USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 125:sc= 0.521 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.0139 (180deg=-0.0168) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.28 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0.0349 X(o=0.035,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc=-0.00227 (180deg=-0.081) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0.937 (180deg=0.836) 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= 0.022 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 25 ASN : amide:sc= -0.0715 K(o=-0.071,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0.243 (180deg=0.182) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.849 (180deg=0.848) USER MOD Single : A 31 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.017) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= -0.545 K(o=-0.55,f=-5.1!) 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=-0.37) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.071 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.523 K(o=0.52,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.762 -4.679 -4.643 1.00 0.78 N ATOM 2 CA MET A 1 12.576 -5.300 -3.312 1.00 0.70 C ATOM 3 C MET A 1 11.132 -5.606 -3.112 1.00 0.62 C ATOM 4 O MET A 1 10.237 -5.122 -3.805 1.00 0.68 O ATOM 5 CB MET A 1 13.012 -4.364 -2.171 1.00 0.75 C ATOM 6 CG MET A 1 12.061 -3.177 -2.013 1.00 0.79 C ATOM 7 SD MET A 1 12.560 -2.204 -0.560 1.00 1.10 S ATOM 8 CE MET A 1 11.312 -0.958 -0.993 1.00 0.84 C ATOM 0 H1 MET A 1 13.665 -4.164 -4.663 1.00 0.78 H new ATOM 0 H2 MET A 1 12.769 -5.419 -5.373 1.00 0.78 H new ATOM 0 H3 MET A 1 11.982 -4.017 -4.829 1.00 0.78 H new ATOM 0 HA MET A 1 13.190 -6.200 -3.286 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.052 -4.924 -1.237 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.020 -3.998 -2.366 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.084 -2.555 -2.908 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.036 -3.529 -1.896 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.323 -0.159 -0.252 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.537 -0.544 -1.976 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.326 -1.422 -1.011 1.00 0.84 H new ATOM 20 N GLN A 2 10.855 -6.566 -2.213 1.00 0.59 N ATOM 21 CA GLN A 2 9.566 -7.136 -1.966 1.00 0.56 C ATOM 22 C GLN A 2 8.951 -6.556 -0.740 1.00 0.50 C ATOM 23 O GLN A 2 9.637 -6.388 0.267 1.00 0.60 O ATOM 24 CB GLN A 2 9.729 -8.662 -1.856 1.00 0.71 C ATOM 25 CG GLN A 2 8.360 -9.251 -1.509 1.00 1.15 C ATOM 26 CD GLN A 2 8.488 -10.737 -1.211 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.972 -11.546 -2.002 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.033 -11.149 0.002 1.00 1.72 N ATOM 0 H GLN A 2 11.579 -6.971 -1.619 1.00 0.59 H new ATOM 0 HA GLN A 2 8.890 -6.904 -2.789 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.097 -9.076 -2.795 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.460 -8.914 -1.088 1.00 0.71 H new ATOM 0 HG2 GLN A 2 7.942 -8.734 -0.645 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.669 -9.097 -2.338 1.00 1.15 H new ATOM 0 HE21 GLN A 2 7.633 -10.473 0.653 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.092 -12.134 0.261 1.00 1.72 H new ATOM 37 N ILE A 3 7.697 -6.069 -0.758 1.00 0.44 N ATOM 38 CA ILE A 3 6.995 -5.565 0.381 1.00 0.42 C ATOM 39 C ILE A 3 5.692 -6.271 0.530 1.00 0.40 C ATOM 40 O ILE A 3 5.383 -7.134 -0.290 1.00 0.50 O ATOM 41 CB ILE A 3 6.587 -4.128 0.252 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.709 -3.748 -0.951 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.899 -3.338 0.394 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.085 -2.353 -0.973 1.00 0.72 C ATOM 0 H ILE A 3 7.144 -6.025 -1.614 1.00 0.44 H new ATOM 0 HA ILE A 3 7.689 -5.705 1.210 1.00 0.42 H new ATOM 0 HB ILE A 3 5.871 -3.873 1.033 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.312 -3.858 -1.852 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.901 -4.476 -1.017 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.692 -2.271 0.311 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.346 -3.547 1.366 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.590 -3.636 -0.395 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.495 -2.233 -1.882 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.441 -2.229 -0.103 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.874 -1.601 -0.950 1.00 0.72 H new ATOM 56 N PHE A 4 4.948 -6.002 1.618 1.00 0.37 N ATOM 57 CA PHE A 4 3.678 -6.598 1.891 1.00 0.38 C ATOM 58 C PHE A 4 2.526 -5.660 2.006 1.00 0.39 C ATOM 59 O PHE A 4 2.726 -4.565 2.528 1.00 0.60 O ATOM 60 CB PHE A 4 3.673 -7.559 3.092 1.00 0.45 C ATOM 61 CG PHE A 4 4.675 -8.660 3.020 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.617 -9.733 2.161 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.719 -8.600 3.913 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.546 -10.740 2.268 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.656 -9.601 4.011 1.00 1.40 C ATOM 66 CZ PHE A 4 6.568 -10.699 3.188 1.00 0.85 C ATOM 0 H PHE A 4 5.244 -5.342 2.337 1.00 0.37 H new ATOM 0 HA PHE A 4 3.525 -7.175 0.979 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.852 -6.983 4.000 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.679 -7.997 3.184 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.846 -9.784 1.407 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.806 -7.738 4.558 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.471 -11.592 1.608 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.457 -9.525 4.731 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.281 -11.507 3.262 1.00 0.85 H new ATOM 76 N VAL A 5 1.345 -6.034 1.483 1.00 0.35 N ATOM 77 CA VAL A 5 0.178 -5.245 1.730 1.00 0.35 C ATOM 78 C VAL A 5 -0.828 -6.176 2.314 1.00 0.35 C ATOM 79 O VAL A 5 -1.220 -7.203 1.764 1.00 0.46 O ATOM 80 CB VAL A 5 -0.391 -4.741 0.437 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.674 -3.945 0.726 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.612 -3.845 -0.309 1.00 0.56 C ATOM 0 H VAL A 5 1.198 -6.861 0.904 1.00 0.35 H new ATOM 0 HA VAL A 5 0.418 -4.400 2.376 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.612 -5.599 -0.197 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.092 -3.576 -0.211 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.401 -4.592 1.218 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.440 -3.102 1.376 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.166 -3.498 -1.241 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.866 -2.987 0.313 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.515 -4.414 -0.529 1.00 0.56 H new ATOM 92 N LYS A 6 -1.307 -5.932 3.548 1.00 0.36 N ATOM 93 CA LYS A 6 -2.282 -6.774 4.168 1.00 0.39 C ATOM 94 C LYS A 6 -3.664 -6.254 3.970 1.00 0.46 C ATOM 95 O LYS A 6 -3.961 -5.077 4.174 1.00 0.53 O ATOM 96 CB LYS A 6 -1.899 -6.758 5.657 1.00 0.54 C ATOM 97 CG LYS A 6 -2.746 -7.687 6.529 1.00 1.22 C ATOM 98 CD LYS A 6 -2.407 -7.403 7.994 1.00 1.37 C ATOM 99 CE LYS A 6 -3.005 -8.357 9.030 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.537 -9.743 8.802 1.00 2.09 N ATOM 0 H LYS A 6 -1.014 -5.141 4.122 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.286 -7.778 3.743 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.851 -7.041 5.755 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.991 -5.739 6.034 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.807 -7.520 6.344 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.541 -8.730 6.286 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.323 -7.418 8.102 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.737 -6.392 8.231 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.724 -8.034 10.033 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -4.093 -8.323 8.977 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.858 -10.351 9.583 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.926 -10.098 7.905 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.498 -9.756 8.758 1.00 2.09 H new ATOM 114 N THR A 7 -4.589 -7.089 3.463 1.00 0.58 N ATOM 115 CA THR A 7 -5.931 -6.719 3.141 1.00 0.78 C ATOM 116 C THR A 7 -6.743 -6.532 4.376 1.00 0.94 C ATOM 117 O THR A 7 -6.305 -6.589 5.525 1.00 0.99 O ATOM 118 CB THR A 7 -6.541 -7.655 2.140 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.787 -9.013 2.478 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.641 -7.655 0.894 1.00 0.92 C ATOM 0 H THR A 7 -4.390 -8.070 3.268 1.00 0.58 H new ATOM 0 HA THR A 7 -5.915 -5.748 2.645 1.00 0.78 H new ATOM 0 HB THR A 7 -7.546 -7.248 2.024 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.731 -9.223 2.321 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.058 -8.328 0.144 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.585 -6.646 0.485 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.641 -7.991 1.168 1.00 0.92 H new ATOM 128 N LEU A 8 -8.054 -6.420 4.100 1.00 1.17 N ATOM 129 CA LEU A 8 -9.005 -6.418 5.167 1.00 1.39 C ATOM 130 C LEU A 