=-0.175) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.16 (180deg=0.904) USER MOD Single : A 2 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0.83 (180deg=-0.212!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.24) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= 0.68 K(o=0.68,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.172 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 62 GLN : amide:sc=-0.00267 K(o=-0.0027,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.0168 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0163 K(o=0.016,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.788 -7.082 -4.664 1.00 9.67 N ATOM 2 CA MET A 1 11.669 -7.635 -3.315 1.00 10.38 C ATOM 3 C MET A 1 10.215 -8.015 -3.052 1.00 9.62 C ATOM 4 O MET A 1 9.299 -7.545 -3.759 1.00 9.62 O ATOM 5 CB MET A 1 12.159 -6.504 -2.283 1.00 13.77 C ATOM 6 CG MET A 1 11.397 -5.191 -2.233 1.00 16.29 C ATOM 7 SD MET A 1 12.480 -3.942 -1.465 1.00 17.17 S ATOM 8 CE MET A 1 11.103 -2.823 -1.110 1.00 16.11 C ATOM 0 H1 MET A 1 12.701 -6.594 -4.760 1.00 9.67 H new ATOM 0 H2 MET A 1 11.732 -7.852 -5.361 1.00 9.67 H new ATOM 0 H3 MET A 1 11.015 -6.407 -4.832 1.00 9.67 H new ATOM 0 HA MET A 1 12.279 -8.531 -3.199 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.140 -6.937 -1.283 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.200 -6.275 -2.511 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.108 -4.880 -3.237 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.478 -5.305 -1.657 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.491 -1.834 -0.867 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.455 -2.754 -1.984 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.532 -3.206 -0.264 1.00 16.11 H new ATOM 20 N GLN A 2 9.958 -8.800 -1.980 1.00 9.27 N ATOM 21 CA GLN A 2 8.687 -9.173 -1.419 1.00 9.07 C ATOM 22 C GLN A 2 8.238 -8.215 -0.303 1.00 8.72 C ATOM 23 O GLN A 2 9.015 -7.730 0.509 1.00 8.22 O ATOM 24 CB GLN A 2 8.892 -10.594 -0.817 1.00 14.46 C ATOM 25 CG GLN A 2 7.655 -11.173 -0.137 1.00 17.01 C ATOM 26 CD GLN A 2 7.955 -12.649 0.186 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.239 -13.568 -0.195 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.052 -12.909 0.991 1.00 19.49 N ATOM 0 H GLN A 2 10.726 -9.216 -1.453 1.00 9.27 H new ATOM 0 HA GLN A 2 7.916 -9.140 -2.189 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.205 -11.271 -1.612 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.706 -10.555 -0.093 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.423 -10.620 0.774 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.785 -11.092 -0.789 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.646 -12.142 1.307 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.266 -13.867 1.268 1.00 19.49 H new ATOM 37 N ILE A 3 6.915 -7.831 -0.275 1.00 5.87 N ATOM 38 CA ILE A 3 6.353 -6.924 0.776 1.00 5.07 C ATOM 39 C ILE A 3 5.014 -7.508 1.171 1.00 4.01 C ATOM 40 O ILE A 3 4.441 -8.368 0.495 1.00 4.61 O ATOM 41 CB ILE A 3 6.250 -5.446 0.548 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.366 -5.093 -0.700 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.680 -4.819 0.448 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.098 -3.620 -0.716 1.00 10.83 C ATOM 0 H ILE A 3 6.229 -8.136 -0.965 1.00 5.87 H new ATOM 0 HA ILE A 3 7.114 -6.917 1.556 1.00 5.07 H new ATOM 0 HB ILE A 3 5.741 -5.008 1.407 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.875 -5.392 -1.617 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.427 -5.645 -0.662 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.596 -3.745 0.282 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.223 -5.002 1.375 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.219 -5.273 -0.383 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.484 -3.371 -1.582 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.572 -3.336 0.195 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.042 -3.079 -0.773 1.00 10.83 H new ATOM 56 N PHE A 4 4.487 -7.081 2.320 1.00 4.55 N ATOM 57 CA PHE A 4 3.190 -7.646 2.806 1.00 4.68 C ATOM 58 C PHE A 4 2.247 -6.533 3.039 1.00 5.30 C ATOM 59 O PHE A 4 2.663 -5.396 3.317 1.00 5.58 O ATOM 60 CB PHE A 4 3.306 -8.432 4.173 1.00 4.83 C ATOM 61 CG PHE A 4 4.522 -9.361 4.178 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.483 -10.501 3.317 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.602 -9.236 5.085 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.511 -11.384 3.303 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.718 -10.061 4.908 1.00 10.61 C ATOM 66 CZ PHE A 4 6.642 -11.209 4.078 1.00 8.90 C ATOM 0 H PHE A 4 4.905 -6.374 2.924 1.00 4.55 H new ATOM 0 HA PHE A 4 2.857 -8.344 2.038 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.384 -7.723 4.997 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.400 -9.015 4.338 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.630 -10.660 2.674 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.565 -8.521 5.894 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.444 -12.253 2.665 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.645 -9.822 5.407 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.447 -11.928 4.052 1.00 8.90 H new ATOM 76 N VAL A 5 0.936 -6.742 2.876 1.00 4.44 N ATOM 77 CA VAL A 5 -0.042 -5.726 3.117 1.00 3.87 C ATOM 78 C VAL A 5 -1.150 -6.331 3.921 1.00 4.93 C ATOM 79 O VAL A 5 -1.768 -7.295 3.466 1.00 6.84 O ATOM 80 CB VAL A 5 -0.590 -5.094 1.848 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.915 -4.320 2.029 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.522 -4.263 1.245 1.00 9.13 C ATOM 0 H VAL A 5 0.542 -7.632 2.571 1.00 4.44 H new ATOM 0 HA VAL A 5 0.443 -4.914 3.659 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.886 -5.884 1.158 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.228 -3.905 1.071 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.684 -4.997 2.400 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.769 -3.511 2.745 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.168 -3.791 0.329 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.828 -3.494 1.955 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.373 -4.905 1.017 1.00 9.13 H new ATOM 92 N LYS A 6 -1.496 -5.743 5.092 1.00 6.04 N ATOM 93 CA LYS A 6 -2.377 -6.342 6.046 1.00 6.12 C ATOM 94 C LYS A 6 -3.567 -5.449 6.368 1.00 6.57 C ATOM 95 O LYS A 6 -3.454 -4.292 6.771 1.00 5.76 O ATOM 96 CB LYS A 6 -1.515 -6.683 7.278 1.00 7.45 C ATOM 97 CG LYS A 6 -2.237 -7.234 8.442 1.00 11.12 C ATOM 98 CD LYS A 6 -1.296 -7.765 9.464 1.00 14.54 C ATOM 99 CE LYS A 6 -1.988 -8.544 10.608 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.951 -9.088 11.474 1.00 20.55 N ATOM 0 H LYS A 6 -1.150 -4.827 5.377 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.832 -7.249 5.649 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.753 -7.401 6.976 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.994 -5.779 7.594 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.859 -6.457 8.887 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.906 -8.029 8.114 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.576 -8.421 8.975 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.733 -6.935 9.891 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.649 -7.886 11.172 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.606 -9.346 10.204 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.392 -9.618 12.253 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.339 -9.725 10.925 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.381 -8.310 11.863 1.00 20.55 H new ATOM 114 N THR A 7 -4.823 -6.001 6.189 1.00 7.41 N ATOM 115 CA THR A 7 -6.013 -5.316 6.587 1.00 7.48 C ATOM 116 C THR A 7 -6.373 -5.488 8.031 1.00 8.75 C ATOM 117 O THR A 7 -6.085 -6.432 8.694 1.00 8.58 O ATOM 118 CB THR A 7 -7.245 -5.798 5.817 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.227 -7.181 5.764 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.957 -5.165 4.429 1.00 9.17 C ATOM 0 H THR A 7 -4.986 -6.916 5.769 1.00 7.41 H new ATOM 0 HA THR A 7 -5.769 -4.274 6.378 1.00 7.48 H new ATOM 0 HB THR A 7 -8.216 -5.530 6.233 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.013 -7.500 5.274 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.762 -5.418 3.739 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.893 -4.082 4.530 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.014 -5.550 4.042 1.00 9.17 H new ATOM 128 N LEU A 8 -7.058 -4.441 8.558 1.00 9.84 N ATOM 129 CA LEU A 8 -7.425 -4.285 9.980 1.00 14.15 C ATOM 130 C LEU A 8 -8.439 -5.398 10.345 1.00 17.37 C ATOM 131 O LEU A 8 -8.639 -5.704 11.523 1.00 17.01 O ATOM 132 CB LEU A 8 -8.124 -2.933 10.193 1.00 16.63 C ATOM 133 CG LEU A 8 -7.275 -1.660 10.035 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.064 -0.402 10.546 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.954 -1.758 10.867 1.00 18.59 C ATOM 0 H LEU A 8 -7.378 -3.661 7.984 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.527 -4.343 10.594 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.956 -2.871 9.492 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.551 -2.930 11.196 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.043 -1.562 8.974 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.447 0.488 10.426 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.981 -0.288 9.968 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.313 -0.532 11.599 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.373 -0.845 10.737 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.197 -1.886 11.922 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.370 -2.611 10.523 1.00 18.59 H new ATOM 147 N THR A 9 -9.101 -5.939 9.272 1.00 18.33 N ATOM 148 CA THR A 9 -10.170 -6.868 9.336 1.00 19.24 C ATOM 149 C THR A 9 -9.672 -8.267 9.243 1.00 19.48 C ATOM 150 O THR A 9 -10.439 -9.190 9.442 1.00 23.14 O ATOM 151 CB THR A 9 -11.293 -6.641 8.280 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.669 -6.694 6.985 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.922 -5.264 8.534 1.00 19.70 C ATOM 0 H THR A 9 -8.855 -5.696 8.312 1.00 18.33 H new ATOM 0 HA THR A 9 -10.627 -6.695 10.311 1.00 19.24 H new ATOM 0 HB THR A 9 -12.078 -7.394 8.340 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.346 -6.557 6.290 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.712 -5.085 7.805 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.343 -5.236 9.539 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.158 -4.492 8.439 1.00 19.70 H new ATOM 161 N GLY A 10 -8.364 -8.564 9.048 1.00 19.43 N ATOM 162 CA GLY A 10 -7.776 -9.932 9.305 1.00 18.74 C ATOM 163 C GLY A 10 -7.235 -10.685 8.055 1.00 17.62 C ATOM 164 O GLY A 10 -7.197 -11.916 8.092 1.00 19.74 O ATOM 0 H GLY A 10 -7.683 -7.883 8.713 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.962 -9.827 10.023 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.539 -10.551 9.776 1.00 18.74 H new ATOM 168 N LYS A 11 -6.808 -9.952 7.008 1.00 13.56 N ATOM 169 CA LYS A 11 -6.221 -10.504 5.792 1.00 11.91 C ATOM 170 C LYS A 11 -4.832 -9.873 5.581 1.00 10.18 C ATOM 171 O LYS A 11 -4.732 -8.650 5.415 1.00 9.10 O ATOM 172 CB LYS A 11 -7.134 -10.407 4.563 1.00 13.43 C ATOM 173 CG LYS A 11 -6.649 -11.254 3.337 1.00 16.69 C ATOM 174 CD LYS A 11 -7.421 -11.096 1.966 1.00 17.92 C ATOM 175 CE LYS A 11 -7.133 -12.243 1.042 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.173 -12.494 0.064 1.00 21.93 N ATOM 0 H LYS A 11 -6.868 -8.934 6.994 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.100 -11.579 5.924 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.136 -10.732 4.842 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.210 -9.362 4.262 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.601 -11.012 3.159 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.689 -12.305 3.622 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.493 -11.039 2.155 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.131 -10.160 1.489 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.197 -12.047 0.518 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.983 -13.145 1.636 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.763 -12.970 -0.765 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.906 -13.101 0.484 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.598 -11.592 -0.230 1.00 21.93 H new ATOM 190 N THR A 12 -3.770 -10.746 5.634 1.00 9.63 N ATOM 191 CA THR A 12 -2.429 -10.340 5.122 1.00 9.85 C ATOM 192 C THR A 12 -2.261 -10.868 3.727 1.00 11.66 C ATOM 193 O THR A 12 -2.470 -12.023 3.470 1.00 12.33 O ATOM 194 CB THR A 12 -1.181 -10.930 5.883 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.370 -10.780 7.290 1.00 10.91 O ATOM 196 CG2 THR A 12 0.092 -10.193 5.571 1.00 9.63 C ATOM 0 H THR A 12 -3.818 -11.693 6.010 1.00 9.63 H new ATOM 0 HA THR A 12 -2.434 -9.256 5.234 1.00 9.85 H new ATOM 0 HB THR A 12 -1.098 -11.970 5.566 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.596 -11.148 7.765 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.917 -10.643 6.123 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.295 -10.253 4.502 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.012 -9.148 5.862 1.00 9.63 H new ATOM 204 N ILE A 13 -1.870 -10.071 2.758 1.00 10.42 N ATOM 205 CA ILE A 13 -1.632 -10.521 1.299 1.00 11.84 C ATOM 206 C ILE A 13 -0.182 -10.226 0.976 1.00 10.55 C ATOM 207 O ILE A 13 0.434 -9.310 1.550 1.00 11.92 O ATOM 208 CB ILE A 13 -2.593 -9.883 0.260 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.329 -8.372 0.122 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.037 -10.201 0.670 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.256 -7.698 -0.941 1.00 16.46 C ATOM 0 H ILE A 13 -1.692 -9.077 2.904 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.851 -11.586 1.226 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.417 -10.307 -0.729 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.479 -7.890 1.088 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.287 -8.212 -0.155 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.725 -9.759 -0.050 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.179 -11.281 0.693 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.234 -9.788 1.660 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.029 -6.633 -0.999 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.088 -8.158 -1.915 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.298 -7.832 -0.652 1.00 16.46 H new ATOM 223 N THR A 14 0.418 -10.903 -0.048 1.00 9.39 N ATOM 224 CA THR A 14 1.817 -10.769 -0.365 1.00 9.63 C ATOM 225 C THR A 14 1.869 -10.153 -1.751 1.00 11.20 C ATOM 226 O THR A 14 0.985 -10.448 -2.536 1.00 11.63 O ATOM 227 CB THR A 14 2.578 -12.107 -0.364 1.00 10.38 C ATOM 228 OG1 THR A 14 2.410 -12.627 0.950 1.00 16.30 O ATOM 229 CG2 THR A 14 4.082 -11.851 -0.378 1.00 11.66 C ATOM 0 H THR A 14 -0.081 -11.550 -0.659 1.00 9.39 H new ATOM 0 HA THR A 14 2.303 -10.158 0.396 1.00 9.63 H new ATOM 0 HB THR A 14 2.237 -12.720 -1.198 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.872 -13.488 1.023 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.613 -12.803 -0.377 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.347 -11.288 -1.273 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.362 -11.279 0.506 1.00 11.66 H new ATOM 237 N LEU A 15 2.867 -9.316 -2.000 1.00 8.29 N ATOM 238 CA LEU A 15 3.021 -8.515 -3.243 1.00 9.03 C ATOM 239 C LEU A 15 4.507 -8.537 -3.578 1.00 8.59 C ATOM 240 O LEU A 15 5.378 -8.752 -2.709 1.00 7.79 O ATOM 241 CB LEU A 15 2.574 -7.090 -3.063 1.00 11.08 C ATOM 242 CG LEU A 15 1.129 -6.838 -2.625 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.870 -5.414 -2.154 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.131 -7.287 -3.682 1.00 15.27 C ATOM 0 H LEU A 15 3.623 -9.159 -1.333 1.00 8.29 H new ATOM 0 HA LEU A 15 2.403 -8.939 -4.034 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.231 -6.625 -2.328 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.732 -6.569 -4.007 1.00 11.08 H new ATOM 0 HG LEU A 15 0.974 -7.462 -1.745 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.175 -5.312 -1.860 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.510 -5.191 -1.301 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.089 -4.718 -2.963 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.883 -7.091 -3.332 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.308 -6.738 -4.607 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.251 -8.355 -3.866 1.00 15.27 H new ATOM 256 N GLU A 16 4.829 -8.183 -4.879 1.00 11.04 N ATOM 257 CA GLU A 16 6.207 -7.933 -5.334 1.00 11.50 C ATOM 258 C GLU A 16 6.371 -6.480 -5.857 1.00 10.13 C ATOM 259 O GLU A 16 5.529 -5.873 -6.569 1.00 9.83 O ATOM 260 CB GLU A 16 6.605 -8.911 -6.481 1.00 17.22 C ATOM 261 CG GLU A 16 8.094 -8.923 -6.963 1.00 23.33 C ATOM 262 CD GLU A 16 8.334 -9.938 -8.035 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.649 -9.840 -9.115 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.236 -10.804 -7.902 1.00 28.86 O ATOM 0 H GLU A 16 4.130 -8.071 -5.614 1.00 11.04 H new ATOM 0 HA GLU A 16 6.856 -8.089 -4.472 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.352 -9.921 -6.159 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.978 -8.684 -7.344 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.361 -7.934 -7.335 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.747 -9.132 -6.115 1.00 23.33 H new ATOM 271 N VAL A 17 7.501 -5.892 -5.497 1.00 8.99 N ATOM 272 CA VAL A 17 7.697 -4.507 -5.788 1.00 8.85 C ATOM 273 C VAL A 17 9.196 -4.329 -6.019 1.00 8.04 C ATOM 274 O VAL A 17 10.036 -5.157 -5.681 1.00 8.99 O ATOM 275 CB VAL A 17 7.279 -3.491 -4.647 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.745 -3.362 -4.542 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.975 -3.901 -3.330 1.00 10.54 C ATOM 0 H VAL A 17 8.273 -6.352 -5.014 1.00 8.99 H new ATOM 0 HA VAL A 17 7.057 -4.274 -6.639 1.00 8.85 H new ATOM 0 HB VAL A 17 7.621 -2.485 -4.891 