USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -59:sc= 1.13 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.68 K(o=2.8,f=-6.6!) USER MOD Set 2.1: A 7 THR OG1 : rot 115:sc= 0.433 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.773 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.22 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= -0.239 (180deg=-0.995) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.07 (180deg=-0.0572!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.8 (180deg=1.45) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00227) USER MOD Single : A 31 GLN : amide:sc= -0.472 K(o=-0.47,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.47 K(o=0.47,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0643 K(o=-0.064,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.891 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.11) 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 HD1:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.307 -4.003 -3.942 1.00 0.78 N ATOM 2 CA MET A 1 12.945 -4.755 -2.720 1.00 0.70 C ATOM 3 C MET A 1 11.569 -5.311 -2.578 1.00 0.62 C ATOM 4 O MET A 1 10.629 -5.029 -3.319 1.00 0.68 O ATOM 5 CB MET A 1 13.197 -3.784 -1.555 1.00 0.75 C ATOM 6 CG MET A 1 12.102 -2.781 -1.184 1.00 0.79 C ATOM 7 SD MET A 1 12.832 -1.402 -0.252 1.00 1.10 S ATOM 8 CE MET A 1 11.303 -0.462 0.025 1.00 0.84 C ATOM 0 H1 MET A 1 14.267 -3.617 -3.840 1.00 0.78 H new ATOM 0 H2 MET A 1 13.275 -4.640 -4.764 1.00 0.78 H new ATOM 0 H3 MET A 1 12.633 -3.223 -4.082 1.00 0.78 H new ATOM 0 HA MET A 1 13.552 -5.660 -2.752 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.413 -4.380 -0.669 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.099 -3.218 -1.786 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.616 -2.408 -2.085 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.333 -3.271 -0.587 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.390 0.520 -0.440 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.462 -0.998 -0.415 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.138 -0.343 1.096 1.00 0.84 H new ATOM 20 N GLN A 2 11.358 -6.140 -1.541 1.00 0.59 N ATOM 21 CA GLN A 2 10.157 -6.869 -1.274 1.00 0.56 C ATOM 22 C GLN A 2 9.367 -6.061 -0.302 1.00 0.50 C ATOM 23 O GLN A 2 9.961 -5.526 0.632 1.00 0.60 O ATOM 24 CB GLN A 2 10.470 -8.264 -0.708 1.00 0.71 C ATOM 25 CG GLN A 2 9.457 -9.322 -1.151 1.00 1.15 C ATOM 26 CD GLN A 2 9.886 -10.681 -0.616 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.697 -11.469 -1.098 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.221 -11.075 0.504 1.00 1.72 N ATOM 0 H GLN A 2 12.078 -6.313 -0.840 1.00 0.59 H new ATOM 0 HA GLN A 2 9.592 -7.028 -2.192 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.468 -8.566 -1.027 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.485 -8.215 0.381 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.464 -9.069 -0.781 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.394 -9.349 -2.239 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.539 -10.453 0.938 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.405 -11.993 0.910 1.00 1.72 H new ATOM 37 N ILE A 3 8.033 -5.919 -0.395 1.00 0.44 N ATOM 38 CA ILE A 3 7.183 -5.343 0.599 1.00 0.42 C ATOM 39 C ILE A 3 5.886 -6.076 0.647 1.00 0.40 C ATOM 40 O ILE A 3 5.477 -6.669 -0.350 1.00 0.50 O ATOM 41 CB ILE A 3 6.929 -3.868 0.498 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.191 -3.400 -0.768 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.210 -3.026 0.624 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.633 -1.977 -0.776 1.00 0.72 C ATOM 0 H ILE A 3 7.516 -6.227 -1.218 1.00 0.44 H new ATOM 0 HA ILE A 3 7.747 -5.455 1.525 1.00 0.42 H new ATOM 0 HB ILE A 3 6.269 -3.702 1.349 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.875 -3.497 -1.611 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.364 -4.086 -0.948 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.960 -1.968 0.543 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.676 -3.215 1.591 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.903 -3.297 -0.172 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.140 -1.785 -1.729 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.913 -1.864 0.034 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.448 -1.266 -0.639 1.00 0.72 H new ATOM 56 N PHE A 4 5.249 -6.113 1.831 1.00 0.37 N ATOM 57 CA PHE A 4 4.087 -6.907 2.080 1.00 0.38 C ATOM 58 C PHE A 4 2.929 -5.977 2.199 1.00 0.39 C ATOM 59 O PHE A 4 3.051 -4.987 2.919 1.00 0.60 O ATOM 60 CB PHE A 4 4.216 -7.687 3.400 1.00 0.45 C ATOM 61 CG PHE A 4 5.262 -8.740 3.263 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.154 -9.713 2.299 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.249 -8.735 4.221 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.146 -10.666 2.286 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.210 -9.718 4.243 1.00 1.40 C ATOM 66 CZ PHE A 4 7.072 -10.712 3.302 1.00 0.85 C ATOM 0 H PHE A 4 5.553 -5.573 2.641 1.00 0.37 H new ATOM 0 HA PHE A 4 3.960 -7.623 1.268 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.476 -7.007 4.211 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.260 -8.142 3.659 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.337 -9.729 1.592 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.269 -7.951 4.963 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.198 -11.379 1.477 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.022 -9.710 4.955 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.723 -11.571 3.364 1.00 0.85 H new ATOM 76 N VAL A 5 1.816 -6.319 1.526 1.00 0.35 N ATOM 77 CA VAL A 5 0.583 -5.652 1.809 1.00 0.35 C ATOM 78 C VAL A 5 -0.538 -6.517 2.276 1.00 0.35 C ATOM 79 O VAL A 5 -0.845 -7.521 1.635 1.00 0.46 O ATOM 80 CB VAL A 5 0.145 -4.840 0.627 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.904 -3.802 1.058 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.277 -3.933 0.116 1.00 0.56 C ATOM 0 H VAL A 5 1.767 -7.038 0.804 1.00 0.35 H new ATOM 0 HA VAL A 5 0.813 -5.013 2.661 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.201 -5.564 -0.110 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.215 -3.218 0.192 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.769 -4.313 1.481 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.473 -3.138 1.807 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.925 -3.359 -0.741 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.582 -3.250 0.909 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.127 -4.546 -0.183 1.00 0.56 H new ATOM 92 N LYS A 6 -1.120 -6.257 3.459 1.00 0.36 N ATOM 93 CA LYS A 6 -2.146 -7.004 4.118 1.00 0.39 C ATOM 94 C LYS A 6 -3.518 -6.498 3.837 1.00 0.46 C ATOM 95 O LYS A 6 -3.841 -5.311 3.868 1.00 0.53 O ATOM 96 CB LYS A 6 -1.972 -6.992 5.646 1.00 0.54 C ATOM 97 CG LYS A 6 -3.019 -7.764 6.450 1.00 1.22 C ATOM 98 CD LYS A 6 -3.184 -9.257 6.160 1.00 1.37 C ATOM 99 CE LYS A 6 -4.041 -9.932 7.232 1.00 1.93 C ATOM 100 NZ LYS A 6 -3.491 -9.719 8.590 1.00 2.09 N ATOM 0 H LYS A 6 -0.843 -5.442 4.007 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.041 -8.013 3.719 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.989 -7.400 5.882 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.976 -5.956 5.983 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.778 -7.653 7.507 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.984 -7.283 6.291 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.646 -9.392 5.182 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.205 -9.734 6.119 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -5.057 -9.540 7.186 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -4.103 -11.001 7.028 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.537 -10.609 9.127 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.501 -9.408 8.519 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -4.048 -8.990 9.080 1.00 2.09 H new ATOM 114 N THR A 7 -4.459 -7.376 3.446 1.00 0.58 N ATOM 115 CA THR A 7 -5.811 -7.055 3.110 1.00 0.78 C ATOM 116 C THR A 7 -6.654 -7.314 4.311 1.00 0.94 C ATOM 117 O THR A 7 -6.341 -8.131 5.175 1.00 0.99 O ATOM 118 CB THR A 7 -6.278 -7.768 1.875 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.555 -9.143 2.094 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.398 -7.579 0.628 1.00 0.92 C ATOM 0 H THR A 7 -4.262 -8.373 3.359 1.00 0.58 H new ATOM 0 HA THR A 7 -5.894 -6.001 2.847 1.00 0.78 H new ATOM 0 HB THR A 7 -7.217 -7.263 1.648 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.513 -9.308 1.968 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.825 -8.136 -0.206 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.352 -6.520 0.372 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.393 -7.947 0.833 1.00 0.92 H new ATOM 128 N LEU A 8 -7.801 -6.632 4.482 1.00 1.17 N ATOM 129 CA LEU A 8 -8.832 -6.762 5.465 1.00 1.39 C ATOM 130 C LEU A 8 -9.501 -8.093 5.429 1.00 1.44 C ATOM 131 O LEU A 8 -9.967 -8.553 6.470 1.00 1.60 O ATOM 132 CB LEU A 8 -9.953 -5.732 5.249 1.00 1.66 C ATOM 133 CG LEU A 8 -9.557 -4.250 5.350 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.694 -3.482 4.654 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.641 -3.908 6.848 1.00 2.43 C ATOM 0 H LEU A 8 -8.033 -5.881 3.832 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.321 -6.614 6.416 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.386 -5.902 4.263 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.738 -5.925 5.980 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.579 -4.024 4.926 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.483 -2.413 4.685 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.770 -3.807 3.616 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.635 -3.681 5.167 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.371 -2.863 6.998 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.658 -4.075 7.203 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.953 -4.544 7.406 1.00 2.43 H new ATOM 147 N THR A 9 -9.479 -8.827 4.301 1.00 1.41 N ATOM 148 CA THR A 9 -10.067 -10.122 4.165 1.00 1.51 C ATOM 149 C THR A 9 -9.256 -11.216 4.770 1.00 1.37 C ATOM 150 O THR A 9 -9.676 -11.908 5.696 1.00 1.62 O ATOM 151 CB THR A 9 -10.484 -10.391 2.750 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.325 -10.639 1.966 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.110 -9.168 2.060 1.00 2.08 C ATOM 0 H THR A 9 -9.030 -8.501 3.445 1.00 1.41 H new ATOM 0 HA THR A 9 -10.980 -10.112 4.761 1.00 1.51 H new ATOM 0 HB THR A 9 -11.193 -11.217 2.809 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.589 -10.817 1.039 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.390 -9.430 1.039 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.997 -8.854 2.610 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.388 -8.352 2.040 1.00 2.08 H new ATOM 161 N GLY A 10 -7.967 -11.286 4.392 1.00 1.18 N ATOM 162 CA GLY A 10 -7.068 -12.160 5.078 1.00 1.22 C ATOM 163 C GLY A 10 -5.813 -12.472 4.338 1.00 0.99 C ATOM 164 O GLY A 10 -5.145 -13.472 4.594 1.00 1.31 O ATOM 0 H GLY A 10 -7.554 -10.750 3.629 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.806 -11.710 6.036 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.587 -13.094 5.296 1.00 1.22 H new ATOM 168 N LYS A 11 -5.486 -11.773 3.236 1.00 0.73 N ATOM 169 CA LYS A 11 -4.377 -12.103 2.398 1.00 0.60 C ATOM 170 C LYS A 11 -3.218 -11.173 2.504 1.00 0.51 C ATOM 171 O LYS A 11 -3.403 -10.017 2.880 1.00 0.63 O ATOM 172 CB LYS A 11 -4.718 -12.295 0.911 1.00 0.75 C ATOM 173 CG LYS A 11 -3.623 -12.932 0.053 1.00 0.87 C ATOM 174 CD LYS A 11 -4.008 -13.027 -1.425 1.00 1.04 C ATOM 175 CE LYS A 11 -4.345 -11.748 -2.194 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.821 -11.910 -3.587 1.00 1.40 N ATOM 0 H LYS A 11 -6.008 -10.956 2.920 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.086 -13.070 2.808 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.614 -12.912 0.840 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.966 -11.322 0.486 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -2.707 -12.348 0.148 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.406 -13.931 0.432 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.186 -13.516 -1.947 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.870 -13.690 -1.497 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.109 -11.207 -1.635 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.456 -11.118 -2.210 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.586 -11.058 -4.135 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.360 -12.737 -4.017 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.852 -12.049 -3.588 1.00 1.40 H new ATOM 190 N THR A 12 -1.931 -11.533 2.354 1.00 0.49 N ATOM 191 CA THR A 12 -0.775 -10.693 2.311 1.00 0.48 C ATOM 192 C THR A 12 -0.197 -10.751 0.939 1.00 0.52 C ATOM 193 O THR A 12 0.158 -11.829 0.466 1.00 0.72 O ATOM 194 CB THR A 12 0.262 -11.006 3.349 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.190 -10.825 4.683 1.00 0.77 O ATOM 196 CG2 THR A 12 1.447 -10.029 3.256 1.00 0.78 C ATOM 0 H THR A 12 -1.677 -12.516 2.253 1.00 0.49 H new ATOM 0 HA THR A 12 -1.103 -9.682 2.552 1.00 0.48 H new ATOM 0 HB THR A 12 0.518 -12.046 3.149 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.533 -11.047 5.306 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.184 -10.278 4.019 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.905 -10.106 2.270 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.092 -9.010 3.413 1.00 0.78 H new ATOM 204 N ILE A 13 -0.143 -9.647 0.173 1.00 0.48 N ATOM 205 CA ILE A 13 0.355 -9.500 -1.160 1.00 0.55 C ATOM 206 C ILE A 13 1.819 -9.254 -1.025 1.00 0.51 C ATOM 207 O ILE A 13 2.329 -8.366 -0.346 1.00 0.56 O ATOM 208 CB ILE A 13 -0.375 -8.426 -1.909 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.900 -8.508 -1.730 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.007 -8.538 -3.395 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.730 -7.674 -2.705 1.00 1.55 C ATOM 0 H ILE A 13 -0.489 -8.757 0.532 1.00 0.48 H new ATOM 0 HA ILE A 13 0.186 -10.394 -1.760 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.080 -7.457 -1.507 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.202 -9.551 -1.825 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.145 -8.196 -0.715 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.512 -7.766 -3.963 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.084 -8.408 -3.505 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.280 -9.520 -3.771 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.790 -7.807 -2.487 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.467 -6.621 -2.598 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.526 -7.997 -3.726 1.00 1.55 H new ATOM 223 N THR A 14 2.646 -10.030 -1.749 1.00 0.55 N ATOM 224 CA THR A 14 4.054 -9.783 -1.760 1.00 0.54 C ATOM 225 C THR A 14 4.378 -9.039 -3.011 1.00 0.55 C ATOM 226 O THR A 14 4.518 -9.540 -4.125 1.00 0.72 O ATOM 227 CB THR A 14 4.801 -11.058 -1.503 1.00 0.67 C ATOM 228 OG1 THR A 14 4.453 -11.570 -0.225 1.00 1.08 O ATOM 229 CG2 THR A 14 6.307 -10.750 -1.436 1.00 1.03 C ATOM 0 H THR A 14 2.344 -10.819 -2.320 1.00 0.55 H new ATOM 0 HA THR A 14 4.386 -9.138 -0.947 1.00 0.54 H new ATOM 0 HB THR A 14 4.559 -11.766 -2.296 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.783 -10.964 0.471 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.859 -11.671 -1.249 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.632 -10.317 -2.382 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.498 -10.043 -0.629 1.00 1.03 H new ATOM 237 N LEU A 15 4.541 -7.706 -2.940 1.00 0.50 N ATOM 238 CA LEU A 15 4.908 -6.865 -4.036 1.00 0.55 C ATOM 239 C LEU A 15 6.376 -6.612 -4.006 1.00 0.52 C ATOM 240 O LEU A 15 7.010 -6.496 -2.959 1.00 0.58 O ATOM 241 CB LEU A 15 4.115 -5.549 -3.968 1.00 0.69 C ATOM 242 CG LEU A 15 2.579 -5.628 -3.959 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.869 -4.310 -3.607 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.074 -6.125 -5.324 1.00 1.55 C ATOM 0 H LEU A 15 4.410 -7.188 -2.071 1.00 0.50 H new ATOM 0 HA LEU A 15 4.667 -7.360 -4.977 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.427 -5.018 -3.069 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.412 -4.936 -4.819 1.00 0.69 H new ATOM 0 HG LEU A 15 2.329 -6.329 -3.163 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.790 -4.462 -3.625 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.173 -3.988 -2.611 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.140 -3.545 -4.335 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.985 -6.179 -5.312 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.394 -5.434 -6.104 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.484 -7.115 -5.525 1.00 1.55 H new ATOM 256 N GLU A 16 6.971 -6.507 -5.208 1.00 0.59 N ATOM 257 CA GLU A 16 8.235 -5.849 -5.339 1.00 0.63 C ATOM 258 C GLU A 16 8.145 -4.426 -5.773 1.00 0.65 C ATOM 259 O GLU A 16 7.465 -4.010 -6.709 1.00 0.81 O ATOM 260 CB GLU A 16 8.942 -6.729 -6.383 1.00 0.76 C ATOM 261 CG GLU A 16 9.179 -8.158 -5.891 1.00 1.41 C ATOM 262 CD GLU A 16 9.805 -9.014 -6.982 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.257 -9.147 -8.109 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.928 -9.529 -6.735 1.00 1.95 O ATOM 0 H GLU A 16 6.584 -6.872 -6.078 1.00 0.59 H new ATOM 0 HA GLU A 16 8.759 -5.765 -4.387 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.343 -6.758 -7.293 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.898 -6.277 -6.645 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.831 -8.142 -5.017 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.234 -8.599 -5.575 1.00 1.41 H new ATOM 271 N VAL A 17 8.888 -3.583 -5.034 1.00 0.61 N ATOM 272 CA VAL A 17 8.913 -2.162 -5.196 1.00 0.63 C ATOM 273 C VAL A 17 10.333 -1.713 -5.144 1.00 0.65 C ATOM 274 O VAL A 17 11.206 -2.468 -4.719 1.00 0.76 O ATOM 275 CB VAL A 17 8.205 -1.412 -4.106 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.696 -1.688 -4.227 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.721 -1.820 -2.717 1.00 0.92 C ATOM 0 H VAL A 17 9.501 -3.908 -4.287 1.00 0.61 H new ATOM 0 HA VAL A 17 8.412 -1.954 -6.141 1.00 0.63 H new ATOM 0 HB VAL A 17 8.400 -0.345 -4.218 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.164 -1.151 -3.442 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.342 -1.352 -5.201 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.512 -2.757 -4.123 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.187 -1.258 -1.951 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.555 -2.887 -2.566 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.787 -1.605 -2.647 1.00 0.92 H new ATOM 287 N GLU A 18 10.623 -0.449 -5.501 1.00 0.68 N ATOM 288 CA GLU A 18 11.878 0.188 -5.247 1.00 0.74 C ATOM 289 C GLU A 18 11.599 1.320 -4.320 1.00 0.71 C ATOM 290 O GLU A 18 10.477 1.818 -4.395 1.00 0.74 O ATOM 291 CB GLU A 18 12.555 0.721 -6.520 1.00 0.88 C ATOM 292 CG GLU A 18 12.658 -0.360 -7.598 1.00 1.16 C ATOM 293 CD GLU A 18 13.708 0.019 -8.634 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.502 0.999 -9.399 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.764 -0.665 -8.574 1.00 2.33 O ATOM 0 H GLU A 18 9.957 0.153 -5.986 1.00 0.68 H new ATOM 0 HA GLU A 18 12.568 -0.542 -4.824 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.989 1.568 -6.907 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.552 1.089 -6.276 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.918 -1.315 -7.141 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.691 -0.492 -8.083 1.00 1.16 H new ATOM 302 N PRO A 19 12.422 1.838 -3.456 1.00 0.74 N ATOM 303 CA PRO A 19 11.993 2.829 -2.513 1.00 0.74 C ATOM 304 C PRO A 19 11.827 4.179 -3.122 1.00 0.70 C ATOM 305 O PRO A 19 11.429 5.111 -2.426 1.00 0.74 O ATOM 306 CB PRO A 19 13.118 2.728 -1.486 1.00 0.86 C ATOM 307 CG PRO A 19 14.352 2.044 -2.097 1.00 0.95 C ATOM 308 CD PRO A 19 13.721 1.222 -3.231 1.00 0.82 C ATOM 0 HA PRO A 19 11.001 2.670 -2.091 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.386 3.724 -1.133 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.776 2.164 -0.618 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.078 2.766 -2.470 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.871 1.414 -1.374 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.335 1.253 -4.131 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.619 0.174 -2.951 1.00 0.82 H new ATOM 316 N SER A 20 12.162 4.336 -4.415 1.00 0.70 N ATOM 317 CA SER A 20 11.930 5.535 -5.159 1.00 0.74 C ATOM 318 C SER A 20 10.588 5.540 -5.804 1.00 0.71 C ATOM 319 O SER A 20 10.253 6.514 -6.477 1.00 0.80 O ATOM 320 CB SER A 20 12.994 5.741 -6.251 1.00 0.89 C ATOM 321 OG SER A 20 14.242 5.336 -5.710 1.00 1.45 O ATOM 0 H SER A 20 12.611 3.601 -4.962 1.00 0.70 H new ATOM 0 HA SER A 20 11.985 6.349 -4.436 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.752 5.155 -7.138 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.030 6.786 -6.559 1.00 0.89 H new ATOM 0 HG SER A 20 14.944 5.453 -6.384 1.00 1.45 H new ATOM 327 N ASP A 21 9.770 4.487 -5.631 1.00 0.70 N ATOM 328 CA ASP A 21 8.446 4.379 -6.163 1.00 0.73 C ATOM 329 C ASP A 21 7.466 5.093 -5.299 1.00 0.64 C ATOM 330 O ASP A 21 7.682 5.116 -4.088 1.00 0.66 O ATOM 331 CB ASP A 21 8.017 2.917 -6.382 1.00 0.87 C ATOM 332 CG ASP A 21 8.713 2.292 -7.583 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.735 2.803 -8.112 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.314 1.154 -7.951 1.00 1.50 O ATOM 0 H ASP A 21 10.047 3.667 -5.091 1.00 0.70 H new ATOM 0 HA ASP A 21 8.460 4.857 -7.143 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.243 2.335 -5.489 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.937 2.874 -6.526 1.00 0.87 H new ATOM 339 N THR A 22 6.394 5.678 -5.862 1.00 0.63 N ATOM 340 CA THR A 22 5.373 6.413 -5.183 1.00 0.58 C ATOM 341 C THR A 22 4.279 5.533 -4.682 1.00 0.53 C ATOM 342 O THR A 22 4.133 4.400 -5.137 1.00 0.58 O ATOM 343 CB THR A 22 4.766 7.579 -5.905 1.00 0.63 C ATOM 344 OG1 THR A 22 4.109 7.187 -7.100 1.00 0.70 O ATOM 345 CG2 THR A 22 5.810 8.635 -6.307 1.00 0.75 C ATOM 0 H THR A 22 6.230 5.633 -6.868 1.00 0.63 H new ATOM 0 HA THR A 22 5.937 6.848 -4.358 1.00 0.58 H new ATOM 0 HB THR A 22 4.056 7.999 -5.193 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.750 6.749 -7.697 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.316 9.456 -6.826 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.305 9.016 -5.414 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.550 8.182 -6.967 1.00 0.75 H new ATOM 353 N ILE A 23 3.476 6.000 -3.709 1.00 0.51 N ATOM 354 CA ILE A 23 2.434 5.193 -3.154 1.00 0.48 C ATOM 355 C ILE A 23 1.232 5.054 -4.024 1.00 0.48 C ATOM 356 O ILE A 23 0.469 4.089 -4.021 1.00 0.51 O ATOM 357 CB ILE A 23 2.010 5.845 -1.871 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.075 6.384 -0.902 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.985 5.060 -1.036 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.111 5.407 -0.347 1.00 0.73 C ATOM 0 H ILE A 23 3.548 6.935 -3.307 1.00 0.51 H new ATOM 0 HA ILE A 23 2.834 4.187 -3.024 1.00 0.48 H new ATOM 0 HB ILE A 23 1.556 6.719 -2.339 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.612 7.185 -1.410 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.557 6.835 -0.056 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.748 5.620 -0.131 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.077 4.912 -1.620 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.403 4.091 -0.764 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.791 5.937 0.320 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.605 4.615 0.206 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.677 4.970 -1.170 1.00 0.73 H new ATOM 372 N GLU A 24 1.056 5.951 -5.009 1.00 0.50 N ATOM 373 CA GLU A 24 0.256 5.756 -6.178 1.00 0.53 C ATOM 374 C GLU A 24 0.789 4.648 -7.020 1.00 0.50 C ATOM 375 O GLU A 24 -0.033 3.804 -7.373 1.00 0.55 O ATOM 376 CB GLU A 24 0.236 7.028 -7.043 1.00 0.64 C ATOM 377 CG GLU A 24 -0.542 7.031 -8.361 1.00 0.95 C ATOM 378 CD GLU A 24 -0.397 8.418 -8.970 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.751 8.902 -9.153 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.404 9.072 -9.352 1.00 1.56 O ATOM 0 H GLU A 24 1.500 6.869 -4.988 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.749 5.512 -5.834 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.161 7.835 -6.428 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.270 7.282 -7.274 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.152 6.271 -9.039 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.592 6.795 -8.188 1.00 0.95 H new ATOM 387 N ASN A 25 2.097 4.505 -7.301 1.00 0.51 N ATOM 388 CA ASN A 25 2.687 3.354 -7.909 1.00 0.52 C ATOM 389 C ASN A 25 2.326 2.065 -7.254 1.00 0.47 C ATOM 390 O ASN A 25 1.828 1.131 -7.881 1.00 0.53 O ATOM 391 CB ASN A 25 4.190 3.440 -8.225 1.00 0.64 C ATOM 392 CG ASN A 25 4.606 4.683 -8.998 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.481 5.439 -8.579 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.910 4.933 -10.139 1.00 1.57 N ATOM 0 H ASN A 25 2.779 5.234 -7.092 1.00 0.51 H new ATOM 0 HA ASN A 25 2.209 3.359 -8.888 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.747 3.407 -7.289 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.478 2.559 -8.798 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.106 5.774 -10.682 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.192 4.280 -10.452 1.00 1.57 H new ATOM 401 N VAL A 26 2.530 1.940 -5.930 1.00 0.45 N ATOM 402 CA VAL A 26 2.102 0.858 -5.098 1.00 0.44 C ATOM 403 C VAL A 26 0.681 0.415 -5.153 1.00 0.40 C ATOM 404 O VAL A 26 0.345 -0.768 -5.176 1.00 0.44 O ATOM 405 CB VAL A 26 2.606 0.991 -3.693 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.591 -0.380 -2.998 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.119 1.270 -3.712 1.00 0.62 C ATOM 0 H VAL A 26 3.034 2.652 -5.401 1.00 0.45 H new ATOM 0 HA VAL A 26 2.591 0.016 -5.588 1.00 0.44 H new ATOM 0 HB VAL A 26 1.995 1.757 -3.216 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.959 -0.275 -1.977 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.572 -0.767 -2.978 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.231 -1.072 -3.545 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.484 1.366 -2.689 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.635 0.446 -4.205 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.312 2.195 -4.255 1.00 0.62 H new ATOM 417 N LYS A 27 -0.262 1.373 -5.167 1.00 0.40 N ATOM 418 CA LYS A 27 -1.652 1.085 -5.339 1.00 0.41 C ATOM 419 C LYS A 27 -2.041 0.723 -6.732 1.00 0.38 C ATOM 420 O LYS A 27 -3.033 0.096 -7.101 1.00 0.42 O ATOM 421 CB LYS A 27 -2.575 2.158 -4.738 1.00 0.51 C ATOM 422 CG LYS A 27 -2.353 2.305 -3.231 1.00 0.76 C ATOM 423 CD LYS A 27 -2.898 3.621 -2.673 1.00 0.82 C ATOM 424 CE LYS A 27 -2.782 5.013 -3.297 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.795 5.894 -2.675 1.00 1.11 N ATOM 0 H LYS A 27 -0.056 2.366 -5.057 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.805 0.178 -4.754 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.392 3.114 -5.229 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.615 1.895 -4.930 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.832 1.472 -2.716 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.286 2.241 -3.018 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.967 3.455 -2.537 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.461 3.714 -1.679 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.782 5.416 -3.139 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.938 4.959 -4.374 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.944 6.730 -3.275 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.691 5.376 -2.575 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.463 6.196 -1.737 1.00 1.11 H new ATOM 439 N ALA A 28 -1.148 0.996 -7.699 1.00 0.39 N ATOM 440 CA ALA A 28 -1.267 0.531 -9.047 1.00 0.39 C ATOM 441 C ALA A 28 -0.960 -0.921 -9.189 1.00 0.36 C ATOM 442 O ALA A 28 -1.553 -1.683 -9.951 1.00 0.42 O ATOM 443 CB ALA A 28 -0.562 1.484 -10.027 1.00 0.51 C ATOM 0 H ALA A 28 -0.314 1.560 -7.538 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.316 0.572 -9.341 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.669 1.105 -11.043 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.013 2.474 -9.959 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.496 1.549 -9.774 1.00 0.51 H new ATOM 449 N LYS A 29 -0.001 -1.366 -8.358 1.00 0.39 N ATOM 450 CA LYS A 29 0.353 -2.750 -8.309 1.00 0.43 C ATOM 451 C LYS A 29 -0.776 -3.597 -7.829 1.00 0.44 C ATOM 452 O LYS A 29 -0.922 -4.763 -8.190 1.00 0.54 O ATOM 453 CB LYS A 29 1.613 -2.895 -7.440 1.00 0.54 C ATOM 454 CG LYS A 29 2.808 -2.218 -8.116 1.00 0.65 C ATOM 455 CD LYS A 29 4.103 -2.349 -7.313 1.00 1.08 C ATOM 456 CE LYS A 29 5.293 -1.550 -7.846 1.00 1.24 C ATOM 457 NZ LYS A 29 5.721 -2.178 -9.115 1.00 1.44 N ATOM 0 H LYS A 29 0.528 -0.769 -7.722 1.00 0.39 H new