8 -9.414 -7.802 5.540 1.00 1.44 C ATOM 131 O LEU A 8 -9.669 -8.181 6.681 1.00 1.60 O ATOM 132 CB LEU A 8 -10.330 -5.707 4.838 1.00 1.66 C ATOM 133 CG LEU A 8 -10.166 -4.194 4.615 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.448 -3.574 4.032 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.835 -3.461 5.926 1.00 2.43 C ATOM 0 H LEU A 8 -8.449 -6.333 3.163 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.478 -5.893 5.964 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.763 -6.155 3.943 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.036 -5.873 5.652 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.342 -4.076 3.912 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.301 -2.504 3.886 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.676 -4.043 3.075 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.276 -3.735 4.722 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.726 -2.394 5.729 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.640 -3.617 6.644 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.903 -3.851 6.336 1.00 2.43 H new ATOM 147 N THR A 9 -9.557 -8.644 4.502 1.00 1.41 N ATOM 148 CA THR A 9 -10.017 -9.997 4.563 1.00 1.51 C ATOM 149 C THR A 9 -9.088 -10.892 5.310 1.00 1.37 C ATOM 150 O THR A 9 -9.443 -11.909 5.903 1.00 1.62 O ATOM 151 CB THR A 9 -10.414 -10.590 3.244 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.305 -10.615 2.357 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.551 -9.742 2.651 1.00 2.08 C ATOM 0 H THR A 9 -9.334 -8.357 3.549 1.00 1.41 H new ATOM 0 HA THR A 9 -10.942 -9.929 5.136 1.00 1.51 H new ATOM 0 HB THR A 9 -10.752 -11.616 3.388 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.579 -11.006 1.501 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.853 -10.159 1.690 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.402 -9.747 3.332 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.205 -8.718 2.509 1.00 2.08 H new ATOM 161 N GLY A 10 -7.784 -10.565 5.336 1.00 1.18 N ATOM 162 CA GLY A 10 -6.742 -11.261 6.027 1.00 1.22 C ATOM 163 C GLY A 10 -5.678 -11.943 5.237 1.00 0.99 C ATOM 164 O GLY A 10 -4.992 -12.853 5.700 1.00 1.31 O ATOM 0 H GLY A 10 -7.431 -9.750 4.834 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.253 -10.547 6.689 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.213 -12.012 6.661 1.00 1.22 H new ATOM 168 N LYS A 11 -5.532 -11.438 3.999 1.00 0.73 N ATOM 169 CA LYS A 11 -4.649 -11.976 3.013 1.00 0.60 C ATOM 170 C LYS A 11 -3.531 -10.998 2.900 1.00 0.51 C ATOM 171 O LYS A 11 -3.725 -9.783 2.908 1.00 0.63 O ATOM 172 CB LYS A 11 -5.319 -12.139 1.639 1.00 0.75 C ATOM 173 CG LYS A 11 -4.313 -12.329 0.501 1.00 0.87 C ATOM 174 CD LYS A 11 -5.073 -12.464 -0.820 1.00 1.04 C ATOM 175 CE LYS A 11 -3.926 -12.238 -1.807 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.532 -12.061 -3.146 1.00 1.40 N ATOM 0 H LYS A 11 -6.050 -10.622 3.673 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.323 -12.972 3.313 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.992 -12.996 1.669 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.931 -11.261 1.433 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.630 -11.481 0.457 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.707 -13.217 0.679 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.537 -13.444 -0.936 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.865 -11.722 -0.924 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.345 -11.359 -1.528 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.242 -13.086 -1.803 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.780 -11.938 -3.854 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.098 -12.900 -3.385 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.144 -11.220 -3.142 1.00 1.40 H new ATOM 190 N THR A 12 -2.284 -11.495 2.796 1.00 0.49 N ATOM 191 CA THR A 12 -1.054 -10.788 2.621 1.00 0.48 C ATOM 192 C THR A 12 -0.772 -10.707 1.160 1.00 0.52 C ATOM 193 O THR A 12 -0.446 -11.699 0.511 1.00 0.72 O ATOM 194 CB THR A 12 0.102 -11.482 3.279 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.390 -12.033 4.492 1.00 0.77 O ATOM 196 CG2 THR A 12 1.281 -10.539 3.573 1.00 0.78 C ATOM 0 H THR A 12 -2.125 -12.502 2.840 1.00 0.49 H new ATOM 0 HA THR A 12 -1.162 -9.804 3.078 1.00 0.48 H new ATOM 0 HB THR A 12 0.491 -12.246 2.605 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.335 -12.500 4.957 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.086 -11.100 4.049 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.642 -10.107 2.640 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.952 -9.741 4.239 1.00 0.78 H new ATOM 204 N ILE A 13 -0.827 -9.543 0.489 1.00 0.48 N ATOM 205 CA ILE A 13 -0.572 -9.464 -0.916 1.00 0.55 C ATOM 206 C ILE A 13 0.895 -9.227 -1.031 1.00 0.51 C ATOM 207 O ILE A 13 1.431 -8.414 -0.279 1.00 0.56 O ATOM 208 CB ILE A 13 -1.229 -8.385 -1.724 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.615 -7.961 -1.209 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.313 -8.737 -3.219 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.023 -6.588 -1.742 1.00 1.55 C ATOM 0 H ILE A 13 -1.050 -8.648 0.925 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.984 -10.386 -1.326 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.569 -7.527 -1.599 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.356 -8.702 -1.508 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.607 -7.940 -0.119 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.797 -7.922 -3.758 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -0.308 -8.887 -3.614 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.893 -9.651 -3.346 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.008 -6.325 -1.355 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.296 -5.842 -1.421 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.057 -6.616 -2.831 1.00 1.55 H new ATOM 223 N THR A 14 1.629 -9.881 -1.950 1.00 0.55 N ATOM 224 CA THR A 14 3.040 -9.770 -2.150 1.00 0.54 C ATOM 225 C THR A 14 3.331 -8.873 -3.303 1.00 0.55 C ATOM 226 O THR A 14 2.796 -9.098 -4.386 1.00 0.72 O ATOM 227 CB THR A 14 3.689 -11.120 -2.247 1.00 0.67 C ATOM 228 OG1 THR A 14 3.531 -11.910 -1.078 1.00 1.08 O ATOM 229 CG2 THR A 14 5.210 -10.959 -2.408 1.00 1.03 C ATOM 0 H THR A 14 1.201 -10.538 -2.602 1.00 0.55 H new ATOM 0 HA THR A 14 3.490 -9.301 -1.275 1.00 0.54 H new ATOM 0 HB THR A 14 3.207 -11.605 -3.096 1.00 0.67 H new ATOM 0 HG1 THR A 14 3.973 -12.775 -1.206 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.675 -11.943 -2.478 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.422 -10.392 -3.315 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.613 -10.428 -1.546 1.00 1.03 H new ATOM 237 N LEU A 15 4.214 -7.867 -3.158 1.00 0.50 N ATOM 238 CA LEU A 15 4.424 -6.957 -4.239 1.00 0.55 C ATOM 239 C LEU A 15 5.867 -6.781 -4.570 1.00 0.52 C ATOM 240 O LEU A 15 6.710 -6.974 -3.695 1.00 0.58 O ATOM 241 CB LEU A 15 3.848 -5.554 -3.977 1.00 0.69 C ATOM 242 CG LEU A 15 2.361 -5.451 -3.600 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.129 -3.939 -3.436 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.477 -5.986 -4.739 1.00 1.55 C ATOM 0 H LEU A 15 4.766 -7.687 -2.319 1.00 0.50 H new ATOM 0 HA LEU A 15 3.896 -7.421 -5.072 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.429 -5.097 -3.176 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.010 -4.953 -4.872 1.00 0.69 H new ATOM 0 HG LEU A 15 2.116 -6.027 -2.708 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.089 -3.758 -3.165 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.781 -3.554 -2.652 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.352 -3.433 -4.375 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.428 -5.905 -4.454 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.654 -5.402 -5.642 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.722 -7.031 -4.929 1.00 1.55 H new ATOM 256 N GLU A 16 6.357 -6.397 -5.762 1.00 0.59 N ATOM 257 CA GLU A 16 7.699 -6.078 -6.137 1.00 0.63 C ATOM 258 C GLU A 16 7.681 -4.639 -6.523 1.00 0.65 C ATOM 259 O GLU A 16 7.214 -4.184 -7.567 1.00 0.81 O ATOM 260 CB GLU A 16 8.193 -6.855 -7.370 1.00 0.76 C ATOM 261 CG GLU A 16 7.986 -8.363 -7.220 1.00 1.41 C ATOM 262 CD GLU A 16 8.497 -8.959 -8.523 1.00 1.52 C ATOM 263 OE1 GLU A 16 7.731 -9.123 -9.511 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.694 -9.352 -8.570 1.00 1.95 O ATOM 0 H GLU A 16 5.729 -6.299 -6.560 1.00 0.59 H new ATOM 0 HA GLU A 16 8.357 -6.326 -5.304 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.664 -6.503 -8.256 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.252 -6.649 -7.528 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.536 -8.754 -6.364 1.00 1.41 H new ATOM 0 HG3 GLU A 16 6.935 -8.604 -7.061 1.00 1.41 H new ATOM 271 N VAL A 17 8.377 -3.896 -5.644 1.00 0.61 N ATOM 272 CA VAL A 17 8.545 -2.478 -5.703 1.00 0.63 C ATOM 273 C VAL A 17 9.981 -2.081 -5.657 1.00 0.65 C ATOM 274 O VAL A 17 10.858 -2.778 -5.150 1.00 0.76 O ATOM 275 CB VAL A 17 7.927 -1.798 -4.518 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.404 -1.994 -4.600 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.440 -2.271 -3.148 1.00 0.92 C ATOM 0 H VAL A 17 8.851 -4.313 -4.843 1.00 0.61 H new ATOM 0 HA VAL A 17 8.074 -2.182 -6.640 1.00 0.63 H new ATOM 0 HB VAL A 17 8.216 -0.748 -4.574 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.928 -1.508 -3.748 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.030 -1.554 -5.524 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.173 -3.059 -4.586 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.931 -1.718 -2.358 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.240 -3.336 -3.032 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.513 -2.094 -3.081 1.00 0.92 H new ATOM 287 N GLU A 18 10.416 -0.915 -6.166 1.00 0.68 N ATOM 288 CA GLU A 18 11.707 -0.367 -5.881 1.00 0.74 C ATOM 289 C GLU A 18 11.574 0.741 -4.894 1.00 0.71 C ATOM 290 O GLU A 18 10.481 1.284 -4.738 1.00 0.74 O ATOM 291 CB GLU A 18 12.446 0.111 -7.141 1.00 0.88 C ATOM 292 CG GLU A 18 12.755 -0.998 -8.149 1.00 1.16 C ATOM 293 CD GLU A 18 13.384 -2.247 -7.548 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.524 -2.112 -7.030 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.766 -3.345 -7.516 1.00 2.35 O ATOM 0 H GLU A 18 9.856 -0.337 -6.793 1.00 0.68 H new ATOM 0 HA GLU A 18 12.315 -1.166 -5.457 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.844 0.875 -7.633 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.381 0.585 -6.842 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.831 -1.280 -8.653 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.425 -0.601 -8.911 1.00 1.16 H new ATOM 302 N PRO A 19 12.503 1.226 -4.126 1.00 0.74 N ATOM 303 CA PRO A 19 12.249 2.166 -3.073 1.00 0.74 C ATOM 304 C PRO A 19 11.806 3.519 -3.515 1.00 0.70 C ATOM 305 O PRO A 19 11.204 4.280 -2.760 1.00 0.74 O ATOM 306 CB PRO A 19 13.553 2.297 -2.289 1.00 0.86 C ATOM 307 CG PRO A 19 14.570 1.472 -3.093 1.00 0.95 C ATOM 308 CD PRO A 19 13.722 0.466 -3.890 1.00 0.82 C ATOM 0 HA PRO A 19 11.415 1.782 -2.485 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.864 3.339 -2.206 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.446 1.915 -1.274 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.157 2.107 -3.757 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.273 0.962 -2.435 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.206 0.170 -4.821 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.532 -0.447 -3.325 1.00 0.82 H new ATOM 316 N SER A 20 12.123 3.807 -4.791 1.00 0.70 N ATOM 317 CA SER A 20 11.761 4.978 -5.527 1.00 0.74 C ATOM 318 C SER A 20 10.409 4.859 -6.141 1.00 0.71 C ATOM 319 O SER A 20 9.975 5.713 -6.913 1.00 0.80 O ATOM 320 CB SER A 20 12.701 5.225 -6.718 1.00 0.89 C ATOM 321 OG SER A 20 13.021 4.059 -7.461 1.00 1.45 O ATOM 0 H SER A 20 12.680 3.164 -5.353 1.00 0.70 H new ATOM 0 HA SER A 20 11.808 5.783 -4.794 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.239 5.952 -7.386 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.625 5.672 -6.350 1.00 0.89 H new ATOM 0 HG SER A 20 13.619 4.296 -8.200 1.00 1.45 H new ATOM 327 N ASP A 21 9.602 3.804 -5.932 1.00 0.70 N ATOM 328 CA ASP A 21 8.229 3.676 -6.313 1.00 0.73 C ATOM 329 C ASP A 21 7.446 4.502 -5.351 1.00 0.64 C ATOM 330 O ASP A 21 7.763 4.535 -4.163 1.00 0.66 O ATOM 331 CB ASP A 21 7.762 2.211 -6.311 1.00 0.87 C ATOM 332 CG ASP A 21 7.944 1.606 -7.696 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.106 2.265 -8.757 1.00 1.50 O ATOM 334 OD2 ASP A 21 7.921 0.347 -7.733 1.00 1.69 O ATOM 0 H ASP A 21 9.941 2.969 -5.455 1.00 0.70 H new ATOM 0 HA ASP A 21 8.083 4.022 -7.336 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.331 1.640 -5.578 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.714 2.155 -6.015 1.00 0.87 H new ATOM 339 N THR A 22 6.463 5.216 -5.925 1.00 0.63 N ATOM 340 CA THR A 22 5.563 6.106 -5.260 1.00 0.58 C ATOM 341 C THR A 22 4.405 5.310 -4.769 1.00 0.53 C ATOM 342 O THR A 22 4.121 4.222 -5.266 1.00 0.58 O ATOM 343 CB THR A 22 4.997 7.192 -6.127 1.00 0.63 C ATOM 344 OG1 THR A 22 4.307 6.737 -7.281 1.00 0.70 O ATOM 345 CG2 THR A 22 6.171 8.113 -6.496 1.00 0.75 C ATOM 0 H THR A 22 6.285 5.167 -6.928 1.00 0.63 H new ATOM 0 HA THR A 22 6.144 6.585 -4.472 1.00 0.58 H new ATOM 0 HB THR A 22 4.224 7.717 -5.566 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.971 7.507 -7.786 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.812 8.924 -7.129 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.607 8.528 -5.587 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.927 7.541 -7.033 1.00 0.75 H new ATOM 353 N ILE A 23 3.661 5.839 -3.780 1.00 0.51 N ATOM 354 CA ILE A 23 2.489 5.223 -3.239 1.00 0.48 C ATOM 355 C ILE A 23 1.471 5.051 -4.313 1.00 0.48 C ATOM 356 O ILE A 23 0.865 3.982 -4.390 1.00 0.51 O ATOM 357 CB ILE A 23 2.079 5.949 -1.993 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.194 5.858 -0.937 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.738 5.450 -1.428 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.311 4.541 -0.172 1.00 0.73 C ATOM 0 H ILE A 23 3.885 6.731 -3.340 1.00 0.51 H new ATOM 0 HA ILE A 23 2.664 4.203 -2.897 1.00 0.48 H new ATOM 0 HB ILE A 23 1.927 6.994 -2.261 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.146 6.050 -1.431 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.043 6.659 -0.213 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.492 6.011 -0.527 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.046 5.594 -2.171 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.817 4.390 -1.185 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.133 4.606 0.541 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.381 4.347 0.363 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.502 3.729 -0.873 1.00 0.73 H new ATOM 372 N GLU A 24 1.365 6.018 -5.241 1.00 0.50 N ATOM 373 CA GLU A 24 0.697 5.922 -6.502 1.00 0.53 C ATOM 374 C GLU A 24 1.039 4.685 -7.260 1.00 0.50 C ATOM 375 O GLU A 24 0.115 3.948 -7.599 1.00 0.55 O ATOM 376 CB GLU A 24 0.741 7.246 -7.284 1.00 0.64 C ATOM 377 CG GLU A 24 -0.303 7.262 -8.402 1.00 0.95 C ATOM 378 CD GLU A 24 -0.214 8.504 -9.279 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.906 8.853 -9.736 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.280 9.152 -9.457 1.00 1.62 O ATOM 0 H GLU A 24 1.779 6.939 -5.097 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.365 5.779 -6.304 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.563 8.079 -6.604 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.735 7.388 -7.709 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.176 6.375 -9.023 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.299 7.204 -7.963 1.00 0.95 H new ATOM 387 N ASN A 25 2.350 4.423 -7.402 1.00 0.51 N ATOM 388 CA ASN A 25 2.842 3.280 -8.107 1.00 0.52 C ATOM 389 C ASN A 25 2.522 2.041 -7.343 1.00 0.47 C ATOM 390 O ASN A 25 2.181 1.064 -8.007 1.00 0.53 O ATOM 391 CB ASN A 25 4.323 3.391 -8.505 1.00 0.64 C ATOM 392 CG ASN A 25 4.544 4.461 -9.564 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.604 4.856 -10.252 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.829 4.777 -9.879 1.00 1.57 N ATOM 0 H ASN A 25 3.085 5.018 -7.019 1.00 0.51 H new ATOM 0 HA ASN A 25 2.323 3.229 -9.064 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.920 3.623 -7.623 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.671 2.429 -8.882 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.027 5.351 -10.698 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.595 4.440 -9.296 1.00 1.57 H new ATOM 401 N VAL A 26 2.489 2.054 -5.998 1.00 0.45 N ATOM 402 CA VAL A 26 2.096 0.946 -5.184 1.00 0.44 C ATOM 403 C VAL A 26 0.651 0.604 -5.311 1.00 0.40 C ATOM 404 O VAL A 26 0.302 -0.557 -5.521 1.00 0.44 O ATOM 405 CB VAL A 26 2.544 1.148 -3.767 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.101 -0.118 -3.013 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.078 1.239 -3.689 1.00 0.62 C ATOM 0 H VAL A 26 2.749 2.876 -5.453 1.00 0.45 H new ATOM 0 HA VAL A 26 2.611 0.062 -5.561 1.00 0.44 H new ATOM 0 HB VAL A 26 2.125 2.066 -3.354 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.396 -0.040 -1.967 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.018 -0.220 -3.078 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.575 -0.992 -3.460 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.382 1.386 -2.652 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.517 0.316 -4.069 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.424 2.080 -4.291 1.00 0.62 H new ATOM 417 N LYS A 27 -0.206 1.636 -5.410 1.00 0.40 N ATOM 418 CA LYS A 27 -1.589 1.489 -5.749 1.00 0.41 C ATOM 419 C LYS A 27 -1.793 0.898 -7.101 1.00 0.38 C ATOM 420 O LYS A 27 -2.720 0.131 -7.356 1.00 0.42 O ATOM 421 CB LYS A 27 -2.383 2.805 -5.706 1.00 0.51 C ATOM 422 CG LYS A 27 -2.416 3.364 -4.282 1.00 0.76 C ATOM 423 CD LYS A 27 -3.419 4.501 -4.078 1.00 0.82 C ATOM 424 CE LYS A 27 -3.215 5.083 -2.679 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.154 