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.493 -2.657 -3.750 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.344 -3.001 -5.489 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.313 -4.336 -4.313 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.693 -3.207 -2.538 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.667 -4.910 -3.055 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.056 -3.876 -3.467 1.00 10.54 H new ATOM 287 N GLU A 18 9.571 -3.083 -6.380 1.00 7.29 N ATOM 288 CA GLU A 18 10.915 -2.534 -6.318 1.00 7.08 C ATOM 289 C GLU A 18 10.860 -1.342 -5.432 1.00 6.45 C ATOM 290 O GLU A 18 9.758 -0.775 -5.260 1.00 5.28 O ATOM 291 CB GLU A 18 11.424 -2.187 -7.711 1.00 10.28 C ATOM 292 CG GLU A 18 11.842 -3.334 -8.630 1.00 12.65 C ATOM 293 CD GLU A 18 13.171 -3.943 -8.161 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.228 -3.236 -8.203 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.208 -5.108 -7.769 1.00 14.33 O ATOM 0 H GLU A 18 8.897 -2.408 -6.740 1.00 7.29 H new ATOM 0 HA GLU A 18 11.617 -3.263 -5.914 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.644 -1.619 -8.219 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.280 -1.522 -7.597 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.067 -4.101 -8.640 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.943 -2.970 -9.652 1.00 12.65 H new ATOM 302 N PRO A 19 11.904 -0.912 -4.788 1.00 7.24 N ATOM 303 CA PRO A 19 12.084 0.340 -4.117 1.00 7.07 C ATOM 304 C PRO A 19 11.724 1.577 -4.967 1.00 6.65 C ATOM 305 O PRO A 19 11.409 2.638 -4.422 1.00 6.37 O ATOM 306 CB PRO A 19 13.557 0.372 -3.710 1.00 7.61 C ATOM 307 CG PRO A 19 13.864 -1.121 -3.490 1.00 8.16 C ATOM 308 CD PRO A 19 13.087 -1.762 -4.646 1.00 7.49 C ATOM 0 HA PRO A 19 11.403 0.399 -3.268 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.185 0.807 -4.487 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.717 0.959 -2.805 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.932 -1.333 -3.545 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.519 -1.473 -2.518 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.677 -1.782 -5.562 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.814 -2.793 -4.421 1.00 7.49 H new ATOM 316 N SER A 20 11.698 1.403 -6.355 1.00 6.80 N ATOM 317 CA SER A 20 11.432 2.446 -7.357 1.00 6.28 C ATOM 318 C SER A 20 9.912 2.482 -7.842 1.00 8.45 C ATOM 319 O SER A 20 9.498 3.303 -8.632 1.00 7.26 O ATOM 320 CB SER A 20 12.242 2.157 -8.698 1.00 8.57 C ATOM 321 OG SER A 20 12.301 0.759 -8.963 1.00 11.13 O ATOM 0 H SER A 20 11.871 0.493 -6.782 1.00 6.80 H new ATOM 0 HA SER A 20 11.713 3.375 -6.860 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.766 2.670 -9.533 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.252 2.558 -8.612 1.00 8.57 H new ATOM 0 HG SER A 20 12.801 0.604 -9.791 1.00 11.13 H new ATOM 327 N ASP A 21 9.006 1.627 -7.325 1.00 7.50 N ATOM 328 CA ASP A 21 7.565 1.791 -7.490 1.00 7.70 C ATOM 329 C ASP A 21 6.939 3.048 -6.713 1.00 7.08 C ATOM 330 O ASP A 21 7.457 3.329 -5.614 1.00 8.11 O ATOM 331 CB ASP A 21 6.780 0.539 -7.123 1.00 11.00 C ATOM 332 CG ASP A 21 6.936 -0.500 -8.217 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.556 -0.178 -9.371 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.400 -1.637 -7.962 1.00 14.36 O ATOM 0 H ASP A 21 9.264 0.804 -6.781 1.00 7.50 H new ATOM 0 HA ASP A 21 7.461 1.984 -8.558 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.137 0.139 -6.174 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.727 0.785 -6.989 1.00 11.00 H new ATOM 339 N THR A 22 5.923 3.832 -7.171 1.00 5.37 N ATOM 340 CA THR A 22 5.270 4.750 -6.354 1.00 6.01 C ATOM 341 C THR A 22 4.099 4.076 -5.560 1.00 8.01 C ATOM 342 O THR A 22 3.740 2.937 -5.806 1.00 8.11 O ATOM 343 CB THR A 22 4.718 6.003 -7.080 1.00 8.92 C ATOM 344 OG1 THR A 22 3.690 5.650 -7.990 1.00 10.22 O ATOM 345 CG2 THR A 22 5.693 6.720 -8.015 1.00 9.65 C ATOM 0 H THR A 22 5.574 3.803 -8.129 1.00 5.37 H new ATOM 0 HA THR A 22 6.051 5.097 -5.678 1.00 6.01 H new ATOM 0 HB THR A 22 4.430 6.634 -6.239 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.018 4.959 -8.602 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.198 7.580 -8.467 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.560 7.057 -7.447 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.016 6.035 -8.798 1.00 9.65 H new ATOM 353 N ILE A 23 3.538 4.787 -4.569 1.00 8.32 N ATOM 354 CA ILE A 23 2.407 4.258 -3.777 1.00 9.92 C ATOM 355 C ILE A 23 1.189 4.043 -4.629 1.00 10.01 C ATOM 356 O ILE A 23 0.459 3.087 -4.455 1.00 8.71 O ATOM 357 CB ILE A 23 2.171 5.081 -2.542 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.522 5.342 -1.694 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.139 4.467 -1.560 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.258 4.132 -1.087 1.00 12.30 C ATOM 0 H ILE A 23 3.843 5.721 -4.296 1.00 8.32 H new ATOM 0 HA ILE A 23 2.671 3.266 -3.411 1.00 9.92 H new ATOM 0 HB ILE A 23 1.779 6.016 -2.943 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.224 5.865 -2.343 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.275 6.022 -0.879 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.026 5.121 -0.695 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.178 4.360 -2.062 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.488 3.488 -1.231 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.142 4.476 -0.550 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.594 3.611 -0.397 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.559 3.452 -1.884 1.00 12.30 H new ATOM 372 N GLU A 24 0.955 4.829 -5.693 1.00 9.54 N ATOM 373 CA GLU A 24 -0.069 4.621 -6.667 1.00 11.81 C ATOM 374 C GLU A 24 0.060 3.336 -7.413 1.00 11.14 C ATOM 375 O GLU A 24 -0.959 2.687 -7.731 1.00 10.62 O ATOM 376 CB GLU A 24 -0.096 5.812 -7.581 1.00 19.24 C ATOM 377 CG GLU A 24 -1.308 5.834 -8.541 1.00 27.76 C ATOM 378 CD GLU A 24 -1.519 7.217 -9.222 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.578 7.603 -9.959 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.614 7.814 -9.106 1.00 34.80 O ATOM 0 H GLU A 24 1.515 5.660 -5.884 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.023 4.527 -6.148 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.105 6.720 -6.979 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.822 5.828 -8.169 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.169 5.074 -9.310 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.208 5.567 -7.987 1.00 27.76 H new ATOM 387 N ASN A 25 1.317 2.900 -7.673 1.00 9.43 N ATOM 388 CA ASN A 25 1.603 1.566 -8.176 1.00 10.96 C ATOM 389 C ASN A 25 1.303 0.411 -7.230 1.00 9.68 C ATOM 390 O ASN A 25 0.841 -0.628 -7.657 1.00 9.33 O ATOM 391 CB ASN A 25 3.049 1.404 -8.637 1.00 16.78 C ATOM 392 CG ASN A 25 3.356 2.555 -9.539 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.177 3.393 -9.163 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.643 2.743 -10.704 1.00 24.70 N ATOM 0 H ASN A 25 2.148 3.475 -7.535 1.00 9.43 H new ATOM 0 HA ASN A 25 0.907 1.500 -9.012 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.726 1.393 -7.783 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.182 0.458 -9.162 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.793 3.582 -11.264 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.966 2.043 -11.006 1.00 24.70 H new ATOM 401 N VAL A 26 1.531 0.522 -5.927 1.00 6.52 N ATOM 402 CA VAL A 26 1.248 -0.600 -4.952 1.00 5.53 C ATOM 403 C VAL A 26 -0.284 -0.770 -4.808 1.00 4.42 C ATOM 404 O VAL A 26 -0.785 -1.874 -4.617 1.00 3.40 O ATOM 405 CB VAL A 26 1.897 -0.339 -3.531 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.612 -1.523 -2.566 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.388 -0.217 -3.874 1.00 8.12 C ATOM 0 H VAL A 26 1.910 1.363 -5.492 1.00 6.52 H new ATOM 0 HA VAL A 26 1.697 -1.511 -5.348 1.00 5.53 H new ATOM 0 HB VAL A 26 1.506 0.537 -3.014 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.068 -1.320 -1.597 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.535 -1.641 -2.443 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.033 -2.439 -2.980 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.957 -0.032 -2.963 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.732 -1.143 -4.336 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.535 0.611 -4.568 1.00 8.12 H new ATOM 417 N LYS A 27 -1.110 0.302 -4.947 1.00 2.64 N ATOM 418 CA LYS A 27 -2.529 0.308 -4.923 1.00 4.14 C ATOM 419 C LYS A 27 -3.128 -0.479 -6.119 1.00 5.58 C ATOM 420 O LYS A 27 -4.059 -1.242 -5.911 1.00 4.11 O ATOM 421 CB LYS A 27 -3.133 1.726 -4.696 1.00 3.97 C ATOM 422 CG LYS A 27 -2.729 2.275 -3.350 1.00 7.45 C ATOM 423 CD LYS A 27 -3.051 3.774 -3.202 1.00 9.02 C ATOM 424 CE LYS A 27 -2.938 4.316 -1.771 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.264 5.746 -1.700 1.00 15.47 N ATOM 0 H LYS A 27 -0.733 1.239 -5.088 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.842 -0.243 -4.036 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.796 2.400 -5.484 