ATOM 0 HA LYS A 29 0.572 -3.110 -9.314 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.440 -2.449 -6.461 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.830 -3.951 -7.276 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.954 -2.654 -9.104 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.584 -1.162 -8.264 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.907 -2.035 -6.288 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.382 -3.402 -7.276 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.013 -0.509 -8.009 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.109 -1.551 -7.124 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.542 -1.666 -9.496 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.981 -3.170 -8.941 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.941 -2.140 -9.802 1.00 1.44 H new ATOM 471 N ILE A 30 -1.557 -3.003 -6.909 1.00 0.41 N ATOM 472 CA ILE A 30 -2.736 -3.563 -6.325 1.00 0.44 C ATOM 473 C ILE A 30 -3.826 -3.660 -7.336 1.00 0.45 C ATOM 474 O ILE A 30 -4.544 -4.648 -7.477 1.00 0.56 O ATOM 475 CB ILE A 30 -3.179 -3.153 -4.952 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.013 -3.264 -3.955 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.348 -4.040 -4.493 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.222 -2.575 -2.607 1.00 1.32 C ATOM 0 H ILE A 30 -1.351 -2.071 -6.550 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.400 -4.560 -6.040 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.509 -2.115 -4.987 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.813 -4.320 -3.775 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.121 -2.846 -4.421 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.665 -3.737 -3.495 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.181 -3.931 -5.187 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.028 -5.082 -4.471 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.339 -2.717 -1.985 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.387 -1.509 -2.765 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.090 -3.006 -2.109 1.00 1.32 H new ATOM 490 N GLN A 31 -3.936 -2.646 -8.213 1.00 0.41 N ATOM 491 CA GLN A 31 -4.890 -2.582 -9.276 1.00 0.48 C ATOM 492 C GLN A 31 -4.601 -3.678 -10.244 1.00 0.52 C ATOM 493 O GLN A 31 -5.519 -4.412 -10.605 1.00 0.66 O ATOM 494 CB GLN A 31 -4.998 -1.210 -9.963 1.00 0.52 C ATOM 495 CG GLN A 31 -6.221 -1.016 -10.860 1.00 0.70 C ATOM 496 CD GLN A 31 -6.263 0.262 -11.685 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.010 1.229 -11.552 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.273 0.355 -12.613 1.00 1.43 N ATOM 0 H GLN A 31 -3.327 -1.828 -8.178 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.877 -2.722 -8.836 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.008 -0.438 -9.194 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.101 -1.052 -10.562 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.282 -1.864 -11.542 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.112 -1.047 -10.233 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.632 -0.425 -12.754 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.172 1.205 -13.167 1.00 1.43 H new ATOM 507 N ASP A 32 -3.325 -3.959 -10.560 1.00 0.50 N ATOM 508 CA ASP A 32 -2.911 -5.086 -11.337 1.00 0.60 C ATOM 509 C ASP A 32 -3.258 -6.421 -10.774 1.00 0.65 C ATOM 510 O ASP A 32 -3.677 -7.330 -11.491 1.00 0.81 O ATOM 511 CB ASP A 32 -1.398 -4.991 -11.596 1.00 0.67 C ATOM 512 CG ASP A 32 -1.018 -5.744 -12.864 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.364 -5.299 -13.990 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.396 -6.834 -12.756 1.00 1.55 O ATOM 0 H ASP A 32 -2.545 -3.374 -10.260 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.480 -5.029 -12.265 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.105 -3.945 -11.687 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.853 -5.402 -10.746 1.00 0.67 H new ATOM 519 N LYS A 33 -3.116 -6.597 -9.449 1.00 0.62 N ATOM 520 CA LYS A 33 -3.348 -7.837 -8.776 1.00 0.73 C ATOM 521 C LYS A 33 -4.798 -8.137 -8.604 1.00 0.69 C ATOM 522 O LYS A 33 -5.353 -9.061 -9.194 1.00 0.83 O ATOM 523 CB LYS A 33 -2.738 -7.976 -7.371 1.00 0.85 C ATOM 524 CG LYS A 33 -1.209 -7.920 -7.345 1.00 1.31 C ATOM 525 CD LYS A 33 -0.500 -9.271 -7.465 1.00 1.71 C ATOM 526 CE LYS A 33 1.018 -9.295 -7.659 1.00 2.26 C ATOM 527 NZ LYS A 33 1.580 -10.531 -8.246 1.00 2.62 N ATOM 0 H LYS A 33 -2.828 -5.846 -8.821 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.848 -8.532 -9.450 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.131 -7.182 -6.736 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.064 -8.921 -6.937 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.872 -7.279 -8.159 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.896 -7.446 -6.415 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.726 -9.843 -6.565 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.948 -9.805 -8.303 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.296 -8.456 -8.296 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.490 -9.130 -6.691 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.612 -10.437 -8.331 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.356 -11.340 -7.632 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.168 -10.687 -9.188 1.00 2.62 H new ATOM 541 N GLU A 34 -5.478 -7.334 -7.766 1.00 0.63 N ATOM 542 CA GLU A 34 -6.832 -7.590 -7.380 1.00 0.67 C ATOM 543 C GLU A 34 -7.784 -6.823 -8.230 1.00 0.69 C ATOM 544 O GLU A 34 -8.691 -7.464 -8.759 1.00 0.95 O ATOM 545 CB GLU A 34 -6.957 -7.128 -5.918 1.00 0.73 C ATOM 546 CG GLU A 34 -6.046 -7.830 -4.908 1.00 0.83 C ATOM 547 CD GLU A 34 -6.211 -9.341 -4.993 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.314 -9.860 -4.673 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.234 -10.026 -5.397 1.00 1.48 O ATOM 0 H GLU A 34 -5.081 -6.492 -7.349 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.072 -8.647 -7.497 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.753 -6.058 -5.878 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.991 -7.267 -5.602 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.007 -7.561 -5.100 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.282 -7.490 -3.900 1.00 0.83 H new ATOM 556 N GLY A 35 -7.551 -5.525 -8.501 1.00 0.63 N ATOM 557 CA GLY A 35 -8.343 -4.732 -9.388 1.00 0.68 C ATOM 558 C GLY A 35 -9.169 -3.650 -8.782 1.00 0.76 C ATOM 559 O GLY A 35 -10.334 -3.404 -9.089 1.00 1.12 O ATOM 0 H GLY A 35 -6.778 -5.007 -8.084 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.676 -4.278 -10.121 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.009 -5.400 -9.934 1.00 0.68 H new ATOM 563 N ILE A 36 -8.579 -2.897 -7.836 1.00 0.70 N ATOM 564 CA ILE A 36 -9.218 -1.846 -7.106 1.00 0.76 C ATOM 565 C ILE A 36 -8.583 -0.622 -7.669 1.00 0.71 C ATOM 566 O ILE A 36 -7.361 -0.741 -7.744 1.00 0.73 O ATOM 567 CB ILE A 36 -8.961 -1.971 -5.633 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.365 -3.302 -4.979 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.737 -0.792 -5.020 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.388 -3.658 -3.860 1.00 1.16 C ATOM 0 H ILE A 36 -7.604 -3.029 -7.566 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.304 -1.850 -7.203 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.886 -1.952 -5.452 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.376 -3.227 -4.579 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.377 -4.094 -5.727 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.611 -0.797 -3.937 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.355 0.145 -5.426 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.795 -0.888 -5.262 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.685 -4.603 -3.405 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.383 -3.753 -4.271 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.398 -2.872 -3.105 1.00 1.16 H new ATOM 582 N PRO A 37 -9.223 0.454 -8.017 1.00 0.75 N ATOM 583 CA PRO A 37 -8.488 1.610 -8.441 1.00 0.79 C ATOM 584 C PRO A 37 -7.568 2.298 -7.492 1.00 0.75 C ATOM 585 O PRO A 37 -7.928 2.290 -6.315 1.00 0.75 O ATOM 586 CB PRO A 37 -9.564 2.588 -8.904 1.00 0.95 C ATOM 587 CG PRO A 37 -10.661 1.630 -9.393 1.00 1.02 C ATOM 588 CD PRO A 37 -10.636 0.488 -8.364 1.00 0.85 C ATOM 0 HA PRO A 37 -7.776 1.258 -9.187 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.911 3.229 -8.094 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.208 3.243 -9.699 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.635 2.119 -9.424 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.455 1.266 -10.400 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.267 0.698 -7.500 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.979 -0.456 -8.788 1.00 0.85 H new ATOM 596 N PRO A 38 -6.524 3.008 -7.800 1.00 0.81 N ATOM 597 CA PRO A 38 -5.651 3.584 -6.819 1.00 0.85 C ATOM 598 C PRO A 38 -6.249 4.757 -6.125 1.00 0.89 C ATOM 599 O PRO A 38 -5.840 4.957 -4.982 1.00 0.99 O ATOM 600 CB PRO A 38 -4.348 3.887 -7.555 1.00 1.01 C ATOM 601 CG PRO A 38 -4.821 3.950 -9.016 1.00 1.25 C ATOM 602 CD PRO A 38 -6.117 3.143 -9.191 1.00 0.98 C ATOM 0 HA PRO A 38 -5.466 2.895 -5.995 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -3.903 4.827 -7.228 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.600 3.109 -7.400 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.988 4.987 -9.307 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.047 3.555 -9.674 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.858 3.670 -9.792 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.946 2.179 -9.670 1.00 0.98 H new ATOM 610 N ASP A 39 -7.216 5.504 -6.691 1.00 0.96 