6.174 -2.330 1.00 1.11 N ATOM 0 H LYS A 27 0.072 2.604 -5.249 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.964 0.815 -4.978 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.929 3.533 -6.378 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.400 2.635 -6.060 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.655 2.555 -3.592 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.420 3.722 -4.021 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.275 5.273 -4.834 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.438 4.131 -4.190 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.318 4.282 -1.947 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.195 5.458 -2.599 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.666 6.875 -1.737 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.493 6.632 -3.200 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.963 5.782 -1.808 1.00 1.11 H new ATOM 439 N ALA A 28 -0.967 1.268 -8.095 1.00 0.39 N ATOM 440 CA ALA A 28 -1.099 0.728 -9.413 1.00 0.39 C ATOM 441 C ALA A 28 -0.592 -0.667 -9.542 1.00 0.36 C ATOM 442 O ALA A 28 -0.989 -1.575 -10.269 1.00 0.42 O ATOM 443 CB ALA A 28 -0.306 1.626 -10.379 1.00 0.51 C ATOM 0 H ALA A 28 -0.208 1.941 -7.987 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.164 0.700 -9.646 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.391 1.234 -11.393 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.707 2.639 -10.346 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.743 1.642 -10.083 1.00 0.51 H new ATOM 449 N LYS A 29 0.359 -1.024 -8.659 1.00 0.39 N ATOM 450 CA LYS A 29 0.843 -2.362 -8.514 1.00 0.43 C ATOM 451 C LYS A 29 -0.161 -3.241 -7.849 1.00 0.44 C ATOM 452 O LYS A 29 -0.364 -4.379 -8.268 1.00 0.54 O ATOM 453 CB LYS A 29 2.219 -2.452 -7.832 1.00 0.54 C ATOM 454 CG LYS A 29 3.352 -1.740 -8.574 1.00 0.65 C ATOM 455 CD LYS A 29 4.401 -2.684 -9.164 1.00 1.08 C ATOM 456 CE LYS A 29 5.597 -1.898 -9.707 1.00 1.24 C ATOM 457 NZ LYS A 29 6.654 -2.855 -10.102 1.00 1.44 N ATOM 0 H LYS A 29 0.805 -0.360 -8.026 1.00 0.39 H new ATOM 0 HA LYS A 29 0.994 -2.732 -9.528 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.140 -2.032 -6.829 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.483 -3.503 -7.717 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.925 -1.140 -9.378 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.844 -1.050 -7.888 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.737 -3.384 -8.399 1.00 1.08 H new ATOM 0 HD3 LYS A 29 3.955 -3.275 -9.964 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.295 -1.294 -10.563 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.973 -1.211 -8.949 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.467 -2.334 -10.489 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.957 -3.401 -9.270 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.282 -3.504 -10.825 1.00 1.44 H new ATOM 471 N ILE A 30 -0.963 -2.719 -6.904 1.00 0.41 N ATOM 472 CA ILE A 30 -2.083 -3.385 -6.313 1.00 0.44 C ATOM 473 C ILE A 30 -3.122 -3.625 -7.354 1.00 0.45 C ATOM 474 O ILE A 30 -3.736 -4.686 -7.454 1.00 0.56 O ATOM 475 CB ILE A 30 -2.562 -2.757 -5.038 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.466 -2.933 -3.974 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.896 -3.380 -4.595 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.840 -2.046 -2.787 1.00 1.32 C ATOM 0 H ILE A 30 -0.822 -1.780 -6.532 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.766 -4.366 -5.958 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.749 -1.693 -5.185 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.393 -3.976 -3.666 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.493 -2.650 -4.374 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.227 -2.911 -3.668 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.646 -3.222 -5.370 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.762 -4.449 -4.433 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.084 -2.143 -2.008 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.895 -1.007 -3.112 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.809 -2.354 -2.393 1.00 1.32 H new ATOM 490 N GLN A 31 -3.509 -2.630 -8.171 1.00 0.41 N ATOM 491 CA GLN A 31 -4.450 -2.756 -9.239 1.00 0.48 C ATOM 492 C GLN A 31 -4.073 -3.798 -10.236 1.00 0.52 C ATOM 493 O GLN A 31 -4.881 -4.622 -10.660 1.00 0.66 O ATOM 494 CB GLN A 31 -4.634 -1.436 -10.007 1.00 0.52 C ATOM 495 CG GLN A 31 -5.770 -1.556 -11.024 1.00 0.70 C ATOM 496 CD GLN A 31 -6.096 -0.200 -11.634 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.257 0.192 -11.528 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.049 0.455 -12.204 1.00 1.43 N ATOM 0 H GLN A 31 -3.143 -1.682 -8.080 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.378 -3.046 -8.746 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.850 -0.629 -9.307 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.708 -1.175 -10.518 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.487 -2.255 -11.811 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.657 -1.964 -10.539 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.127 0.019 -12.229 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.186 1.382 -12.606 1.00 1.43 H new ATOM 507 N ASP A 32 -2.784 -3.856 -10.618 1.00 0.50 N ATOM 508 CA ASP A 32 -2.317 -5.001 -11.336 1.00 0.60 C ATOM 509 C ASP A 32 -2.557 -6.335 -10.716 1.00 0.65 C ATOM 510 O ASP A 32 -2.991 -7.341 -11.276 1.00 0.81 O ATOM 511 CB ASP A 32 -0.810 -4.829 -11.584 1.00 0.67 C ATOM 512 CG ASP A 32 -0.242 -5.684 -12.708 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.586 -5.294 -13.856 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.557 -6.637 -12.509 1.00 1.55 O ATOM 0 H ASP A 32 -2.085 -3.135 -10.437 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.912 -5.022 -12.249 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.611 -3.781 -11.809 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.276 -5.064 -10.663 1.00 0.67 H new ATOM 519 N LYS A 33 -2.215 -6.362 -9.415 1.00 0.62 N ATOM 520 CA LYS A 33 -2.198 -7.579 -8.664 1.00 0.73 C ATOM 521 C LYS A 33 -3.551 -8.109 -8.331 1.00 0.69 C ATOM 522 O LYS A 33 -3.950 -9.243 -8.594 1.00 0.83 O ATOM 523 CB LYS A 33 -1.187 -7.442 -7.514 1.00 0.85 C ATOM 524 CG LYS A 33 -0.991 -8.668 -6.619 1.00 1.31 C ATOM 525 CD LYS A 33 -0.120 -9.729 -7.292 1.00 1.71 C ATOM 526 CE LYS A 33 1.352 -9.313 -7.354 1.00 2.26 C ATOM 527 NZ LYS A 33 2.275 -10.421 -7.683 1.00 2.62 N ATOM 0 H LYS A 33 -1.949 -5.535 -8.881 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.832 -8.395 -9.287 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.220 -7.175 -7.941 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.499 -6.608 -6.885 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.531 -8.362 -5.680 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.962 -9.098 -6.373 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.208 -10.669 -6.746 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.487 -9.911 -8.302 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.466 -8.525 -8.099 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.640 -8.887 -6.393 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.251 -10.064 -7.707 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.196 -11.165 -6.960 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.027 -10.814 -8.613 1.00 2.62 H new ATOM 541 N GLU A 34 -4.404 -7.273 -7.714 1.00 0.63 N ATOM 542 CA GLU A 34 -5.642 -7.780 -7.208 1.00 0.67 C ATOM 543 C GLU A 34 -6.778 -7.235 -8.002 1.00 0.69 C ATOM 544 O GLU A 34 -7.806 -7.893 -8.155 1.00 0.95 O ATOM 545 CB GLU A 34 -5.835 -7.325 -5.752 1.00 0.73 C ATOM 546 CG GLU A 34 -4.794 -7.775 -4.723 1.00 0.83 C ATOM 547 CD GLU A 34 -4.707 -9.289 -4.593 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.507 -9.825 -3.781 1.00 1.48 O ATOM 549 OE2 GLU A 34 -3.869 -9.934 -5.276 1.00 1.37 O ATOM 0 H GLU A 34 -4.246 -6.276 -7.568 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.618 -8.868 -7.272 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.867 -6.236 -5.742 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.811 -7.676 -5.417 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.817 -7.383 -5.006 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.041 -7.345 -3.752 1.00 0.83 H new ATOM 556 N GLY A 35 -6.593 -6.014 -8.534 1.00 0.63 N ATOM 557 CA GLY A 35 -7.548 -5.299 -9.321 1.00 0.68 C ATOM 558 C GLY A 35 -8.359 -4.318 -8.548 1.00 0.76 C ATOM 559 O GLY A 35 -9.529 -4.094 -8.856 1.00 1.12 O ATOM 0 H GLY A 35 -5.724 -5.496 -8.406 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.024 -4.773 -10.119 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.219 -6.014 -9.797 1.00 0.68 H new ATOM 563 N ILE A 36 -7.713 -3.634 -7.586 1.00 0.70 N ATOM 564 CA ILE A 36 -8.394 -2.660 -6.791 1.00 0.76 C ATOM 565 C ILE A 36 -8.177 -1.274 -7.294 1.00 0.71 C ATOM 566 O ILE A 36 -7.022 -1.025 -7.635 1.00 0.73 O ATOM 567 CB ILE A 36 -7.949 -2.752 -5.362 