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.220 1.677 -4.762 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.241 1.718 -2.566 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.660 2.121 -3.205 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.378 4.341 -3.845 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.064 3.952 -3.564 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.608 3.758 -1.117 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.925 4.156 -1.401 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.984 6.120 -0.771 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.752 6.256 -2.448 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.288 5.876 -1.831 1.00 15.47 H new ATOM 439 N ALA A 28 -2.592 -0.330 -7.370 1.00 6.61 N ATOM 440 CA ALA A 28 -3.032 -1.136 -8.550 1.00 7.74 C ATOM 441 C ALA A 28 -2.650 -2.629 -8.404 1.00 9.17 C ATOM 442 O ALA A 28 -3.409 -3.476 -8.876 1.00 11.45 O ATOM 443 CB ALA A 28 -2.293 -0.577 -9.797 1.00 7.68 C ATOM 0 H ALA A 28 -1.855 0.341 -7.585 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.116 -1.066 -8.636 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.590 -1.143 -10.680 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.553 0.473 -9.934 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.216 -0.668 -9.653 1.00 7.68 H new ATOM 449 N LYS A 29 -1.480 -2.996 -7.711 1.00 8.96 N ATOM 450 CA LYS A 29 -1.201 -4.321 -7.271 1.00 7.90 C ATOM 451 C LYS A 29 -2.204 -4.872 -6.275 1.00 6.92 C ATOM 452 O LYS A 29 -2.645 -6.025 -6.408 1.00 6.87 O ATOM 453 CB LYS A 29 0.205 -4.455 -6.758 1.00 10.28 C ATOM 454 CG LYS A 29 1.273 -3.990 -7.769 1.00 14.94 C ATOM 455 CD LYS A 29 2.737 -4.102 -7.169 1.00 19.69 C ATOM 456 CE LYS A 29 3.816 -3.301 -7.931 1.00 22.63 C ATOM 457 NZ LYS A 29 4.069 -3.784 -9.307 1.00 24.98 N ATOM 0 H LYS A 29 -0.745 -2.329 -7.475 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.303 -4.940 -8.162 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.306 -3.874 -5.841 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.391 -5.497 -6.498 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.204 -4.593 -8.675 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.076 -2.958 -8.057 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.716 -3.762 -6.134 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.028 -5.152 -7.154 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.513 -2.255 -7.975 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.748 -3.340 -7.367 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.804 -3.197 -9.751 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.389 -4.773 -9.274 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.193 -3.722 -9.863 1.00 24.98 H new ATOM 471 N ILE A 30 -2.707 -4.080 -5.286 1.00 4.57 N ATOM 472 CA ILE A 30 -3.752 -4.459 -4.397 1.00 5.58 C ATOM 473 C ILE A 30 -5.100 -4.722 -5.179 1.00 7.26 C ATOM 474 O ILE A 30 -5.889 -5.653 -4.882 1.00 9.46 O ATOM 475 CB ILE A 30 -3.865 -3.385 -3.276 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.653 -3.520 -2.343 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.223 -3.656 -2.507 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.376 -2.248 -1.505 1.00 2.00 C ATOM 0 H ILE A 30 -2.359 -3.137 -5.112 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.522 -5.410 -3.916 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.870 -2.371 -3.675 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.815 -4.362 -1.669 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.770 -3.753 -2.938 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.342 -2.923 -1.710 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.058 -3.574 -3.203 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.205 -4.658 -2.079 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.507 -2.414 -0.869 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.183 -1.408 -2.172 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.243 -2.026 -0.883 1.00 2.00 H new ATOM 490 N GLN A 31 -5.385 -3.876 -6.192 1.00 7.06 N ATOM 491 CA GLN A 31 -6.480 -4.071 -7.122 1.00 8.67 C ATOM 492 C GLN A 31 -6.360 -5.315 -8.025 1.00 10.90 C ATOM 493 O GLN A 31 -7.332 -6.036 -8.197 1.00 9.63 O ATOM 494 CB GLN A 31 -6.686 -2.977 -8.173 1.00 9.12 C ATOM 495 CG GLN A 31 -8.012 -2.987 -8.875 1.00 10.76 C ATOM 496 CD GLN A 31 -8.321 -1.595 -9.441 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.488 -0.697 -9.604 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.624 -1.352 -9.819 1.00 14.76 N ATOM 0 H GLN A 31 -4.844 -3.031 -6.376 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.288 -4.120 -6.392 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.559 -2.008 -7.691 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.899 -3.066 -8.922 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.000 -3.721 -9.681 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.797 -3.288 -8.181 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.334 -2.074 -9.697 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.879 -0.450 -10.221 1.00 14.76 H new ATOM 507 N ASP A 32 -5.154 -5.619 -8.564 1.00 10.93 N ATOM 508 CA ASP A 32 -4.822 -6.868 -9.250 1.00 14.01 C ATOM 509 C ASP A 32 -4.932 -8.130 -8.415 1.00 14.04 C ATOM 510 O ASP A 32 -5.396 -9.172 -8.915 1.00 13.39 O ATOM 511 CB ASP A 32 -3.297 -6.690 -9.754 1.00 18.01 C ATOM 512 CG ASP A 32 -2.891 -7.866 -10.574 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.485 -8.085 -11.669 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.014 -8.650 -10.079 1.00 26.29 O ATOM 0 H ASP A 32 -4.367 -4.972 -8.526 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.549 -7.017 -10.048 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.204 -5.777 -10.342 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.632 -6.587 -8.897 1.00 18.01 H new ATOM 519 N LYS A 33 -4.627 -8.126 -7.127 1.00 14.22 N ATOM 520 CA LYS A 33 -4.762 -9.335 -6.264 1.00 14.00 C ATOM 521 C LYS A 33 -6.147 -9.387 -5.721 1.00 12.37 C ATOM 522 O LYS A 33 -6.817 -10.460 -5.832 1.00 12.17 O ATOM 523 CB LYS A 33 -3.678 -9.321 -5.099 1.00 18.62 C ATOM 524 CG LYS A 33 -3.588 -10.758 -4.590 1.00 24.00 C ATOM 525 CD LYS A 33 -2.271 -11.144 -3.935 1.00 27.61 C ATOM 526 CE LYS A 33 -1.126 -11.330 -4.951 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.021 -12.170 -4.362 1.00 30.06 N ATOM 0 H LYS A 33 -4.280 -7.303 -6.634 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.581 -10.232 -6.856 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.712 -8.977 -5.469 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.973 -8.642 -4.299 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.391 -10.921 -3.871 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.768 -11.433 -5.427 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.990 -10.375 -3.216 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.407 -12.069 -3.375 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.509 -11.805 -5.854 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.732 -10.357 -5.245 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.708 -12.340 -5.084 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.402 -11.670 -3.554 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.410 -13.080 -4.042 1.00 30.06 H new ATOM 541 N GLU A 34 -6.693 -8.266 -5.056 1.00 10.11 N ATOM 542 CA GLU A 34 -7.956 -8.310 -4.247 1.00 10.07 C ATOM 543 C GLU A 34 -9.056 -7.477 -4.781 1.00 9.32 C ATOM 544 O GLU A 34 -10.109 -7.303 -4.174 1.00 11.61 O ATOM 545 CB GLU A 34 -7.749 -7.766 -2.885 1.00 14.77 C ATOM 546 CG GLU A 34 -6.768 -8.603 -2.073 1.00 18.75 C ATOM 547 CD GLU A 34 -7.389 -9.955 -1.700 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.524 -9.970 -1.147 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.709 -10.957 -1.970 1.00 21.95 O ATOM 0 H GLU A 34 -6.261 -7.343 -5.082 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.218 -9.368 -4.268 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.379 -6.743 -2.957 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.705 -7.723 -2.364 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.856 -8.762 -2.648 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.485 -8.065 -1.168 1.00 18.75 H new ATOM 556 N GLY A 35 -8.925 -6.897 -5.989 1.00 7.22 N ATOM 557 CA GLY A 35 -10.015 -6.218 -6.671 1.00 6.29 C ATOM 558 C GLY A 35 -10.376 -4.818 -6.198 1.00 6.93 C ATOM 559 O GLY A 35 -11.123 -4.061 -6.841 1.00 7.41 O ATOM 0 H GLY A 35 -8.050 -6.893 -6.513 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.765 -6.161 -7.730 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.905 -6.842 -6.586 1.00 6.29 H new ATOM 563 N ILE A 36 -9.945 -4.340 -5.034 1.00 5.86 N ATOM 564 CA ILE A 36 -10.200 -3.027 -4.436 1.00 6.07 C ATOM 565 C ILE A 36 -9.566 -1.850 -5.297 1.00 6.36 C ATOM 566 O ILE A 36 -8.404 -1.949 -5.658 1.00 6.18 O ATOM 567 CB ILE A 36 -9.580 -2.996 -3.047 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.002 -4.234 -2.290 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.110 -1.754 -2.329 