N ATOM 611 CA ASP A 39 -7.938 6.506 -5.972 1.00 1.11 C ATOM 612 C ASP A 39 -8.780 5.919 -4.893 1.00 1.00 C ATOM 613 O ASP A 39 -9.061 6.558 -3.880 1.00 1.14 O ATOM 614 CB ASP A 39 -8.542 7.532 -6.944 1.00 1.39 C ATOM 615 CG ASP A 39 -9.561 6.843 -7.840 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.161 5.982 -8.668 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.788 7.120 -7.766 1.00 2.25 O ATOM 0 H ASP A 39 -7.500 5.409 -7.666 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.276 7.131 -5.372 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.018 8.339 -6.388 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -7.755 7.982 -7.549 1.00 1.39 H new ATOM 622 N GLN A 40 -9.320 4.697 -5.060 1.00 0.87 N ATOM 623 CA GLN A 40 -10.161 3.987 -4.148 1.00 0.84 C ATOM 624 C GLN A 40 -9.450 3.430 -2.963 1.00 0.67 C ATOM 625 O GLN A 40 -9.996 3.136 -1.901 1.00 0.80 O ATOM 626 CB GLN A 40 -11.025 2.886 -4.786 1.00 0.95 C ATOM 627 CG GLN A 40 -12.258 2.464 -3.986 1.00 1.32 C ATOM 628 CD GLN A 40 -12.945 1.225 -4.541 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.176 0.210 -3.885 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.441 1.386 -5.797 1.00 2.02 N ATOM 0 H GLN A 40 -9.151 4.161 -5.911 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.831 4.776 -3.806 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.351 3.229 -5.768 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.401 2.007 -4.947 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.965 2.276 -2.953 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.971 3.289 -3.969 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.236 2.237 -6.321 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.018 0.656 -6.215 1.00 2.02 H new ATOM 639 N GLN A 41 -8.133 3.183 -3.084 1.00 0.56 N ATOM 640 CA GLN A 41 -7.287 2.534 -2.131 1.00 0.51 C ATOM 641 C GLN A 41 -6.656 3.542 -1.231 1.00 0.49 C ATOM 642 O GLN A 41 -6.270 4.634 -1.644 1.00 0.65 O ATOM 643 CB GLN A 41 -6.156 1.899 -2.956 1.00 0.67 C ATOM 644 CG GLN A 41 -6.642 0.712 -3.790 1.00 0.69 C ATOM 645 CD GLN A 41 -5.427 0.069 -4.445 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.420 -0.203 -3.794 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.478 -0.108 -5.792 1.00 0.61 N ATOM 0 H GLN A 41 -7.619 3.462 -3.920 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.853 1.819 -1.533 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.724 2.651 -3.616 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.362 1.569 -2.286 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.162 -0.010 -3.160 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.352 1.044 -4.547 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.328 0.127 -6.305 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.667 -0.475 -6.289 1.00 0.61 H new ATOM 656 N ARG A 42 -6.466 3.143 0.039 1.00 0.47 N ATOM 657 CA ARG A 42 -5.677 3.866 0.987 1.00 0.55 C ATOM 658 C ARG A 42 -4.646 2.983 1.602 1.00 0.46 C ATOM 659 O ARG A 42 -4.989 1.842 1.904 1.00 0.52 O ATOM 660 CB ARG A 42 -6.528 4.562 2.061 1.00 0.73 C ATOM 661 CG ARG A 42 -7.509 5.613 1.538 1.00 1.04 C ATOM 662 CD ARG A 42 -8.145 6.370 2.705 1.00 1.28 C ATOM 663 NE ARG A 42 -9.002 5.389 3.428 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.043 5.327 4.791 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.343 6.176 5.598 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.983 4.533 5.382 1.00 2.78 N ATOM 0 H ARG A 42 -6.875 2.289 0.419 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.169 4.658 0.437 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.090 3.802 2.604 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.860 5.038 2.779 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.989 6.311 0.882 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.284 5.132 0.941 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.380 6.778 3.366 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.737 7.211 2.345 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.577 4.743 2.887 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.754 6.900 5.187 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.409 6.086 6.612 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.636 4.001 4.807 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.032 4.471 6.399 1.00 2.78 H new ATOM 680 N LEU A 43 -3.362 3.343 1.775 1.00 0.46 N ATOM 681 CA LEU A 43 -2.382 2.526 2.419 1.00 0.42 C ATOM 682 C LEU A 43 -2.143 3.044 3.796 1.00 0.43 C ATOM 683 O LEU A 43 -1.952 4.251 3.937 1.00 0.55 O ATOM 684 CB LEU A 43 -1.081 2.260 1.642 1.00 0.55 C ATOM 685 CG LEU A 43 -1.182 1.528 0.294 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.227 1.226 -0.247 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.922 0.181 0.291 1.00 1.12 C ATOM 0 H LEU A 43 -2.992 4.238 1.454 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.812 1.525 2.462 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.596 3.220 1.465 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.419 1.682 2.287 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.763 2.221 -0.314 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.146 0.707 -1.202 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.771 2.160 -0.386 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.762 0.596 0.464 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.923 -0.231 -0.718 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.419 -0.512 0.966 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.949 0.330 0.623 1.00 1.12 H new ATOM 699 N ILE A 44 -2.292 2.187 4.820 1.00 0.42 N ATOM 700 CA ILE A 44 -2.066 2.488 6.199 1.00 0.46 C ATOM 701 C ILE A 44 -0.909 1.634 6.589 1.00 0.42 C ATOM 702 O ILE A 44 -0.896 0.405 6.523 1.00 0.53 O ATOM 703 CB ILE A 44 -3.167 2.255 7.191 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.607 2.552 6.740 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.779 3.033 8.459 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.818 4.003 6.313 1.00 1.27 C ATOM 0 H ILE A 44 -2.589 1.222 4.675 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.933 3.569 6.247 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.230 1.179 7.354 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.863 1.895 5.909 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.292 2.317 7.555 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.549 2.898 9.218 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.827 2.661 8.837 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.685 4.093 8.221 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.854 4.145 6.007 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.593 4.665 7.149 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.158 4.236 5.478 1.00 1.27 H new ATOM 718 N PHE A 45 0.190 2.263 7.042 1.00 0.42 N ATOM 719 CA PHE A 45 1.350 1.716 7.677 1.00 0.46 C ATOM 720 C PHE A 45 1.627 2.488 8.920 1.00 0.68 C ATOM 721 O PHE A 45 1.540 3.714 8.903 1.00 1.50 O ATOM 722 CB PHE A 45 2.553 1.738 6.718 1.00 0.56 C ATOM 723 CG PHE A 45 3.850 1.387 7.363 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.004 0.152 7.949 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.856 2.319 7.442 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.146 -0.163 8.647 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.024 1.964 8.075 1.00 1.33 C ATOM 728 CZ PHE A 45 6.186 0.735 8.668 1.00 1.02 C ATOM 0 H PHE A 45 0.272 3.276 6.951 1.00 0.42 H new ATOM 0 HA PHE A 45 1.171 0.674 7.942 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.366 1.042 5.901 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.635 2.732 6.278 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.216 -0.581 7.859 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.733 3.305 7.018 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.225 -1.104 9.172 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.839 2.672 8.107 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.120 0.478 9.145 1.00 1.02 H new ATOM 738 N ALA A 46 1.945 1.764 10.008 1.00 0.81 N ATOM 739 CA ALA A 46 2.330 2.354 11.252 1.00 0.96 C ATOM 740 C ALA A 46 1.367 3.343 11.812 1.00 0.97 C ATOM 741 O ALA A 46 1.722 4.283 12.522 1.00 1.21 O ATOM 742 CB ALA A 46 3.814 2.744 11.136 1.00 1.20 C ATOM 0 H ALA A 46 1.934 0.744 10.023 1.00 0.81 H new ATOM 0 HA ALA A 46 2.260 1.633 12.066 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.145 3.199 12.070 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.410 1.853 10.935 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.940 3.456 10.321 1.00 1.20 H new ATOM 748 N GLY A 47 0.056 3.166 11.565 1.00 0.99 N ATOM 749 CA GLY A 47 -1.000 4.058 11.927 1.00 1.10 C ATOM 750 C GLY A 47 -1.206 5.212 11.008 1.00 1.03 C ATOM 751 O GLY A 47 -2.284 5.797 10.902 1.00 1.30 O ATOM 0 H GLY A 47 -0.288 2.339 11.077 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.929 3.490 11.983 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.800 4.443 12.927 1.00 1.10 H new ATOM 755 N LYS A 48 -0.233 5.630 10.180 1.00 0.98 N ATOM 756 CA LYS A 48 -0.141 6.689 9.224 1.00 1.05 C ATOM 757 C LYS A 48 -0.683 6.259 7.904 1.00 0.84 C ATOM 758 O LYS A 48 -0.419 5.160 7.419 1.00 0.81 O ATOM 759 CB LYS A 48 1.276 7.227 8.962 1.00 1.42 C ATOM 760 CG LYS A 48 2.075 7.356 10.260 1.00 1.61 C ATOM 761 CD LYS A 48 3.467 7.943 10.018 1.00 1.87 C ATOM 762 CE LYS A 48 4.351 7.454 11.168 1.00 2.22 C ATOM 763 NZ LYS A 48 5.661 8.141 11.129 1.00 2.55 N ATOM 0 H LYS A 48 0.652 5.122 10.192 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.722 7.490 9.681 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.799 6.560 8.276 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.213 8.200 8.474 