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.131 -4.198 -4.873 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.877 -1.791 -4.600 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.402 -4.466 -3.557 1.00 1.16 C ATOM 0 H ILE A 36 -6.726 -3.754 -7.360 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.460 -2.877 -6.860 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.901 -2.490 -5.219 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.194 -4.404 -4.745 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.763 -4.885 -5.635 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.618 -1.798 -3.541 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.760 -0.782 -4.996 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.912 -2.111 -4.722 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.563 -5.501 -3.256 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.335 -4.288 -3.690 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.788 -3.800 -2.785 1.00 1.16 H new ATOM 582 N PRO A 37 -9.112 -0.399 -7.514 1.00 0.75 N ATOM 583 CA PRO A 37 -8.831 0.866 -8.128 1.00 0.79 C ATOM 584 C PRO A 37 -7.976 1.756 -7.291 1.00 0.75 C ATOM 585 O PRO A 37 -7.980 1.460 -6.098 1.00 0.75 O ATOM 586 CB PRO A 37 -10.216 1.478 -8.322 1.00 0.95 C ATOM 587 CG PRO A 37 -11.057 0.258 -8.733 1.00 1.02 C ATOM 588 CD PRO A 37 -10.461 -0.839 -7.837 1.00 0.85 C ATOM 0 HA PRO A 37 -8.264 0.742 -9.051 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.589 1.940 -7.408 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.216 2.250 -9.092 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.120 0.410 -8.544 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.952 0.025 -9.793 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.056 -0.971 -6.933 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.446 -1.799 -8.352 1.00 0.85 H new ATOM 596 N PRO A 38 -7.176 2.711 -7.663 1.00 0.81 N ATOM 597 CA PRO A 38 -6.389 3.435 -6.710 1.00 0.85 C ATOM 598 C PRO A 38 -7.139 4.271 -5.731 1.00 0.89 C ATOM 599 O PRO A 38 -6.628 4.733 -4.713 1.00 0.99 O ATOM 600 CB PRO A 38 -5.543 4.331 -7.612 1.00 1.01 C ATOM 601 CG PRO A 38 -5.324 3.487 -8.878 1.00 1.25 C ATOM 602 CD PRO A 38 -6.622 2.676 -9.009 1.00 0.98 C ATOM 0 HA PRO A 38 -5.851 2.742 -6.064 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.056 5.266 -7.840 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.597 4.593 -7.139 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.155 4.115 -9.753 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.455 2.837 -8.780 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.302 3.120 -9.736 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.427 1.655 -9.337 1.00 0.98 H new ATOM 610 N ASP A 39 -8.376 4.674 -6.075 1.00 0.96 N ATOM 611 CA ASP A 39 -9.205 5.445 -5.201 1.00 1.11 C ATOM 612 C ASP A 39 -9.708 4.729 -3.995 1.00 1.00 C ATOM 613 O ASP A 39 -9.760 5.373 -2.948 1.00 1.14 O ATOM 614 CB ASP A 39 -10.370 6.083 -5.977 1.00 1.39 C ATOM 615 CG ASP A 39 -11.227 5.099 -6.760 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.935 4.336 -6.050 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.267 5.079 -8.020 1.00 2.25 O ATOM 0 H ASP A 39 -8.807 4.461 -6.974 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.545 6.219 -4.809 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.007 6.619 -5.273 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.966 6.823 -6.668 1.00 1.39 H new ATOM 622 N GLN A 40 -10.001 3.421 -4.097 1.00 0.87 N ATOM 623 CA GLN A 40 -10.482 2.631 -3.006 1.00 0.84 C ATOM 624 C GLN A 40 -9.395 2.337 -2.031 1.00 0.67 C ATOM 625 O GLN A 40 -9.660 1.908 -0.909 1.00 0.80 O ATOM 626 CB GLN A 40 -11.012 1.296 -3.555 1.00 0.95 C ATOM 627 CG GLN A 40 -12.332 1.445 -4.312 1.00 1.32 C ATOM 628 CD GLN A 40 -12.843 0.108 -4.830 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.530 -0.950 -4.284 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.652 0.242 -5.915 1.00 2.02 N ATOM 0 H GLN A 40 -9.900 2.896 -4.966 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.268 3.190 -2.499 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.266 0.860 -4.219 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.150 0.598 -2.729 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.079 1.889 -3.655 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.195 2.130 -5.149 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.850 1.169 -6.292 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.061 -0.584 -6.351 1.00 2.02 H new ATOM 639 N GLN A 41 -8.105 2.566 -2.336 1.00 0.56 N ATOM 640 CA GLN A 41 -7.053 2.054 -1.515 1.00 0.51 C ATOM 641 C GLN A 41 -6.518 3.074 -0.568 1.00 0.49 C ATOM 642 O GLN A 41 -5.920 4.062 -0.991 1.00 0.65 O ATOM 643 CB GLN A 41 -5.934 1.665 -2.496 1.00 0.67 C ATOM 644 CG GLN A 41 -6.188 0.371 -3.271 1.00 0.69 C ATOM 645 CD GLN A 41 -5.086 0.126 -4.293 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.906 0.252 -3.969 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.357 -0.170 -5.592 1.00 0.61 N ATOM 0 H GLN A 41 -7.792 3.102 -3.145 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.421 1.226 -0.909 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.794 2.478 -3.208 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.001 1.564 -1.941 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.240 -0.469 -2.578 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.152 0.428 -3.776 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.323 -0.282 -5.899 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.594 -0.280 -6.260 1.00 0.61 H new ATOM 656 N ARG A 42 -6.684 2.737 0.724 1.00 0.47 N ATOM 657 CA ARG A 42 -6.048 3.513 1.742 1.00 0.55 C ATOM 658 C ARG A 42 -4.918 2.687 2.256 1.00 0.46 C ATOM 659 O ARG A 42 -5.075 1.597 2.801 1.00 0.52 O ATOM 660 CB ARG A 42 -7.017 3.869 2.882 1.00 0.73 C ATOM 661 CG ARG A 42 -8.114 4.893 2.580 1.00 1.04 C ATOM 662 CD ARG A 42 -9.136 5.031 3.711 1.00 1.28 C ATOM 663 NE ARG A 42 -9.955 6.204 3.294 1.00 1.69 N ATOM 664 CZ ARG A 42 -11.200 6.339 3.834 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.609 5.420 4.756 1.00 2.34 N ATOM 666 NH2 ARG A 42 -12.116 7.287 3.476 1.00 2.78 N ATOM 0 H ARG A 42 -7.242 1.951 1.057 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.700 4.461 1.332 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.497 2.949 3.215 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.429 4.243 3.720 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.655 5.864 2.393 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.631 4.603 1.665 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.744 4.133 3.815 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.651 5.201 4.672 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.595 6.885 2.625 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.988 4.656 5.025 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.535 5.497 5.176 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.889 7.967 2.750 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -13.027 7.315 3.934 1.00 2.78 H new ATOM 680 N LEU A 43 -3.691 3.185 2.020 1.00 0.46 N ATOM 681 CA LEU A 43 -2.527 2.542 2.546 1.00 0.42 C ATOM 682 C LEU A 43 -2.021 3.160 3.805 1.00 0.43 C ATOM 683 O LEU A 43 -1.581 4.307 3.880 1.00 0.55 O ATOM 684 CB LEU A 43 -1.389 2.488 1.514 1.00 0.55 C ATOM 685 CG LEU A 43 -1.725 1.507 0.377 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.677 1.864 -0.690 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.783 0.042 0.842 1.00 1.12 C ATOM 0 H LEU A 43 -3.505 4.024 1.471 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.852 1.529 2.784 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.218 3.483 1.103 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.464 2.182 2.002 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.732 1.604 -0.029 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.814 1.225 -1.562 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.796 2.907 -0.982 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.323 1.713 -0.283 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.024 -0.599 -0.006 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.816 -0.248 1.253 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.550 -0.066 1.609 1.00 1.12 H new ATOM 699 N ILE A 44 -2.191 2.426 4.918 1.00 0.42 N ATOM 700 CA ILE A 44 -1.814 2.748 6.260 1.00 0.46 C ATOM 701 C ILE A 44 -0.550 2.077 6.677 1.00 0.42 C ATOM 702 O ILE A 44 -0.570 0.864 6.880 1.00 0.53 O ATOM 703 CB ILE A 44 -2.917 2.357 7.197 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.216 2.963 6.640 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.651 2.885 8.616 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.286 3.095 7.722 1.00 1.27 C ATOM 0 H ILE A 44 -2.640 1.511 4.871 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.640 3.823 6.298 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.987 1.271 7.267 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.007 3.944 6.214 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.592 2.337 5.831 