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.274 -4.365 -0.872 1.00 9.49 C ATOM 0 H ILE A 36 -9.355 -4.911 -4.429 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.279 -2.878 -4.396 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.492 -2.967 -3.107 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.081 -4.213 -2.140 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.781 -5.116 -2.891 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.683 -1.703 -1.327 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.829 -0.862 -2.889 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.196 -1.811 -2.258 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.614 -5.271 -0.371 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.195 -4.415 -1.020 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.516 -3.498 -0.257 1.00 9.49 H new ATOM 582 N PRO A 37 -10.256 -0.746 -5.614 1.00 8.65 N ATOM 583 CA PRO A 37 -9.631 0.326 -6.472 1.00 9.18 C ATOM 584 C PRO A 37 -8.806 1.303 -5.659 1.00 9.85 C ATOM 585 O PRO A 37 -9.202 1.488 -4.493 1.00 8.51 O ATOM 586 CB PRO A 37 -10.852 1.006 -7.149 1.00 11.42 C ATOM 587 CG PRO A 37 -12.001 0.713 -6.190 1.00 9.27 C ATOM 588 CD PRO A 37 -11.708 -0.716 -5.674 1.00 8.33 C ATOM 0 HA PRO A 37 -8.922 -0.076 -7.195 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.697 2.078 -7.273 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.042 0.594 -8.140 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.031 1.433 -5.373 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.965 0.764 -6.696 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.157 -0.893 -4.697 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.101 -1.478 -6.348 1.00 8.33 H new ATOM 596 N PRO A 38 -7.772 1.917 -6.160 1.00 8.71 N ATOM 597 CA PRO A 38 -6.926 2.893 -5.470 1.00 9.08 C ATOM 598 C PRO A 38 -7.769 3.944 -4.707 1.00 9.28 C ATOM 599 O PRO A 38 -7.442 4.345 -3.616 1.00 6.50 O ATOM 600 CB PRO A 38 -5.829 3.363 -6.467 1.00 10.31 C ATOM 601 CG PRO A 38 -5.813 2.228 -7.516 1.00 10.81 C ATOM 602 CD PRO A 38 -7.201 1.560 -7.425 1.00 12.00 C ATOM 0 HA PRO A 38 -6.365 2.470 -4.637 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.075 4.325 -6.916 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.861 3.477 -5.979 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.632 2.621 -8.516 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.019 1.512 -7.307 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.841 1.894 -8.242 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.111 0.477 -7.513 1.00 12.00 H new ATOM 610 N ASP A 39 -8.955 4.361 -5.243 1.00 11.20 N ATOM 611 CA ASP A 39 -9.889 5.230 -4.540 1.00 14.96 C ATOM 612 C ASP A 39 -10.403 4.831 -3.151 1.00 13.99 C ATOM 613 O ASP A 39 -10.584 5.611 -2.273 1.00 13.75 O ATOM 614 CB ASP A 39 -11.151 5.353 -5.479 1.00 24.16 C ATOM 615 CG ASP A 39 -10.797 5.640 -6.928 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.454 4.660 -7.669 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.877 6.828 -7.400 1.00 34.22 O ATOM 0 H ASP A 39 -9.270 4.092 -6.175 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.315 6.135 -4.340 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.724 4.427 -5.429 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.797 6.148 -5.106 1.00 24.16 H new ATOM 622 N GLN A 40 -10.635 3.516 -3.015 1.00 11.60 N ATOM 623 CA GLN A 40 -11.143 2.837 -1.848 1.00 10.76 C ATOM 624 C GLN A 40 -10.004 2.402 -0.912 1.00 8.01 C ATOM 625 O GLN A 40 -10.243 1.481 -0.055 1.00 8.96 O ATOM 626 CB GLN A 40 -11.982 1.605 -2.181 1.00 11.14 C ATOM 627 CG GLN A 40 -13.252 2.083 -2.933 1.00 14.85 C ATOM 628 CD GLN A 40 -14.351 1.035 -3.172 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.694 0.623 -4.251 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.104 0.712 -2.097 1.00 18.16 N ATOM 0 H GLN A 40 -10.454 2.867 -3.781 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.785 3.567 -1.355 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.412 0.910 -2.798 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.256 1.072 -1.270 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.687 2.910 -2.373 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.945 2.480 -3.901 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.839 1.046 -1.170 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.937 0.134 -2.213 1.00 18.16 H new ATOM 639 N GLN A 41 -8.756 2.931 -1.030 1.00 6.52 N ATOM 640 CA GLN A 41 -7.617 2.402 -0.285 1.00 3.87 C ATOM 641 C GLN A 41 -6.832 3.534 0.377 1.00 4.79 C ATOM 642 O GLN A 41 -6.729 4.675 -0.076 1.00 6.34 O ATOM 643 CB GLN A 41 -6.632 1.724 -1.242 1.00 4.20 C ATOM 644 CG GLN A 41 -7.217 0.462 -1.904 1.00 3.20 C ATOM 645 CD GLN A 41 -6.141 -0.226 -2.766 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.975 -0.122 -2.428 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.458 -0.735 -3.992 1.00 7.13 N ATOM 0 H GLN A 41 -8.530 3.720 -1.636 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.014 1.706 0.454 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.339 2.433 -2.017 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.727 1.456 -0.696 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.577 -0.226 -1.139 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.074 0.729 -2.522 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.435 -0.821 -4.272 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.718 -1.030 -4.629 1.00 7.13 H new ATOM 656 N ARG A 42 -6.234 3.253 1.572 1.00 5.73 N ATOM 657 CA ARG A 42 -5.295 4.158 2.215 1.00 6.97 C ATOM 658 C ARG A 42 -4.160 3.207 2.611 1.00 7.15 C ATOM 659 O ARG A 42 -4.428 2.078 2.961 1.00 7.33 O ATOM 660 CB ARG A 42 -5.858 4.747 3.506 1.00 13.23 C ATOM 661 CG ARG A 42 -7.018 5.736 3.326 1.00 21.27 C ATOM 662 CD ARG A 42 -7.720 5.844 4.652 1.00 26.14 C ATOM 663 NE ARG A 42 -8.608 7.045 4.628 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.935 7.125 4.796 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.677 6.006 4.778 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.577 8.273 4.832 1.00 36.39 N ATOM 0 H ARG A 42 -6.403 2.394 2.095 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.028 4.994 1.569 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.196 3.929 4.142 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.051 5.252 4.037 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.647 6.710 3.007 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.705 5.388 2.554 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.306 4.945 4.844 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.992 5.928 5.459 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.136 7.933 4.459 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.230 5.100 4.637 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.687 6.062 4.905 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.063 9.148 4.730 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.589 8.288 4.962 1.00 36.39 H new ATOM 680 N LEU A 43 -2.906 3.665 2.561 1.00 4.65 N ATOM 681 CA LEU A 43 -1.708 2.822 2.942 1.00 3.51 C ATOM 682 C LEU A 43 -0.930 3.379 4.151 1.00 5.56 C ATOM 683 O LEU A 43 -0.459 4.487 4.166 1.00 4.19 O ATOM 684 CB LEU A 43 -0.765 2.388 1.790 1.00 3.74 C ATOM 685 CG LEU A 43 -1.322 1.347 0.856 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.507 1.218 -0.443 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.675 -0.033 1.486 1.00 6.41 C ATOM 0 H LEU A 43 -2.666 4.611 2.264 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.178 1.888 3.250 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.501 3.271 1.207 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.159 2.005 2.224 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.300 1.751 0.593 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.954 0.453 -1.078 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.507 2.173 -0.969 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.518 0.936 -0.203 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.066 -0.696 0.714 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.779 -0.474 1.923 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.427 0.103 2.263 1.00 6.41 H new ATOM 699 N ILE A 44 -0.782 2.639 5.235 1.00 4.58 N ATOM 700 CA ILE A 44 -0.087 3.230 6.420 1.00 5.55 C ATOM 701 C ILE A 44 1.149 2.382 6.808 1.00 5.46 C ATOM 702 O ILE A 44 1.127 1.145 6.813 1.00 6.04 O ATOM 703 CB ILE A 44 -1.106 3.279 7.618 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.269 4.225 7.254 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.369 3.843 8.903 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.160 4.620 8.406 1.00 13.90 C ATOM 0 H ILE A 44 -1.105 1.678 5.344 1.00 4.58 H new ATOM 0 HA ILE A 44 0.259 4.235 6.178 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.489 2.278 7.817 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.855 5.130 6.809 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.881 3.745 6.490 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.069 3.880 9.737 