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.530 7.990 10.960 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.171 6.375 10.726 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.864 7.616 9.057 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.430 9.032 9.993 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.859 7.645 12.122 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.494 6.376 11.094 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.254 7.802 11.913 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.133 7.937 10.225 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.518 9.167 11.221 1.00 2.55 H new ATOM 777 N GLN A 49 -1.460 7.192 7.323 1.00 0.84 N ATOM 778 CA GLN A 49 -1.859 7.031 5.959 1.00 0.80 C ATOM 779 C GLN A 49 -0.837 7.584 5.026 1.00 0.72 C ATOM 780 O GLN A 49 -0.442 8.747 5.084 1.00 0.83 O ATOM 781 CB GLN A 49 -3.141 7.841 5.702 1.00 1.03 C ATOM 782 CG GLN A 49 -3.795 7.629 4.336 1.00 1.67 C ATOM 783 CD GLN A 49 -5.187 8.243 4.310 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.120 7.771 4.958 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.265 9.335 3.502 1.00 2.48 N ATOM 0 H GLN A 49 -1.804 8.035 7.782 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.998 5.963 5.789 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.868 7.592 6.475 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -2.908 8.900 5.813 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.178 8.078 3.557 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.857 6.563 4.118 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.438 9.658 3.000 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.151 9.830 3.398 1.00 2.48 H new ATOM 794 N LEU A 50 -0.413 6.781 4.034 1.00 0.69 N ATOM 795 CA LEU A 50 0.614 7.110 3.094 1.00 0.66 C ATOM 796 C LEU A 50 -0.074 7.901 2.035 1.00 0.72 C ATOM 797 O LEU A 50 -1.107 7.513 1.492 1.00 0.90 O ATOM 798 CB LEU A 50 1.169 5.779 2.559 1.00 0.65 C ATOM 799 CG LEU A 50 1.468 4.754 3.665 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.174 3.537 3.044 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.383 5.249 4.798 1.00 0.74 C ATOM 0 H LEU A 50 -0.808 5.853 3.880 1.00 0.69 H new ATOM 0 HA LEU A 50 1.446 7.684 3.502 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.451 5.349 1.860 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.083 5.974 1.998 1.00 0.65 H new ATOM 0 HG LEU A 50 0.495 4.531 4.103 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.390 2.805 3.822 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.527 3.086 2.291 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.106 3.856 2.578 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.529 4.449 5.524 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.347 5.544 4.384 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.922 6.105 5.290 1.00 0.74 H new ATOM 813 N GLU A 51 0.406 9.106 1.681 1.00 0.70 N ATOM 814 CA GLU A 51 -0.124 9.892 0.610 1.00 0.76 C ATOM 815 C GLU A 51 0.389 9.518 -0.738 1.00 0.77 C ATOM 816 O GLU A 51 1.584 9.238 -0.812 1.00 1.23 O ATOM 817 CB GLU A 51 0.165 11.386 0.836 1.00 0.88 C ATOM 818 CG GLU A 51 -0.551 12.334 -0.128 1.00 1.35 C ATOM 819 CD GLU A 51 0.097 13.704 0.008 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.101 14.363 1.063 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.728 14.156 -0.984 1.00 1.89 O ATOM 0 H GLU A 51 1.191 9.549 2.157 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.195 9.690 0.621 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.119 11.646 1.856 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.239 11.550 0.753 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.469 11.972 -1.153 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.614 12.388 0.107 1.00 1.35 H new ATOM 828 N ASP A 52 -0.524 9.484 -1.725 1.00 0.66 N ATOM 829 CA ASP A 52 -0.403 9.131 -3.105 1.00 0.65 C ATOM 830 C ASP A 52 0.838 9.536 -3.824 1.00 0.60 C ATOM 831 O ASP A 52 1.674 8.681 -4.109 1.00 0.62 O ATOM 832 CB ASP A 52 -1.491 9.866 -3.904 1.00 0.81 C ATOM 833 CG ASP A 52 -2.861 9.433 -3.402 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.421 8.349 -3.717 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.408 10.283 -2.650 1.00 1.44 O ATOM 0 H ASP A 52 -1.488 9.744 -1.517 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.447 8.043 -3.065 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.374 10.944 -3.793 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.392 9.642 -4.966 1.00 0.81 H new ATOM 840 N GLY A 53 1.030 10.828 -4.145 1.00 0.68 N ATOM 841 CA GLY A 53 2.230 11.292 -4.770 1.00 0.73 C ATOM 842 C GLY A 53 3.427 11.640 -3.954 1.00 0.72 C ATOM 843 O GLY A 53 4.067 12.683 -4.080 1.00 0.97 O ATOM 0 H GLY A 53 0.343 11.561 -3.968 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.538 10.526 -5.481 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.968 12.177 -5.349 1.00 0.73 H new ATOM 847 N ARG A 54 3.877 10.737 -3.064 1.00 0.64 N ATOM 848 CA ARG A 54 5.097 10.853 -2.327 1.00 0.63 C ATOM 849 C ARG A 54 5.820 9.557 -2.459 1.00 0.59 C ATOM 850 O ARG A 54 5.182 8.536 -2.704 1.00 0.62 O ATOM 851 CB ARG A 54 4.817 10.928 -0.815 1.00 0.69 C ATOM 852 CG ARG A 54 3.956 12.079 -0.291 1.00 0.82 C ATOM 853 CD ARG A 54 4.430 13.520 -0.489 1.00 1.18 C ATOM 854 NE ARG A 54 3.270 14.365 -0.087 1.00 1.50 N ATOM 855 CZ ARG A 54 3.328 15.475 0.705 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.465 16.048 1.199 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.173 16.052 1.148 1.00 2.49 N ATOM 0 H ARG A 54 3.363 9.883 -2.848 1.00 0.64 H new ATOM 0 HA ARG A 54 5.631 11.729 -2.694 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.339 9.994 -0.519 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.777 10.971 -0.301 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.974 11.991 -0.755 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.818 11.924 0.779 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.306 13.735 0.123 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.712 13.704 -1.526 1.00 1.18 H new ATOM 0 HE ARG A 54 2.351 14.089 -0.435 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.376 15.643 0.982 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.403 16.881 1.785 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.271 15.653 0.887 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.212 16.882 1.740 1.00 2.49 H new ATOM 871 N THR A 55 7.144 9.359 -2.324 1.00 0.63 N ATOM 872 CA THR A 55 7.759 8.070 -2.399 1.00 0.61 C ATOM 873 C THR A 55 7.702 7.230 -1.170 1.00 0.59 C ATOM 874 O THR A 55 7.183 7.624 -0.126 1.00 0.64 O ATOM 875 CB THR A 55 9.148 8.052 -2.965 1.00 0.68 C ATOM 876 OG1 THR A 55 10.097 8.608 -2.068 1.00 0.75 O ATOM 877 CG2 THR A 55 9.175 8.822 -4.296 1.00 0.76 C ATOM 0 H THR A 55 7.806 10.117 -2.158 1.00 0.63 H new ATOM 0 HA THR A 55 7.096 7.598 -3.124 1.00 0.61 H new ATOM 0 HB THR A 55 9.424 7.011 -3.131 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.989 8.576 -2.474 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.185 8.807 -4.705 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.491 8.352 -5.002 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.868 9.854 -4.126 1.00 0.76 H new ATOM 885 N LEU A 56 8.087 5.946 -1.280 1.00 0.58 N ATOM 886 CA LEU A 56 8.270 5.016 -0.209 1.00 0.59 C ATOM 887 C LEU A 56 9.379 5.489 0.666 1.00 0.64 C ATOM 888 O LEU A 56 9.205 5.598 1.879 1.00 0.70 O ATOM 889 CB LEU A 56 8.511 3.615 -0.798 1.00 0.60 C ATOM 890 CG LEU A 56 7.285 3.002 -1.495 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.823 2.152 -2.657 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.248 2.293 -0.607 1.00 1.03 C ATOM 0 H LEU A 56 8.285 5.527 -2.189 1.00 0.58 H new ATOM 0 HA LEU A 56 7.380 4.950 0.417 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.331 3.671 -1.514 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.831 2.947 0.002 1.00 0.60 H new ATOM 0 HG LEU A 56 6.658 3.817 -1.858 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.989 1.692 -3.188 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.384 2.787 -3.343 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.478 1.374 -2.266 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.439 1.909 -1.228 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.725 1.466 -0.080 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.845 3.001 0.118 1.00 1.03 H new ATOM 904 N SER A 57 10.562 5.860 0.146 1.00 0.68 N ATOM 905 CA SER A 57 11.689 6.385 0.856 1.00 0.75 C ATOM 906 C SER A 57 11.334 7.616 1.617 1.00 0.76 C ATOM 907 O SER A 57 11.862 7.802 2.712 1.00 0.84 O ATOM 908 CB SER A 57 12.805 6.799 -0.117 1.00 0.84 C ATOM 909 OG SER A 57 13.917 7.356 0.571 1.00 1.19 O ATOM 0 H SER A 57 10.745 5.786 -0.855 1.00 0.68 H new ATOM 0 HA SER A 57 12.015 5.592 1.529 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.129 5.931 -0.691 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.416 7.526 -0.830 1.00 0.84 H new ATOM 0 HG SER A 57 14.609 7.607 -0.076 1.00 1.19 H new ATOM 915 N ASP A 58 10.519 8.531 1.066 1.00 0.75 N ATOM 916 CA ASP A 58 9.923 9.609 1.793 1.00 0.78 C ATOM 917 C ASP A 58 9.199 9.245 3.043 1.00 0.77 C ATOM 918 O ASP A 58 9.213 9.995 4.018 1.00 0.86 O ATOM 919 CB ASP A 58 8.931 10.266 0.818 1.00 0.83 C ATOM 920 CG ASP A 58 9.037 11.772 1.010 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.562 12.223 2.087 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.648 12.530 0.212 1.00 1.90 O ATOM 0 H ASP A 58 10.265 8.521 0.078 1.00 0.75 H new ATOM 0 HA ASP A 58 10.731 10.255 2.136 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.165 9.992 -0.211 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.915 9.924 1.015 1.00 0.83 H new ATOM 927 N TYR A 59 8.606 8.042 