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.467 2.587 9.274 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.714 2.471 8.989 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.583 3.973 8.593 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.189 3.527 7.290 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.514 2.110 8.130 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.920 3.742 8.519 1.00 1.27 H new ATOM 718 N PHE A 45 0.591 2.749 6.915 1.00 0.42 N ATOM 719 CA PHE A 45 1.747 2.120 7.473 1.00 0.46 C ATOM 720 C PHE A 45 1.855 2.562 8.892 1.00 0.68 C ATOM 721 O PHE A 45 1.963 3.743 9.219 1.00 1.50 O ATOM 722 CB PHE A 45 2.894 2.452 6.505 1.00 0.56 C ATOM 723 CG PHE A 45 4.236 2.227 7.113 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.777 0.964 7.154 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.933 3.276 7.665 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.048 0.738 7.628 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.137 3.023 8.280 1.00 1.33 C ATOM 728 CZ PHE A 45 6.719 1.778 8.229 1.00 1.02 C ATOM 0 H PHE A 45 0.712 3.742 6.717 1.00 0.42 H new ATOM 0 HA PHE A 45 1.736 1.033 7.550 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.797 1.840 5.608 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.811 3.492 6.191 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.189 0.128 6.805 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.542 4.281 7.616 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.509 -0.234 7.531 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.636 3.818 8.814 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.697 1.618 8.658 1.00 1.02 H new ATOM 738 N ALA A 46 1.891 1.608 9.839 1.00 0.81 N ATOM 739 CA ALA A 46 1.921 1.799 11.256 1.00 0.96 C ATOM 740 C ALA A 46 0.618 2.335 11.743 1.00 0.97 C ATOM 741 O ALA A 46 -0.099 1.660 12.479 1.00 1.21 O ATOM 742 CB ALA A 46 3.123 2.497 11.912 1.00 1.20 C ATOM 0 H ALA A 46 1.900 0.619 9.590 1.00 0.81 H new ATOM 0 HA ALA A 46 2.090 0.782 11.611 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.969 2.551 12.990 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.031 1.931 11.704 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.223 3.505 11.509 1.00 1.20 H new ATOM 748 N GLY A 47 0.257 3.554 11.305 1.00 0.99 N ATOM 749 CA GLY A 47 -0.962 4.209 11.662 1.00 1.10 C ATOM 750 C GLY A 47 -1.109 5.353 10.718 1.00 1.03 C ATOM 751 O GLY A 47 -2.196 5.908 10.568 1.00 1.30 O ATOM 0 H GLY A 47 0.839 4.106 10.676 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.809 3.527 11.582 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.929 4.557 12.694 1.00 1.10 H new ATOM 755 N LYS A 48 -0.029 5.758 10.027 1.00 0.98 N ATOM 756 CA LYS A 48 0.137 6.899 9.181 1.00 1.05 C ATOM 757 C LYS A 48 -0.390 6.522 7.839 1.00 0.84 C ATOM 758 O LYS A 48 0.072 5.556 7.233 1.00 0.81 O ATOM 759 CB LYS A 48 1.635 7.245 9.227 1.00 1.42 C ATOM 760 CG LYS A 48 2.078 8.332 8.245 1.00 1.61 C ATOM 761 CD LYS A 48 3.590 8.393 8.016 1.00 1.87 C ATOM 762 CE LYS A 48 4.315 8.597 9.348 1.00 2.22 C ATOM 763 NZ LYS A 48 5.703 9.106 9.288 1.00 2.55 N ATOM 0 H LYS A 48 0.833 5.215 10.070 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.409 7.793 9.483 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.888 7.565 10.238 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.208 6.340 9.026 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.583 8.165 7.288 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.739 9.300 8.614 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.932 7.472 7.544 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.830 9.209 7.334 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.727 9.289 9.951 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.327 7.644 9.876 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.080 9.200 10.253 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.293 8.441 8.748 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.712 10.035 8.821 1.00 2.55 H new ATOM 777 N GLN A 49 -1.338 7.317 7.311 1.00 0.84 N ATOM 778 CA GLN A 49 -1.908 7.176 6.007 1.00 0.80 C ATOM 779 C GLN A 49 -1.127 7.801 4.903 1.00 0.72 C ATOM 780 O GLN A 49 -0.851 8.999 4.947 1.00 0.83 O ATOM 781 CB GLN A 49 -3.414 7.479 5.933 1.00 1.03 C ATOM 782 CG GLN A 49 -4.180 6.925 4.730 1.00 1.67 C ATOM 783 CD GLN A 49 -5.685 7.122 4.846 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.343 6.264 5.433 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.174 8.275 4.318 1.00 2.48 N ATOM 0 H GLN A 49 -1.730 8.105 7.826 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.824 6.105 5.823 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.881 7.092 6.839 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.542 8.561 5.946 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.823 7.412 3.823 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.964 5.862 4.626 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.546 8.927 3.848 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.169 8.488 4.392 1.00 2.48 H new ATOM 794 N LEU A 50 -0.605 6.999 3.959 1.00 0.69 N ATOM 795 CA LEU A 50 0.314 7.388 2.935 1.00 0.66 C ATOM 796 C LEU A 50 -0.355 8.150 1.843 1.00 0.72 C ATOM 797 O LEU A 50 -1.389 7.741 1.319 1.00 0.90 O ATOM 798 CB LEU A 50 1.123 6.163 2.472 1.00 0.65 C ATOM 799 CG LEU A 50 1.645 5.283 3.619 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.328 3.994 3.134 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.579 6.052 4.569 1.00 0.74 C ATOM 0 H LEU A 50 -0.843 6.008 3.908 1.00 0.69 H new ATOM 0 HA LEU A 50 1.036 8.098 3.340 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.498 5.555 1.818 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.970 6.505 1.877 1.00 0.65 H new ATOM 0 HG LEU A 50 0.754 4.990 4.175 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.673 3.419 3.994 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.617 3.399 2.561 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.179 4.249 2.503 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.920 5.386 5.362 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.439 6.424 4.012 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.040 6.892 5.008 1.00 0.74 H new ATOM 813 N GLU A 51 0.229 9.278 1.399 1.00 0.70 N ATOM 814 CA GLU A 51 -0.152 10.081 0.280 1.00 0.76 C ATOM 815 C GLU A 51 0.425 9.676 -1.033 1.00 0.77 C ATOM 816 O GLU A 51 1.417 8.948 -1.023 1.00 1.23 O ATOM 817 CB GLU A 51 0.315 11.516 0.582 1.00 0.88 C ATOM 818 CG GLU A 51 -0.371 12.137 1.800 1.00 1.35 C ATOM 819 CD GLU A 51 0.475 13.338 2.202 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.488 13.590 1.497 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.090 14.040 3.175 1.00 1.89 O ATOM 0 H GLU A 51 1.047 9.662 1.872 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.231 9.970 0.169 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.393 11.512 0.745 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.126 12.142 -0.290 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.389 12.442 1.559 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.438 11.418 2.617 1.00 1.35 H new ATOM 828 N ASP A 52 -0.271 9.947 -2.151 1.00 0.66 N ATOM 829 CA ASP A 52 -0.144 9.347 -3.443 1.00 0.65 C ATOM 830 C ASP A 52 1.158 9.638 -4.106 1.00 0.60 C ATOM 831 O ASP A 52 1.888 8.796 -4.626 1.00 0.62 O ATOM 832 CB ASP A 52 -1.225 9.939 -4.363 1.00 0.81 C ATOM 833 CG ASP A 52 -2.642 9.769 -3.835 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.129 8.626 -4.044 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.236 10.639 -3.143 1.00 1.56 O ATOM 0 H ASP A 52 -0.998 10.662 -2.147 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.233 8.271 -3.293 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.026 11.001 -4.506 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.153 9.467 -5.343 1.00 0.81 H new ATOM 840 N GLY A 53 1.581 10.913 -4.044 1.00 0.68 N ATOM 841 CA GLY A 53 2.855 11.280 -4.581 1.00 0.73 C ATOM 842 C GLY A 53 3.884 11.349 -3.506 1.00 0.72 C ATOM 843 O GLY A 53 4.630 12.323 -3.431 1.00 0.97 O ATOM 0 H GLY A 53 1.051 11.679 -3.629 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.159 10.554 -5.335 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.779 12.246 -5.080 1.00 0.73 H new ATOM 847 N ARG A 54 4.043 10.316 -2.659 1.00 0.64 N ATOM 848 CA ARG A 54 5.212 10.143 -1.854 1.00 0.63 C ATOM 849 C ARG A 54 5.773 8.798 -2.167 1.00 0.59 C ATOM 850 O ARG A 54 5.096 7.954 -2.751 1.00 0.62 O ATOM 851 CB ARG A 54 4.872 10.158 -0.355 1.00 0.69 C ATOM 852 CG ARG A 54 4.307 11.428 0.286 1.00 0.82 C ATOM 853 CD ARG A 54 5.217 12.656 0.215 1.00 1.18 C ATOM 854 NE ARG A 54 4.347 13.672 0.870 1.00 1.50 N ATOM 855 CZ ARG A 54 4.594 14.979 1.177 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.849 15.455 0.924 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.648 15.824 1.679 1.00 2.49 N ATOM 0 H ARG A 54 3.343 9.585 -2.531 1.00 0.64 H new ATOM 0 HA ARG A 54 5.908 10.954 -2.067 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.154 9.357 -0.177 