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.466 3.191 9.159 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.004 4.847 8.698 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.945 5.285 8.047 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.611 3.727 8.840 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.568 5.133 9.164 1.00 13.90 H new ATOM 718 N PHE A 45 2.274 3.067 7.098 1.00 6.75 N ATOM 719 CA PHE A 45 3.490 2.400 7.525 1.00 4.70 C ATOM 720 C PHE A 45 4.188 3.252 8.566 1.00 6.34 C ATOM 721 O PHE A 45 4.487 4.427 8.318 1.00 5.45 O ATOM 722 CB PHE A 45 4.381 2.131 6.241 1.00 5.51 C ATOM 723 CG PHE A 45 5.749 1.692 6.557 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.973 0.407 7.077 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.845 2.508 6.336 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.276 -0.041 7.337 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.163 2.041 6.572 1.00 6.64 C ATOM 728 CZ PHE A 45 8.364 0.748 7.092 1.00 6.84 C ATOM 0 H PHE A 45 2.351 4.082 7.040 1.00 6.75 H new ATOM 0 HA PHE A 45 3.282 1.439 7.995 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.898 1.372 5.626 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.429 3.042 5.645 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.134 -0.242 7.279 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.694 3.516 5.978 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.423 -1.032 7.740 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.010 2.675 6.354 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.361 0.386 7.294 1.00 6.84 H new ATOM 738 N ALA A 46 4.540 2.777 9.790 1.00 6.53 N ATOM 739 CA ALA A 46 5.246 3.446 10.879 1.00 7.15 C ATOM 740 C ALA A 46 4.588 4.763 11.368 1.00 9.00 C ATOM 741 O ALA A 46 5.219 5.743 11.722 1.00 11.15 O ATOM 742 CB ALA A 46 6.741 3.681 10.524 1.00 8.99 C ATOM 0 H ALA A 46 4.306 1.819 10.049 1.00 6.53 H new ATOM 0 HA ALA A 46 5.177 2.755 11.719 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.238 4.181 11.355 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.225 2.723 10.335 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.810 4.304 9.633 1.00 8.99 H new ATOM 748 N GLY A 47 3.261 4.710 11.526 1.00 9.35 N ATOM 749 CA GLY A 47 2.408 5.852 11.830 1.00 11.68 C ATOM 750 C GLY A 47 2.136 6.795 10.656 1.00 11.14 C ATOM 751 O GLY A 47 1.511 7.882 10.850 1.00 13.93 O ATOM 0 H GLY A 47 2.738 3.838 11.442 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.454 5.482 12.206 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.868 6.424 12.635 1.00 11.68 H new ATOM 755 N LYS A 48 2.566 6.441 9.459 1.00 10.47 N ATOM 756 CA LYS A 48 2.543 7.434 8.368 1.00 8.82 C ATOM 757 C LYS A 48 1.642 6.908 7.298 1.00 7.68 C ATOM 758 O LYS A 48 1.811 5.801 6.813 1.00 6.47 O ATOM 759 CB LYS A 48 3.857 7.669 7.644 1.00 9.74 C ATOM 760 CG LYS A 48 4.972 7.869 8.630 1.00 14.14 C ATOM 761 CD LYS A 48 6.325 7.863 7.923 1.00 16.32 C ATOM 762 CE LYS A 48 7.542 7.908 8.830 1.00 20.04 C ATOM 763 NZ LYS A 48 8.749 7.733 8.124 1.00 23.92 N ATOM 0 H LYS A 48 2.923 5.519 9.210 1.00 10.47 H new ATOM 0 HA LYS A 48 2.246 8.364 8.852 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.081 6.819 7.000 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.772 8.544 6.999 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.835 8.814 9.155 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.945 7.080 9.382 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.388 6.967 7.306 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.366 8.718 7.248 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.566 8.864 9.353 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.454 7.131 9.590 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.548 7.772 8.788 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.741 6.809 7.646 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.850 8.488 7.416 1.00 23.92 H new ATOM 777 N GLN A 49 0.596 7.699 6.927 1.00 8.89 N ATOM 778 CA GLN A 49 -0.118 7.427 5.691 1.00 7.18 C ATOM 779 C GLN A 49 0.595 7.930 4.441 1.00 8.23 C ATOM 780 O GLN A 49 0.975 9.074 4.237 1.00 9.70 O ATOM 781 CB GLN A 49 -1.516 7.983 5.839 1.00 11.67 C ATOM 782 CG GLN A 49 -2.443 7.744 4.658 1.00 15.82 C ATOM 783 CD GLN A 49 -3.868 8.163 4.978 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.633 7.500 5.663 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.275 9.319 4.376 1.00 20.67 N ATOM 0 H GLN A 49 0.253 8.499 7.460 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.160 6.349 5.534 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.970 7.547 6.729 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.445 9.057 6.011 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.084 8.301 3.793 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.425 6.688 4.387 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.620 9.857 3.809 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.234 9.645 4.494 1.00 20.67 H new ATOM 794 N LEU A 50 0.831 6.941 3.580 1.00 6.51 N ATOM 795 CA LEU A 50 1.648 7.021 2.412 1.00 7.41 C ATOM 796 C LEU A 50 1.054 7.699 1.141 1.00 8.27 C ATOM 797 O LEU A 50 -0.020 7.345 0.685 1.00 8.34 O ATOM 798 CB LEU A 50 2.176 5.561 2.076 1.00 7.13 C ATOM 799 CG LEU A 50 2.702 4.728 3.249 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.021 3.338 2.766 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.025 5.317 3.843 1.00 9.11 C ATOM 0 H LEU A 50 0.423 6.014 3.704 1.00 6.51 H new ATOM 0 HA LEU A 50 2.445 7.714 2.680 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.365 5.007 1.603 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.974 5.650 1.338 1.00 7.13 H new ATOM 0 HG LEU A 50 1.928 4.731 4.016 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.396 2.741 3.597 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.119 2.876 2.365 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.780 3.389 1.985 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.361 4.694 4.672 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.793 5.338 3.070 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.844 6.330 4.201 1.00 9.11 H new ATOM 813 N GLU A 51 1.724 8.715 0.577 1.00 9.43 N ATOM 814 CA GLU A 51 1.207 9.515 -0.521 1.00 11.90 C ATOM 815 C GLU A 51 1.477 9.060 -1.893 1.00 11.49 C ATOM 816 O GLU A 51 2.547 8.627 -2.265 1.00 9.88 O ATOM 817 CB GLU A 51 1.566 10.954 -0.392 1.00 16.56 C ATOM 818 CG GLU A 51 1.206 11.590 0.992 1.00 26.06 C ATOM 819 CD GLU A 51 1.801 12.989 1.213 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.071 13.122 1.279 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.057 14.003 1.332 1.00 32.13 O ATOM 0 H GLU A 51 2.654 9.001 0.883 1.00 9.43 H new ATOM 0 HA GLU A 51 0.134 9.368 -0.396 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.637 11.065 -0.561 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.059 11.514 -1.178 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.121 11.650 1.081 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.555 10.929 1.785 1.00 26.06 H new ATOM 828 N ASP A 52 0.415 8.997 -2.696 1.00 12.71 N ATOM 829 CA ASP A 52 0.388 8.310 -3.986 1.00 16.56 C ATOM 830 C ASP A 52 1.503 8.423 -5.013 1.00 15.83 C ATOM 831 O ASP A 52 2.000 7.427 -5.588 1.00 17.21 O ATOM 832 CB ASP A 52 -0.904 8.757 -4.793 1.00 21.05 C ATOM 833 CG ASP A 52 -2.176 8.512 -4.022 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.472 7.322 -3.681 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.926 9.473 -3.740 1.00 25.82 O ATOM 0 H ASP A 52 -0.475 9.435 -2.460 1.00 12.71 H new ATOM 0 HA ASP A 52 0.465 7.289 -3.613 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.828 9.817 -5.037 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.945 8.215 -5.738 1.00 21.05 H new ATOM 840 N GLY A 53 1.936 9.675 -5.304 1.00 15.00 N ATOM 841 CA GLY A 53 2.954 10.015 -6.380 1.00 11.77 C ATOM 842 C GLY A 53 4.358 9.671 -5.929 1.00 11.10 C ATOM 843 O GLY A 53 5.201 9.750 -6.782 1.00 11.25 O ATOM 0 H GLY A 53 1.597 10.498 -4.805 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.718 9.470 -7.294 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.895 11.077 -6.618 1.00 11.77 H new ATOM 847 N ARG A 54 4.602 9.441 -4.599 1.00 8.53 N ATOM 848 CA ARG A 54 5.899 9.254 -4.106 1.00 9.05 C ATOM 849 C ARG A 54 6.221 7.739 -4.030 1.00 8.96 C ATOM 850 O ARG A 54 5.310 6.908 -4.135 1.00 11.60 O ATOM 851 CB ARG A 54 5.953 9.738 -2.654 1.00 7.97 C ATOM 852 CG ARG A 54 5.226 11.075 -2.396 1.00 9.62 C ATOM 853 CD ARG A 54 5.159 11.556 -0.990 1.00 12.20 C ATOM 854 NE ARG A 54 6.533 12.171 -0.693 1.00 18.23 N ATOM 855 CZ ARG A 54 6.764 12.792 0.493 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.794 12.831 1.429 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.931 13.311 0.703 1.00 23.38 N ATOM 0 H ARG A 54 3.872 9.391 -3.888 1.00 8.53 H new ATOM 0 HA ARG A 54 6.590 9.787 -4.758 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.516 8.972 -2.013 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.997 9.844 -2.358 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.715 