3.152 1.00 0.72 N ATOM 928 CA TYR A 59 8.075 7.658 4.423 1.00 0.73 C ATOM 929 C TYR A 59 8.933 6.739 5.222 1.00 0.76 C ATOM 930 O TYR A 59 8.509 6.301 6.291 1.00 0.89 O ATOM 931 CB TYR A 59 6.768 6.879 4.191 1.00 0.73 C ATOM 932 CG TYR A 59 5.602 7.766 3.917 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.124 8.577 4.920 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.975 7.799 2.694 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.051 9.408 4.701 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.918 8.650 2.470 1.00 0.70 C ATOM 937 CZ TYR A 59 3.425 9.444 3.478 1.00 0.74 C ATOM 938 OH TYR A 59 2.289 10.281 3.432 1.00 0.86 O ATOM 0 H TYR A 59 8.497 7.363 2.399 1.00 0.72 H new ATOM 0 HA TYR A 59 7.968 8.593 4.973 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.903 6.196 3.352 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.555 6.268 5.068 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.597 8.561 5.891 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.316 7.150 1.901 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.695 10.041 5.501 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.469 8.695 1.489 1.00 0.70 H new ATOM 0 HH TYR A 59 2.425 10.981 2.759 1.00 0.86 H new ATOM 948 N ASN A 60 10.157 6.537 4.702 1.00 0.74 N ATOM 949 CA ASN A 60 11.133 5.585 5.134 1.00 0.79 C ATOM 950 C ASN A 60 10.698 4.165 5.261 1.00 0.75 C ATOM 951 O ASN A 60 10.781 3.536 6.315 1.00 0.86 O ATOM 952 CB ASN A 60 11.965 5.986 6.364 1.00 0.95 C ATOM 953 CG ASN A 60 12.564 7.362 6.111 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.924 8.411 6.157 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.889 7.328 5.805 1.00 1.83 N ATOM 0 H ASN A 60 10.491 7.088 3.911 1.00 0.74 H new ATOM 0 HA ASN A 60 11.783 5.624 4.260 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.339 6.003 7.256 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.754 5.256 6.542 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.388 8.194 5.603 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.383 6.436 5.778 1.00 1.83 H new ATOM 962 N ILE A 61 10.195 3.575 4.163 1.00 0.67 N ATOM 963 CA ILE A 61 9.700 2.234 4.155 1.00 0.65 C ATOM 964 C ILE A 61 10.746 1.291 3.668 1.00 0.66 C ATOM 965 O ILE A 61 11.346 1.455 2.607 1.00 0.75 O ATOM 966 CB ILE A 61 8.431 2.185 3.356 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.344 2.956 4.124 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.827 0.808 3.029 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.211 3.522 3.270 1.00 0.82 C ATOM 0 H ILE A 61 10.131 4.041 3.258 1.00 0.67 H new ATOM 0 HA ILE A 61 9.460 1.911 5.168 1.00 0.65 H new ATOM 0 HB ILE A 61 8.728 2.608 2.396 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.914 2.292 4.874 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.817 3.779 4.660 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.914 0.940 2.448 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.544 0.224 2.452 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.594 0.283 3.956 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.500 4.046 3.909 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.620 4.217 2.537 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.703 2.708 2.754 1.00 0.82 H new ATOM 981 N GLN A 62 10.971 0.188 4.405 1.00 0.67 N ATOM 982 CA GLN A 62 12.051 -0.737 4.262 1.00 0.70 C ATOM 983 C GLN A 62 11.714 -1.958 3.477 1.00 0.62 C ATOM 984 O GLN A 62 10.697 -2.072 2.792 1.00 0.64 O ATOM 985 CB GLN A 62 12.578 -1.100 5.660 1.00 0.85 C ATOM 986 CG GLN A 62 12.996 0.086 6.532 1.00 1.27 C ATOM 987 CD GLN A 62 13.829 -0.454 7.685 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.995 -0.106 7.862 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.276 -1.283 8.611 1.00 2.16 N ATOM 0 H GLN A 62 10.343 -0.077 5.164 1.00 0.67 H new ATOM 0 HA GLN A 62 12.826 -0.242 3.677 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.806 -1.662 6.186 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.434 -1.765 5.546 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.572 0.805 5.949 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.118 0.611 6.908 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.311 -1.596 8.503 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.826 -1.591 9.413 1.00 2.16 H new ATOM 998 N LYS A 63 12.649 -2.925 3.468 1.00 0.64 N ATOM 999 CA LYS A 63 12.358 -4.166 2.821 1.00 0.62 C ATOM 1000 C LYS A 63 11.570 -5.125 3.644 1.00 0.59 C ATOM 1001 O LYS A 63 11.786 -5.188 4.854 1.00 0.66 O ATOM 1002 CB LYS A 63 13.742 -4.688 2.405 1.00 0.74 C ATOM 1003 CG LYS A 63 14.577 -5.207 3.578 1.00 0.89 C ATOM 1004 CD LYS A 63 15.980 -5.636 3.143 1.00 1.11 C ATOM 1005 CE LYS A 63 16.788 -6.318 4.250 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.001 -6.868 3.605 1.00 2.12 N ATOM 0 H LYS A 63 13.574 -2.854 3.892 1.00 0.64 H new ATOM 0 HA LYS A 63 11.691 -4.032 1.969 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.615 -5.489 1.677 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.289 -3.888 1.906 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.656 -4.430 4.338 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.067 -6.053 4.039 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.895 -6.317 2.296 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.526 -4.759 2.795 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.053 -5.606 5.032 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.207 -7.110 4.723 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.588 -7.345 4.319 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.725 -7.551 2.871 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.544 -6.095 3.171 1.00 2.12 H new ATOM 1020 N GLU A 64 10.639 -5.916 3.081 1.00 0.57 N ATOM 1021 CA GLU A 64 9.845 -6.893 3.760 1.00 0.58 C ATOM 1022 C GLU A 64 8.881 -6.377 4.772 1.00 0.56 C ATOM 1023 O GLU A 64 8.428 -7.108 5.652 1.00 0.70 O ATOM 1024 CB GLU A 64 10.644 -8.086 4.310 1.00 0.72 C ATOM 1025 CG GLU A 64 11.371 -8.786 3.159 1.00 0.96 C ATOM 1026 CD GLU A 64 11.913 -10.174 3.470 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.212 -10.892 4.231 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.956 -10.587 2.897 1.00 1.69 O ATOM 0 H GLU A 64 10.427 -5.869 2.084 1.00 0.57 H new ATOM 0 HA GLU A 64 9.224 -7.261 2.943 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.363 -7.744 5.054 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.975 -8.786 4.811 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.686 -8.864 2.315 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.200 -8.155 2.840 1.00 0.96 H new ATOM 1035 N SER A 65 8.510 -5.089 4.668 1.00 0.51 N ATOM 1036 CA SER A 65 7.689 -4.380 5.599 1.00 0.51 C ATOM 1037 C SER A 65 6.233 -4.567 5.342 1.00 0.43 C ATOM 1038 O SER A 65 5.875 -4.674 4.170 1.00 0.50 O ATOM 1039 CB SER A 65 8.034 -2.882 5.648 1.00 0.65 C ATOM 1040 OG SER A 65 7.401 -2.227 6.739 1.00 1.04 O ATOM 0 H SER A 65 8.802 -4.506 3.884 1.00 0.51 H new ATOM 0 HA SER A 65 7.909 -4.814 6.574 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.114 -2.761 5.729 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.730 -2.409 4.714 1.00 0.65 H new ATOM 0 HG SER A 65 7.645 -1.278 6.737 1.00 1.04 H new ATOM 1046 N THR A 66 5.330 -4.522 6.338 1.00 0.45 N ATOM 1047 CA THR A 66 3.938 -4.766 6.120 1.00 0.45 C ATOM 1048 C THR A 66 3.101 -3.535 6.168 1.00 0.43 C ATOM 1049 O THR A 66 2.943 -2.852 7.179 1.00 0.58 O ATOM 1050 CB THR A 66 3.352 -5.918 6.882 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.133 -7.104 6.846 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.977 -6.218 6.262 1.00 0.78 C ATOM 0 H THR A 66 5.569 -4.314 7.307 1.00 0.45 H new ATOM 0 HA THR A 66 3.907 -5.109 5.086 1.00 0.45 H new ATOM 0 HB THR A 66 3.300 -5.624 7.930 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.687 -7.805 7.365 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.515 -7.053 6.789 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.340 -5.338 6.347 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.101 -6.476 5.210 1.00 0.78 H new ATOM 1060 N LEU A 67 2.487 -3.197 5.020 1.00 0.38 N ATOM 1061 CA LEU A 67 1.552 -2.117 4.960 1.00 0.38 C ATOM 1062 C LEU A 67 0.221 -2.788 4.967 1.00 0.37 C ATOM 1063 O LEU A 67 0.067 -3.960 4.623 1.00 0.50 O ATOM 1064 CB LEU A 67 1.625 -1.309 3.654 1.00 0.46 C ATOM 1065 CG LEU A 67 3.043 -1.249 3.063 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.077 -0.428 1.764 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.007 -0.547 4.034 1.00 1.31 C ATOM 0 H LEU A 67 2.639 -3.673 4.131 1.00 0.38 H new ATOM 0 HA LEU A 67 1.747 -1.424 5.778 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.950 -1.752 2.921 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.272 -0.295 3.841 1.00 0.46 H new ATOM 0 HG LEU A 67 3.340 -2.281 2.878 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.095 -0.406 1.374 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.415 -0.884 1.028 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.745 0.590 1.968 1.00 1.40 H new ATOM 0 HD21 LEU A 67 5.005 -0.515 3.597 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.660 0.469 4.220 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.041 -1.097 4.975 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.879 -2.064 5.240 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.244 -2.488 5.271 1.00 0.37 C ATOM 1081 C HIS A 68 -3.001 -1.621 4.326 1.00 0.35 C ATOM 1082 O HIS A 68 -2.891 -0.396 4.294 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.830 -2.113 6.643 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.106 -2.854 7.728 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.055 -2.288 8.422 