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.781 9.898 0.187 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.360 11.669 -0.198 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.086 11.220 1.333 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.156 12.508 0.748 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.471 12.926 -0.810 1.00 1.18 H new ATOM 0 HE ARG A 54 3.419 13.338 1.131 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.556 14.840 0.522 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.079 16.426 1.137 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.699 15.488 1.843 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.890 16.792 1.890 1.00 2.49 H new ATOM 871 N THR A 55 7.046 8.507 -1.846 1.00 0.63 N ATOM 872 CA THR A 55 7.646 7.236 -2.111 1.00 0.61 C ATOM 873 C THR A 55 7.835 6.468 -0.848 1.00 0.59 C ATOM 874 O THR A 55 7.589 6.983 0.241 1.00 0.64 O ATOM 875 CB THR A 55 8.929 7.367 -2.878 1.00 0.68 C ATOM 876 OG1 THR A 55 9.965 7.853 -2.038 1.00 0.75 O ATOM 877 CG2 THR A 55 8.865 8.386 -4.027 1.00 0.76 C ATOM 0 H THR A 55 7.673 9.171 -1.392 1.00 0.63 H new ATOM 0 HA THR A 55 6.961 6.675 -2.747 1.00 0.61 H new ATOM 0 HB THR A 55 9.111 6.365 -3.266 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.761 8.772 -1.765 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.829 8.424 -4.534 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.094 8.086 -4.737 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.626 9.371 -3.627 1.00 0.76 H new ATOM 885 N LEU A 56 8.249 5.207 -1.067 1.00 0.58 N ATOM 886 CA LEU A 56 8.647 4.302 -0.034 1.00 0.59 C ATOM 887 C LEU A 56 9.834 4.753 0.745 1.00 0.64 C ATOM 888 O LEU A 56 9.892 4.569 1.960 1.00 0.70 O ATOM 889 CB LEU A 56 8.837 2.922 -0.688 1.00 0.60 C ATOM 890 CG LEU A 56 7.618 2.333 -1.416 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.020 1.229 -2.409 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.596 1.813 -0.390 1.00 1.03 C ATOM 0 H LEU A 56 8.309 4.802 -2.001 1.00 0.58 H new ATOM 0 HA LEU A 56 7.866 4.255 0.725 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.658 2.993 -1.401 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.146 2.218 0.085 1.00 0.60 H new ATOM 0 HG LEU A 56 7.157 3.128 -2.001 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.129 0.840 -2.901 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.697 1.641 -3.157 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.520 0.422 -1.873 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.735 1.397 -0.913 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.057 1.038 0.223 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.271 2.635 0.248 1.00 1.03 H new ATOM 904 N SER A 57 10.802 5.362 0.037 1.00 0.68 N ATOM 905 CA SER A 57 11.988 5.991 0.530 1.00 0.75 C ATOM 906 C SER A 57 11.765 7.219 1.344 1.00 0.76 C ATOM 907 O SER A 57 12.493 7.574 2.269 1.00 0.84 O ATOM 908 CB SER A 57 12.900 6.364 -0.651 1.00 0.84 C ATOM 909 OG SER A 57 14.282 6.602 -0.424 1.00 1.19 O ATOM 0 H SER A 57 10.746 5.418 -0.980 1.00 0.68 H new ATOM 0 HA SER A 57 12.441 5.255 1.195 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.824 5.564 -1.387 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.486 7.261 -1.112 1.00 0.84 H new ATOM 0 HG SER A 57 14.719 6.825 -1.272 1.00 1.19 H new ATOM 915 N ASP A 58 10.693 7.982 1.062 1.00 0.75 N ATOM 916 CA ASP A 58 10.330 9.061 1.927 1.00 0.78 C ATOM 917 C ASP A 58 9.770 8.561 3.214 1.00 0.77 C ATOM 918 O ASP A 58 10.195 9.127 4.220 1.00 0.86 O ATOM 919 CB ASP A 58 9.222 9.862 1.223 1.00 0.83 C ATOM 920 CG ASP A 58 9.853 10.693 0.116 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.519 11.733 0.371 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.721 10.239 -1.052 1.00 1.86 O ATOM 0 H ASP A 58 10.088 7.856 0.251 1.00 0.75 H new ATOM 0 HA ASP A 58 11.216 9.660 2.136 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.472 9.188 0.809 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.711 10.508 1.937 1.00 0.83 H new ATOM 927 N TYR A 59 8.881 7.552 3.215 1.00 0.72 N ATOM 928 CA TYR A 59 8.295 7.084 4.433 1.00 0.73 C ATOM 929 C TYR A 59 9.040 5.966 5.078 1.00 0.76 C ATOM 930 O TYR A 59 8.634 5.411 6.098 1.00 0.89 O ATOM 931 CB TYR A 59 6.903 6.537 4.074 1.00 0.73 C ATOM 932 CG TYR A 59 5.956 7.642 3.756 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.586 8.543 4.726 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.262 7.642 2.568 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.590 9.459 4.485 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.176 8.463 2.378 1.00 0.70 C ATOM 937 CZ TYR A 59 3.850 9.403 3.327 1.00 0.74 C ATOM 938 OH TYR A 59 2.727 10.209 3.045 1.00 0.86 O ATOM 0 H TYR A 59 8.569 7.062 2.377 1.00 0.72 H new ATOM 0 HA TYR A 59 8.290 7.920 5.133 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.983 5.865 3.219 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.514 5.950 4.906 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.082 8.531 5.685 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.576 6.985 1.770 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.386 10.231 5.213 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.579 8.370 1.483 1.00 0.70 H new ATOM 0 HH TYR A 59 2.822 11.072 3.499 1.00 0.86 H new ATOM 948 N ASN A 60 10.239 5.637 4.565 1.00 0.74 N ATOM 949 CA ASN A 60 11.198 4.636 4.917 1.00 0.79 C ATOM 950 C ASN A 60 10.674 3.260 5.143 1.00 0.75 C ATOM 951 O ASN A 60 10.916 2.564 6.127 1.00 0.86 O ATOM 952 CB ASN A 60 12.091 5.073 6.089 1.00 0.95 C ATOM 953 CG ASN A 60 12.832 6.299 5.573 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.860 6.048 4.946 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.365 7.556 5.800 1.00 1.83 N ATOM 0 H ASN A 60 10.587 6.169 3.768 1.00 0.74 H new ATOM 0 HA ASN A 60 11.797 4.554 4.010 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.498 5.311 6.972 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.785 4.282 6.375 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.876 8.362 5.441 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.504 7.692 6.329 1.00 1.83 H new ATOM 962 N ILE A 61 9.863 2.808 4.168 1.00 0.67 N ATOM 963 CA ILE A 61 9.267 1.511 4.085 1.00 0.65 C ATOM 964 C ILE A 61 10.245 0.671 3.338 1.00 0.66 C ATOM 965 O ILE A 61 10.518 1.093 2.216 1.00 0.75 O ATOM 966 CB ILE A 61 7.996 1.664 3.304 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.018 2.672 3.929 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.217 0.340 3.252 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.857 2.945 2.974 1.00 0.82 C ATOM 0 H ILE A 61 9.605 3.398 3.377 1.00 0.67 H new ATOM 0 HA ILE A 61 9.040 1.064 5.053 1.00 0.65 H new ATOM 0 HB ILE A 61 8.321 2.003 2.320 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.637 2.282 4.873 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.539 3.603 4.155 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.300 0.480 2.680 1.00 0.72 H new ATOM 0 HG22 ILE A 61 7.830 -0.424 2.774 1.00 0.72 H new ATOM 0 HG23 ILE A 61 6.968 0.024 4.265 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.172 3.660 3.429 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.242 3.355 2.041 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.327 2.015 2.770 1.00 0.82 H new ATOM 981 N GLN A 62 10.836 -0.362 3.966 1.00 0.67 N ATOM 982 CA GLN A 62 11.850 -1.169 3.362 1.00 0.70 C ATOM 983 C GLN A 62 11.365 -2.527 2.992 1.00 0.62 C ATOM 984 O GLN A 62 10.170 -2.796 3.105 1.00 0.64 O ATOM 985 CB GLN A 62 12.996 -1.279 4.383 1.00 0.85 C ATOM 986 CG GLN A 62 13.529 0.138 4.610 1.00 1.27 C ATOM 987 CD GLN A 62 14.675 0.057 5.609 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.779 -0.224 5.147 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.525 0.646 6.826 1.00 2.16 N ATOM 0 H GLN A 62 10.602 -0.643 4.918 1.00 0.67 H new ATOM 0 HA GLN A 62 12.173 -0.703 2.431 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.640 -1.712 5.318 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.784 -1.933 4.009 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.873 0.571 3.670 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.739 0.786 4.989 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.592 0.864 7.176 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.346 0.870 7.389 1.00 2.16 H new ATOM 998 N LYS A 63 12.332 -3.411 2.685 1.00 0.64 N ATOM 999 CA LYS A 63 11.953 -4.739 2.311 1.00 0.62 C ATOM 1000 C LYS A 63 11.259 -5.489 3.396 1.00 0.59 C ATOM 1001 O LYS A 63 11.549 -5.321 4.579 1.00 0.66 O ATOM 1002 CB LYS A 63 13.141 -5.473 1.666 1.00 0.74 C ATOM 1003 CG LYS A 63 14.114 -5.912 2.762 1.00 0.89 C ATOM 1004 CD LYS A 63 15.515 -6.307 2.290 1.00 1.11 C ATOM 1005 CE LYS A 63 16.503 -6.640 3.410 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.738 -7.112 2.745 1.00 2.12 N ATOM 0 H LYS A 63 13.334 -3.220 2.694 1.00 0.64 H new ATOM 0 HA LYS A 63 11.183 -4.669 1.543 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.789 -6.340 1.107 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.646 -4.819 