11.845 -2.993 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.206 10.982 -2.769 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.366 12.293 -0.866 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.942 10.736 -0.306 1.00 12.20 H new ATOM 0 HE ARG A 54 7.276 12.113 -1.389 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.890 12.395 1.245 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.964 13.296 2.321 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.653 13.249 -0.014 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.128 13.782 1.586 1.00 23.38 H new ATOM 871 N THR A 55 7.504 7.392 -3.835 1.00 9.05 N ATOM 872 CA THR A 55 7.992 6.002 -3.891 1.00 9.03 C ATOM 873 C THR A 55 8.249 5.429 -2.521 1.00 8.15 C ATOM 874 O THR A 55 8.346 6.092 -1.539 1.00 5.91 O ATOM 875 CB THR A 55 9.316 5.871 -4.682 1.00 11.15 C ATOM 876 OG1 THR A 55 10.492 6.492 -4.100 1.00 11.95 O ATOM 877 CG2 THR A 55 9.164 6.482 -6.114 1.00 11.71 C ATOM 0 H THR A 55 8.237 8.072 -3.633 1.00 9.05 H new ATOM 0 HA THR A 55 7.194 5.453 -4.392 1.00 9.03 H new ATOM 0 HB THR A 55 9.486 4.794 -4.678 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.356 7.461 -4.042 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.105 6.380 -6.655 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.377 5.954 -6.653 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.904 7.537 -6.034 1.00 11.71 H new ATOM 885 N LEU A 56 8.420 4.080 -2.606 1.00 6.91 N ATOM 886 CA LEU A 56 8.814 3.283 -1.441 1.00 8.29 C ATOM 887 C LEU A 56 10.060 3.767 -0.769 1.00 8.05 C ATOM 888 O LEU A 56 10.099 3.830 0.453 1.00 10.17 O ATOM 889 CB LEU A 56 8.975 1.746 -1.802 1.00 6.60 C ATOM 890 CG LEU A 56 7.652 0.989 -1.874 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.769 1.470 -3.031 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.981 -0.480 -2.210 1.00 8.64 C ATOM 0 H LEU A 56 8.290 3.541 -3.462 1.00 6.91 H new ATOM 0 HA LEU A 56 7.994 3.408 -0.734 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.485 1.659 -2.761 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.614 1.272 -1.057 1.00 6.60 H new ATOM 0 HG LEU A 56 7.135 1.135 -0.925 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.839 0.901 -3.040 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.545 2.529 -2.902 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.294 1.322 -3.975 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.057 -1.055 -2.270 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.501 -0.527 -3.167 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.618 -0.898 -1.430 1.00 8.64 H new ATOM 904 N SER A 57 11.030 4.225 -1.585 1.00 8.92 N ATOM 905 CA SER A 57 12.327 4.806 -1.173 1.00 9.00 C ATOM 906 C SER A 57 12.232 6.078 -0.382 1.00 9.44 C ATOM 907 O SER A 57 13.049 6.352 0.475 1.00 10.91 O ATOM 908 CB SER A 57 13.291 5.031 -2.378 1.00 10.32 C ATOM 909 OG SER A 57 14.597 5.117 -1.856 1.00 13.59 O ATOM 0 H SER A 57 10.927 4.199 -2.599 1.00 8.92 H new ATOM 0 HA SER A 57 12.735 4.045 -0.508 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.215 4.210 -3.090 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.030 5.943 -2.914 1.00 10.32 H new ATOM 0 HG SER A 57 15.233 5.258 -2.588 1.00 13.59 H new ATOM 915 N ASP A 58 11.201 6.879 -0.701 1.00 9.11 N ATOM 916 CA ASP A 58 10.855 8.108 -0.050 1.00 7.91 C ATOM 917 C ASP A 58 10.252 7.826 1.296 1.00 9.12 C ATOM 918 O ASP A 58 9.944 8.775 2.011 1.00 8.61 O ATOM 919 CB ASP A 58 9.748 8.913 -0.846 1.00 8.41 C ATOM 920 CG ASP A 58 10.311 9.240 -2.217 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.249 10.099 -2.267 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.754 8.781 -3.269 1.00 11.70 O ATOM 0 H ASP A 58 10.565 6.654 -1.466 1.00 9.11 H new ATOM 0 HA ASP A 58 11.778 8.685 0.015 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.837 8.322 -0.938 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.483 9.826 -0.314 1.00 8.41 H new ATOM 927 N TYR A 59 9.991 6.550 1.681 1.00 7.97 N ATOM 928 CA TYR A 59 9.328 6.120 2.898 1.00 8.45 C ATOM 929 C TYR A 59 9.956 5.080 3.734 1.00 10.98 C ATOM 930 O TYR A 59 9.376 4.593 4.690 1.00 12.95 O ATOM 931 CB TYR A 59 7.924 5.719 2.616 1.00 7.94 C ATOM 932 CG TYR A 59 7.101 6.930 2.463 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.648 7.570 3.649 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.457 7.192 1.238 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.646 8.559 3.550 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.429 8.218 1.169 1.00 6.52 C ATOM 937 CZ TYR A 59 5.017 8.855 2.348 1.00 6.76 C ATOM 938 OH TYR A 59 3.958 9.763 2.436 1.00 7.63 O ATOM 0 H TYR A 59 10.263 5.758 1.099 1.00 7.97 H new ATOM 0 HA TYR A 59 9.409 7.019 3.509 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.880 5.117 1.709 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.538 5.102 3.428 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.064 7.304 4.610 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.726 6.633 0.354 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.359 9.103 4.438 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.988 8.486 0.220 1.00 6.52 H new ATOM 0 HH TYR A 59 4.076 10.469 1.767 1.00 7.63 H new ATOM 948 N ASN A 60 11.210 4.672 3.441 1.00 12.38 N ATOM 949 CA ASN A 60 12.009 3.656 4.203 1.00 13.94 C ATOM 950 C ASN A 60 11.331 2.273 4.177 1.00 14.16 C ATOM 951 O ASN A 60 11.367 1.537 5.119 1.00 14.26 O ATOM 952 CB ASN A 60 12.295 4.131 5.672 1.00 19.23 C ATOM 953 CG ASN A 60 13.093 5.443 5.617 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.029 5.526 4.837 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.769 6.380 6.541 1.00 24.09 N ATOM 0 H ASN A 60 11.722 5.047 2.642 1.00 12.38 H new ATOM 0 HA ASN A 60 12.972 3.556 3.702 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.359 4.280 6.210 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.856 3.369 6.213 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.325 7.231 6.621 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.969 6.234 7.157 1.00 24.09 H new ATOM 962 N ILE A 61 10.677 1.872 3.041 1.00 11.08 N ATOM 963 CA ILE A 61 9.975 0.618 2.862 1.00 11.78 C ATOM 964 C ILE A 61 10.924 -0.346 2.195 1.00 13.74 C ATOM 965 O ILE A 61 11.392 -0.172 1.063 1.00 14.60 O ATOM 966 CB ILE A 61 8.621 0.744 2.199 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.663 1.706 2.941 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.930 -0.660 2.031 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.560 2.401 2.118 1.00 11.42 C ATOM 0 H ILE A 61 10.641 2.459 2.208 1.00 11.08 H new ATOM 0 HA ILE A 61 9.693 0.219 3.836 1.00 11.78 H new ATOM 0 HB ILE A 61 8.819 1.172 1.216 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.180 1.146 3.742 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.267 2.481 3.413 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.959 -0.533 1.552 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.558 -1.303 1.414 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.793 -1.118 3.011 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.969 3.043 2.771 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.017 3.004 1.333 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.914 1.648 1.667 1.00 11.42 H new ATOM 981 N GLN A 62 11.369 -1.372 2.912 1.00 13.97 N ATOM 982 CA GLN A 62 12.355 -2.352 2.488 1.00 15.52 C ATOM 983 C GLN A 62 11.788 -3.707 2.558 1.00 13.94 C ATOM 984 O GLN A 62 10.734 -3.895 3.110 1.00 12.15 O ATOM 985 CB GLN A 62 13.589 -2.134 3.441 1.00 19.53 C ATOM 986 CG GLN A 62 14.374 -0.879 3.301 1.00 26.38 C ATOM 987 CD GLN A 62 15.539 -0.779 4.283 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.388 -1.230 5.420 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.636 -0.088 3.949 1.00 32.71 N ATOM 0 H GLN A 62 11.030 -1.550 3.858 1.00 13.97 H new ATOM 0 HA GLN A 62 12.663 -2.232 1.449 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.229 -2.188 4.469 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.272 -2.971 3.298 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.759 -0.812 2.284 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.711 -0.026 3.447 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.741 0.276 3.002 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.367 0.074 4.641 1.00 32.71 H new ATOM 998 N LYS A 63 12.497 -4.755 1.951 1.00 11.73 N ATOM 999 CA LYS A 63 12.116 -6.151 1.934 1.00 11.97 C ATOM 1000 C LYS A 63 11.490 -6.868 3.175 1.00 10.41 C ATOM 1001 O LYS A 63 11.994 -6.839 4.289 1.00 9.59 O ATOM 1002 CB LYS A 63 13.314 -7.077 1.465 1.00 13.73 C ATOM 1003 CG LYS A 63 14.367 -7.255 2.510 1.00 16.98 C ATOM 1004 CD LYS A 63 15.598 -7.976 1.995 1.00 20.19 C ATOM 1005 CE LYS A 63 16.543 -8.588 3.073 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.317 -7.516 3.796 1.00 25.97 N ATOM 0 H LYS A 63 13.374 -4.589 1.456 1.00 11.73 H new ATOM 0 HA LYS A 63 11.278 -6.045 1.245 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.921 -8.054 1.185 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.767 -6.648 0.571 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.659 -6.277 2.893 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.949 -7.814 3.347 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.272 -8.777 1.331 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.176 -7.277 1.391 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.956 -9.162 3.790 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.236 -9.283 2.599 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.937 -7.955 4.507 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.895 -6.985 3.114 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.654 -6.868 4.267 1.00 25.97 H new ATOM 1020 N GLU A 64 10.273 -7.509 3.012 1.00 10.04 N ATOM 1021 CA GLU A 64 9.644 -8.224 4.042 1.00 10.94 C ATOM 1022 C GLU A 64 9.325 -7.330 5.292 1.00 9.74 C ATOM 1023 O GLU A 64 9.628 -7.696 6.420 1.00 9.42 O ATOM 1024 CB GLU A 64 10.383 -9.539 4.345 1.00 18.31 C ATOM 1025 CG GLU A 64 10.670 -10.255 3.023 1.00 24.16 C ATOM 1026 CD GLU A 64 11.424 -11.599 3.110 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.156 -12.380 4.045 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.157 -11.915 2.135 1.00 31.72 O ATOM 0 H GLU A 64 9.752 -7.506 2.135 1.00 10.04 H new ATOM 0 HA GLU A 64 8.659 -8.529 3.690 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.314 -9.336 4.875 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.778 -10.172 4.994 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.720 -10.430 2.518 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.248 -9.581 2.390 1.00 24.16 H new ATOM 1035 N SER A 65 8.733 -6.164 4.963 1.00 6.85 N ATOM 1036 CA SER A 65 8.129 -5.268 5.854 1.00 6.90 C ATOM 1037 C SER A 65 6.685 -5.148 5.459 1.00 4.72 C ATOM 1038 O SER A 65 6.290 -5.369 4.347 1.00 3.91 O ATOM 1039 CB SER A 65 8.961 -3.970 5.763 1.00 7.28 C ATOM 1040 OG SER A 65 8.448 -2.890 6.547 1.00 10.56 O ATOM 0 H SER A 65 8.684 -5.842 3.996 1.00 6.85 H new ATOM 0 HA SER A 65 8.120 -5.574 6.900 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.982 -4.183 6.081 1.00 7.28 H new ATOM 0 HB3 SER A 65 9.011 -3.656 4.720 1.00 7.28 H new ATOM 0 HG SER A 65 8.234 -2.134 5.962 1.00 10.56 H new ATOM 1046 N THR A 66 5.876 -4.915 6.490 1.00 4.48 N ATOM 1047 CA THR A 66 4.454 -5.021 6.436 1.00 3.80 C ATOM 1048 C THR A 66 3.837 -3.630 6.366 1.00 4.60 C ATOM 1049 O THR A 66 4.211 -2.762 7.122 1.00 5.33 O ATOM 1050 CB THR A 66 3.775 -5.766 7.599 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.345 -7.080 7.706 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.251 -5.924 7.505 1.00 3.40 C ATOM 0 H THR A 66 6.223 -4.639 7.409 1.00 4.48 H new ATOM 0 HA THR A 66 4.275 -5.621 5.544 1.00 3.80 H new ATOM 0 HB THR A 66 3.957 -5.139 8.472 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.920 -7.562 8.446 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.887 -6.464 8.379 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.785 -4.939 7.466 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.998 -6.481 6.603 1.00 3.40 H new ATOM 1060 N LEU A 67 2.804 -3.391 5.466 1.00 4.17 N ATOM 1061 CA LEU A 67 2.145 -2.142 5.311 1.00 3.85 C ATOM 1062 C LEU A 67 0.732 -2.356 5.627 1.00 3.80 C ATOM 1063 O LEU A 67 0.106 -3.423 5.396 1.00 5.54 O ATOM 1064 CB LEU A 67 2.086 -1.629 3.809 1.00 7.18 C ATOM 1065 CG LEU A 67 3.427 -1.798 3.082 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.308 -1.155 1.698 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.650 -1.168 3.907 1.00 11.66 C ATOM 0 H LEU A 67 2.442 -4.113 4.843 1.00 4.17 H new ATOM 0 HA LEU A 67 2.688 -1.434 5.937 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.312 -2.176 3.271 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.799 -0.577 3.798 1.00 7.18 H new ATOM 0 HG LEU A 67 3.645 -2.862 2.985 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.252 -1.264 1.164 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.514 -1.646 1.136 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.074 -0.096 1.808 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.577 -1.313 3.351 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.478 -0.102 4.055 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.727 -1.661 4.876 1.00 11.66 H new ATOM 1079 N HIS A 68 0.073 -1.354 6.215 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.318 -1.467 6.665 1.00 4.17 C ATOM 1081 C HIS A 68 -2.169 -1.024 5.523 1.00 5.32 C ATOM 1082 O HIS A 68 -2.012 0.138 5.076 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.634 -0.530 7.875 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.810 -0.810 9.086 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.544 -0.721 9.041 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.043 -1.330 10.339 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.123 -1.163 10.218 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.159 -1.602 11.068 1.00 16.30 N ATOM 0 H HIS A 68 0.489 -0.440 6.393 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.503 -2.494 6.980 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.477 0.505 7.572 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.688 -0.629 8.134 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.069 -0.372 8.239 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.032 -1.514 10.732 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.182 -1.159 10.429 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.159 -1.920 5.053 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.169 -1.392 4.173 1.00 3.97 C ATOM 1098 C LEU A 69 -5.376 -1.120 4.991 1.00 5.07 C ATOM 1099 O LEU A 69 -5.932 -1.942 5.692 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.507 -2.454 3.071 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.948 -2.316 2.374 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.016 -1.034 1.518 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.116 -3.547 1.526 1.00 9.96 C ATOM 0 H LEU A 69 -3.228 -2.912 5.279 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.822 -0.481 3.686 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.744 -2.398 2.295 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.435 -3.446 3.517 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.747 -2.237 3.112 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.999 -0.958 1.054 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.846 -0.164 2.152 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.251 -1.073 0.742 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.082 -3.513 1.023 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.320 -3.588 0.782 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.067 -4.434 2.158 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.812 0.086 4.890 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.993 0.657 5.517 1.00 6.26 C ATOM 1117 C VAL A 70 -7.962 1.120 4.387 1.00 9.22 C ATOM 1118 O VAL A 70 -7.554 1.692 3.377 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.709 1.918 6.308 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.899 2.435 7.067 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.618 1.625 7.372 1.00 8.54 C ATOM 0 H VAL A 70 -5.320 0.774 4.320 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.388 -0.113 6.180 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.405 2.663 5.572 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.620 3.339 7.609 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.704 2.664 6.369 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.237 1.677 7.774 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.413 2.531 7.942 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.968 0.844 8.047 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.706 1.294 6.876 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.259 0.766 4.525 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.234 1.020 3.477 1.00 16.06 C ATOM 1133 C LEU A 71 -10.779 2.426 3.466 1.00 18.09 C ATOM 1134 O LEU A 71 -10.588 3.252 4.399 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.293 -0.071 3.339 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.744 -1.523 3.328 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.884 -2.484 2.931 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.667 -1.811 2.280 1.00 19.57 C ATOM 0 H LEU A 71 -9.639 0.307 5.353 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.663 0.956 2.551 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.002 0.027 4.161 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.849 0.098 2.417 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.329 -1.656 4.327 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.510 -3.508 2.920 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.697 -2.403 3.653 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.252 -2.222 1.939 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.353 -2.852 2.358 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.070 -1.627 1.284 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.810 -1.160 2.451 1.00 19.57 H new