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.223 -4.116 8.222 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.612 -3.171 9.357 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.311 -4.285 9.244 1.00 1.51 N ATOM 0 H HIS A 68 -0.799 -1.072 5.463 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.306 -3.553 5.047 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.743 -1.038 6.804 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.893 -2.354 6.672 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.918 -4.865 7.871 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.178 -2.991 10.071 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.197 -5.124 9.813 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.848 -2.326 3.553 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.727 -1.760 2.579 1.00 0.38 C ATOM 1098 C LEU A 69 -6.102 -1.584 3.127 1.00 0.41 C ATOM 1099 O LEU A 69 -6.643 -2.528 3.701 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.863 -2.709 1.376 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.765 -2.284 0.206 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.339 -0.895 -0.298 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.732 -3.336 -0.916 1.00 1.14 C ATOM 0 H LEU A 69 -3.922 -3.342 3.612 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.302 -0.798 2.292 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.864 -2.885 0.978 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.231 -3.665 1.748 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.797 -2.217 0.551 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.980 -0.596 -1.127 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.431 -0.170 0.511 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.303 -0.932 -0.635 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.377 -3.016 -1.734 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.711 -3.447 -1.281 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.085 -4.292 -0.529 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.734 -0.410 2.947 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.079 -0.226 3.395 1.00 0.56 C ATOM 1117 C VAL A 70 -8.685 0.642 2.346 1.00 0.55 C ATOM 1118 O VAL A 70 -8.009 1.246 1.513 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.071 0.381 4.767 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.597 -0.584 5.867 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.448 1.784 4.865 1.00 0.97 C ATOM 0 H VAL A 70 -6.318 0.405 2.496 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.656 -1.144 3.505 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.127 0.560 4.969 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.618 -0.075 6.831 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.257 -1.451 5.900 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.580 -0.911 5.651 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.492 2.131 5.897 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.408 1.744 4.540 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.001 2.473 4.227 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.027 0.677 2.277 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.640 1.402 1.208 1.00 0.84 C ATOM 1133 C LEU A 71 -11.021 2.790 1.594 1.00 0.85 C ATOM 1134 O LEU A 71 -10.976 3.257 2.731 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.844 0.585 0.710 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.483 -0.798 0.145 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.824 -1.462 -0.208 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.475 -0.706 -1.013 1.00 2.78 C ATOM 0 H LEU A 71 -10.666 0.224 2.931 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.919 1.528 0.400 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.546 0.455 1.534 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.361 1.156 -0.062 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.952 -1.418 0.867 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.641 -2.455 -0.618 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.436 -1.547 0.690 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.347 -0.855 -0.947 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.250 -1.707 -1.380 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.902 -0.111 -1.820 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.558 -0.234 -0.660 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.335 3.581 0.553 1.00 0.92 N ATOM 1151 CA ARG A 72 -11.794 4.935 0.558 1.00 1.10 C ATOM 1152 C ARG A 72 -13.197 5.018 1.056 1.00 1.35 C ATOM 1153 O ARG A 72 -14.060 4.281 0.581 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.927 5.553 -0.844 1.00 1.34 C ATOM 1155 CG ARG A 72 -12.190 7.050 -1.025 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.781 7.559 -2.408 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.728 7.006 -3.417 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.610 7.208 -4.763 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -11.661 7.974 -5.375 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.515 6.569 -5.561 1.00 3.75 N ATOM 0 H ARG A 72 -11.257 3.227 -0.400 1.00 0.92 H new ATOM 0 HA ARG A 72 -11.052 5.449 1.169 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.008 5.323 -1.382 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.734 5.024 -1.351 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -13.250 7.250 -0.868 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.644 7.605 -0.262 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -11.798 8.649 -2.430 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.761 7.251 -2.638 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.511 6.443 -3.083 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -10.957 8.457 -4.816 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.655 8.064 -6.391 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -14.233 5.976 -5.145 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -13.473 6.685 -6.574 1.00 3.75 H new ATOM 1174 N LEU A 73 -13.473 5.943 1.992 1.00 1.54 N ATOM 1175 CA LEU A 73 -14.762 6.313 2.487 1.00 1.93 C ATOM 1176 C LEU A 73 -15.275 7.479 1.713 1.00 2.13 C ATOM 1177 O LEU A 73 -15.275 8.607 2.205 1.00 2.57 O ATOM 1178 CB LEU A 73 -14.684 6.577 4.000 1.00 2.23 C ATOM 1179 CG LEU A 73 -14.474 5.297 4.827 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -13.777 5.599 6.165 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -15.821 4.609 5.105 1.00 3.14 C ATOM 0 H LEU A 73 -12.728 6.477 2.440 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.474 5.499 2.349 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -13.866 7.270 4.200 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -15.602 7.066 4.325 1.00 2.23 H new ATOM 0 HG LEU A 73 -13.836 4.634 4.242 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -13.645 4.672 6.724 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -12.803 6.050 5.974 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -14.389 6.289 6.746 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -15.654 3.705 5.691 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -16.468 5.287 5.661 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.297 4.346 4.160 1.00 3.14 H new ATOM 1193 N ARG A 74 -15.774 7.220 0.492 1.00 2.32 N ATOM 1194 CA ARG A 74 -16.389 8.263 -0.269 1.00 2.55 C ATOM 1195 C ARG A 74 -17.846 8.237 0.041 1.00 2.58 C ATOM 1196 O ARG A 74 -18.429 9.252 0.421 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.093 8.082 -1.767 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.876 9.044 -2.664 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.672 10.549 -2.488 1.00 4.67 C ATOM 1200 NE ARG A 74 -15.214 10.851 -2.469 1.00 5.36 N ATOM 1201 CZ ARG A 74 -14.382 10.762 -3.548 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -14.811 11.101 -4.798 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -13.044 10.595 -3.341 1.00 6.80 N ATOM 0 H ARG A 74 -15.754 6.307 0.038 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.987 9.241 -0.004 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.026 8.225 -1.938 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.328 7.057 -2.055 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -16.638 8.798 -3.699 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -17.937 8.836 -2.523 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -17.156 11.090 -3.301 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.136 10.884 -1.561 1.00 4.67 H new ATOM 0 HE ARG A 74 -14.806 11.147 -1.582 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.767 11.427 -4.938 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -14.175 11.028 -5.592 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -12.678 10.538 -2.391 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -12.409 10.527 -4.137 1.00 6.80 H new ATOM 1217 N GLY A 75 -18.470 7.076 -0.225 1.00 2.73 N ATOM 1218 CA GLY A 75 -19.868 6.792 -0.120 1.00 3.22 C ATOM 1219 C GLY A 75 -20.200 5.376 -0.446 1.00 3.16 C ATOM 1220 O GLY A 75 -20.297 4.569 0.477 1.00 3.57 O ATOM 0 H GLY A 75 -17.945 6.261 -0.543 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -20.203 7.014 0.893 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -20.419 7.452 -0.790 1.00 3.22 H new ATOM 1224 N GLY A 76 -20.520 5.054 -1.712 1.00 3.14 N ATOM 1225 CA GLY A 76 -20.845 3.782 -2.278 1.00 3.37 C ATOM 1226 C GLY A 76 -19.811 2.721 -1.930 1.00 3.48 C ATOM 1227 O GLY A 76 -18.591 3.021 -1.813 1.00 3.87 O ATOM 1228 OXT GLY A 76 -20.223 1.547 -1.736 1.00 3.70 O ATOM 0 H GLY A 76 -20.554 5.782 -2.426 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -21.824 3.465 -1.919 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.918 3.875 -3.362 1.00 3.37 H new TER 1232 GLY A 76