0.955 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.210 -5.100 3.483 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.677 -6.759 3.291 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.430 -7.171 1.631 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.925 -5.491 1.694 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.703 -5.763 4.026 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.099 -7.407 4.070 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.449 -7.354 3.464 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.524 -7.954 2.173 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.110 -6.360 2.130 1.00 2.12 H new ATOM 1020 N GLU A 64 10.287 -6.331 3.002 1.00 0.57 N ATOM 1021 CA GLU A 64 9.477 -7.154 3.846 1.00 0.58 C ATOM 1022 C GLU A 64 8.538 -6.406 4.729 1.00 0.56 C ATOM 1023 O GLU A 64 8.019 -6.960 5.695 1.00 0.70 O ATOM 1024 CB GLU A 64 10.234 -8.270 4.585 1.00 0.72 C ATOM 1025 CG GLU A 64 11.178 -9.135 3.747 1.00 0.96 C ATOM 1026 CD GLU A 64 11.745 -10.389 4.398 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.304 -10.293 5.522 1.00 1.69 O ATOM 1028 OE2 GLU A 64 11.737 -11.452 3.720 1.00 1.71 O ATOM 0 H GLU A 64 10.050 -6.444 2.016 1.00 0.57 H new ATOM 0 HA GLU A 64 8.842 -7.675 3.130 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.814 -7.814 5.387 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.500 -8.925 5.055 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.647 -9.436 2.844 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.015 -8.512 3.432 1.00 0.96 H new ATOM 1035 N SER A 65 8.314 -5.111 4.439 1.00 0.51 N ATOM 1036 CA SER A 65 7.532 -4.287 5.305 1.00 0.51 C ATOM 1037 C SER A 65 6.090 -4.330 4.928 1.00 0.43 C ATOM 1038 O SER A 65 5.691 -4.311 3.765 1.00 0.50 O ATOM 1039 CB SER A 65 7.947 -2.807 5.262 1.00 0.65 C ATOM 1040 OG SER A 65 7.666 -2.073 6.446 1.00 1.04 O ATOM 0 H SER A 65 8.673 -4.638 3.610 1.00 0.51 H new ATOM 0 HA SER A 65 7.701 -4.689 6.304 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.017 -2.750 5.062 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.440 -2.327 4.425 1.00 0.65 H new ATOM 0 HG SER A 65 7.962 -1.146 6.334 1.00 1.04 H new ATOM 1046 N THR A 66 5.159 -4.452 5.891 1.00 0.45 N ATOM 1047 CA THR A 66 3.747 -4.660 5.805 1.00 0.45 C ATOM 1048 C THR A 66 2.983 -3.384 5.897 1.00 0.43 C ATOM 1049 O THR A 66 2.818 -2.695 6.902 1.00 0.58 O ATOM 1050 CB THR A 66 3.201 -5.622 6.819 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.925 -6.838 6.707 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.684 -5.862 6.745 1.00 0.78 C ATOM 0 H THR A 66 5.444 -4.396 6.869 1.00 0.45 H new ATOM 0 HA THR A 66 3.610 -5.106 4.820 1.00 0.45 H new ATOM 0 HB THR A 66 3.339 -5.168 7.800 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.586 -7.482 7.363 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.390 -6.571 7.518 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.159 -4.919 6.898 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.427 -6.266 5.766 1.00 0.78 H new ATOM 1060 N LEU A 67 2.303 -2.992 4.806 1.00 0.38 N ATOM 1061 CA LEU A 67 1.351 -1.927 4.732 1.00 0.38 C ATOM 1062 C LEU A 67 -0.018 -2.493 4.883 1.00 0.37 C ATOM 1063 O LEU A 67 -0.245 -3.697 4.776 1.00 0.50 O ATOM 1064 CB LEU A 67 1.345 -1.192 3.381 1.00 0.46 C ATOM 1065 CG LEU A 67 2.727 -0.955 2.750 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.626 -0.335 1.345 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.680 -0.079 3.579 1.00 1.31 C ATOM 0 H LEU A 67 2.429 -3.456 3.906 1.00 0.38 H new ATOM 0 HA LEU A 67 1.630 -1.226 5.518 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.738 -1.763 2.679 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.855 -0.227 3.514 1.00 0.46 H new ATOM 0 HG LEU A 67 3.149 -1.959 2.705 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.627 -0.186 0.940 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.066 -1.004 0.692 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.113 0.625 1.407 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.627 0.029 3.050 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.233 0.904 3.728 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.856 -0.548 4.547 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.918 -1.635 5.396 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.212 -2.178 5.670 1.00 0.37 C ATOM 1081 C HIS A 68 -3.209 -1.579 4.739 1.00 0.35 C ATOM 1082 O HIS A 68 -3.388 -0.365 4.821 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.607 -1.764 7.098 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.736 -2.198 8.239 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.605 -1.493 8.597 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.739 -3.315 9.014 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.023 -2.238 9.545 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.642 -3.338 9.851 1.00 1.51 N ATOM 0 H HIS A 68 -0.773 -0.648 5.607 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.190 -3.262 5.555 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.666 -0.676 7.122 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.612 -2.142 7.286 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.301 -0.593 8.225 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.499 -4.082 8.979 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.963 -1.961 9.999 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.899 -2.368 3.896 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.867 -1.939 2.934 1.00 0.38 C ATOM 1098 C LEU A 69 -6.224 -1.830 3.538 1.00 0.41 C ATOM 1099 O LEU A 69 -6.818 -2.793 4.018 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.735 -2.821 1.680 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.947 -2.712 0.741 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -6.015 -1.279 0.188 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.858 -3.695 -0.439 1.00 1.14 C ATOM 0 H LEU A 69 -3.770 -3.380 3.887 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.677 -0.919 2.599 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.834 -2.538 1.136 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.610 -3.860 1.984 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.840 -2.959 1.315 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.871 -1.187 -0.480 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.122 -0.575 1.013 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.100 -1.057 -0.362 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.736 -3.581 -1.075 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.960 -3.486 -1.020 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.815 -4.716 -0.060 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.752 -0.593 3.555 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.064 -0.308 4.048 1.00 0.56 C ATOM 1117 C VAL A 70 -8.941 0.102 2.914 1.00 0.55 C ATOM 1118 O VAL A 70 -8.544 1.070 2.270 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.023 0.719 5.140 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.388 1.253 5.606 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.276 0.178 6.371 1.00 0.97 C ATOM 0 H VAL A 70 -6.254 0.231 3.217 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.486 -1.208 4.494 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.500 1.559 4.683 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.240 1.988 6.397 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.901 1.721 4.766 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.991 0.428 5.986 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.259 0.940 7.150 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.785 -0.711 6.744 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.254 -0.079 6.092 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.050 -0.593 2.604 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.863 -0.340 1.454 1.00 0.84 C ATOM 1133 C LEU A 71 -11.752 0.821 1.739 1.00 0.85 C ATOM 1134 O LEU A 71 -12.381 0.839 2.796 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.532 -1.574 0.826 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.576 -2.647 0.281 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.362 -3.887 -0.177 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.742 -2.093 -0.887 1.00 2.78 C ATOM 0 H LEU A 71 -10.395 -1.363 3.178 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.210 -0.058 0.628 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.177 -2.035 1.574 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.176 -1.240 0.012 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.899 -2.935 1.085 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.669 -4.636 -0.560 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.913 -4.301 0.667 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.062 -3.604 -0.964 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.073 -2.870 -1.257 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.407 -1.775 -1.690 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.155 -1.242 -0.543 1.00 2.78 H new