USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 136:sc= 1.06 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.9 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -140:sc= 1.08 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 90:sc= 0.921 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.19 (180deg=2.05) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.937 (180deg=0.321) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.0601 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.704 K(o=0.7,f=-0.89) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.99 (180deg=1.94) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 0.307 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00608 K(o=-0.0061,f=-1.2) 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=-0.61) USER MOD Single : A 41 GLN : amide:sc= 0.0122 K(o=0.012,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.05 K(o=1.1,f=-0.8) USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0889 USER MOD Single : A 60 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.04) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 64:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.075 -6.893 -4.173 1.00 9.67 N ATOM 2 CA MET A 1 12.000 -7.299 -2.714 1.00 10.38 C ATOM 3 C MET A 1 10.605 -7.542 -2.346 1.00 9.62 C ATOM 4 O MET A 1 9.697 -7.101 -3.030 1.00 9.62 O ATOM 5 CB MET A 1 12.596 -6.258 -1.791 1.00 13.77 C ATOM 6 CG MET A 1 11.948 -4.826 -1.937 1.00 16.29 C ATOM 7 SD MET A 1 12.506 -3.668 -0.700 1.00 17.17 S ATOM 8 CE MET A 1 11.133 -2.563 -0.334 1.00 16.11 C ATOM 0 H1 MET A 1 13.040 -6.574 -4.395 1.00 9.67 H new ATOM 0 H2 MET A 1 11.833 -7.707 -4.773 1.00 9.67 H new ATOM 0 H3 MET A 1 11.404 -6.119 -4.353 1.00 9.67 H new ATOM 0 HA MET A 1 12.588 -8.209 -2.598 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.483 -6.594 -0.760 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.666 -6.183 -1.986 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.179 -4.430 -2.926 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.864 -4.918 -1.876 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.440 -1.839 0.421 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.837 -2.037 -1.242 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.289 -3.143 0.041 1.00 16.11 H new ATOM 20 N GLN A 2 10.412 -8.219 -1.205 1.00 9.27 N ATOM 21 CA GLN A 2 9.074 -8.542 -0.750 1.00 9.07 C ATOM 22 C GLN A 2 8.495 -7.477 0.175 1.00 8.72 C ATOM 23 O GLN A 2 9.225 -7.005 1.037 1.00 8.22 O ATOM 24 CB GLN A 2 9.118 -9.831 0.053 1.00 14.46 C ATOM 25 CG GLN A 2 7.708 -10.574 0.166 1.00 17.01 C ATOM 26 CD GLN A 2 7.913 -12.065 0.281 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.963 -12.815 1.301 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.156 -12.690 -0.864 1.00 19.49 N ATOM 0 H GLN A 2 11.162 -8.545 -0.595 1.00 9.27 H new ATOM 0 HA GLN A 2 8.453 -8.621 -1.642 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.838 -10.508 -0.406 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.482 -9.610 1.056 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.163 -10.206 1.036 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.099 -10.350 -0.710 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.139 -12.171 -1.742 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.360 -13.689 -0.866 1.00 19.49 H new ATOM 37 N ILE A 3 7.182 -7.141 -0.011 1.00 5.87 N ATOM 38 CA ILE A 3 6.463 -6.431 0.976 1.00 5.07 C ATOM 39 C ILE A 3 5.151 -7.214 1.161 1.00 4.01 C ATOM 40 O ILE A 3 4.616 -7.894 0.290 1.00 4.61 O ATOM 41 CB ILE A 3 6.050 -4.941 0.745 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.241 -4.761 -0.520 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.275 -4.036 0.835 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.655 -3.383 -0.740 1.00 10.83 C ATOM 0 H ILE A 3 6.644 -7.370 -0.847 1.00 5.87 H new ATOM 0 HA ILE A 3 7.161 -6.364 1.810 1.00 5.07 H new ATOM 0 HB ILE A 3 5.375 -4.635 1.544 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.876 -5.005 -1.372 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.426 -5.484 -0.513 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.975 -3.001 0.672 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.727 -4.132 1.822 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.999 -4.328 0.075 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.096 -3.370 -1.676 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.987 -3.136 0.085 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.459 -2.649 -0.788 1.00 10.83 H new ATOM 56 N PHE A 4 4.561 -7.018 2.375 1.00 4.55 N ATOM 57 CA PHE A 4 3.369 -7.642 2.855 1.00 4.68 C ATOM 58 C PHE A 4 2.329 -6.535 3.124 1.00 5.30 C ATOM 59 O PHE A 4 2.608 -5.508 3.761 1.00 5.58 O ATOM 60 CB PHE A 4 3.591 -8.421 4.205 1.00 4.83 C ATOM 61 CG PHE A 4 4.479 -9.581 4.058 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.031 -10.844 3.617 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.800 -9.425 4.443 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.906 -11.925 3.609 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.723 -10.513 4.350 1.00 10.61 C ATOM 66 CZ PHE A 4 6.246 -11.759 3.893 1.00 8.90 C ATOM 0 H PHE A 4 4.957 -6.374 3.060 1.00 4.55 H new ATOM 0 HA PHE A 4 3.042 -8.357 2.100 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.011 -7.741 4.946 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.627 -8.755 4.588 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.011 -10.971 3.286 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.137 -8.470 4.818 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.530 -12.911 3.377 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.760 -10.384 4.623 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.931 -12.584 3.765 1.00 8.90 H new ATOM 76 N VAL A 5 1.099 -6.690 2.600 1.00 4.44 N ATOM 77 CA VAL A 5 -0.016 -5.765 2.794 1.00 3.87 C ATOM 78 C VAL A 5 -1.005 -6.362 3.735 1.00 4.93 C ATOM 79 O VAL A 5 -1.629 -7.397 3.457 1.00 6.84 O ATOM 80 CB VAL A 5 -0.665 -5.600 1.400 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.869 -4.539 1.567 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.344 -4.801 0.498 1.00 9.13 C ATOM 0 H VAL A 5 0.854 -7.488 2.014 1.00 4.44 H new ATOM 0 HA VAL A 5 0.314 -4.812 3.208 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.955 -6.573 1.004 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.359 -4.390 0.605 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.593 -4.920 2.287 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.470 -3.589 1.922 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.084 -4.667 -0.495 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.538 -3.826 0.945 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.279 -5.356 0.418 1.00 9.13 H new ATOM 92 N LYS A 6 -1.207 -5.689 4.906 1.00 6.04 N ATOM 93 CA LYS A 6 -1.999 -6.301 5.981 1.00 6.12 C ATOM 94 C LYS A 6 -3.303 -5.583 6.033 1.00 6.57 C ATOM 95 O LYS A 6 -3.375 -4.377 5.857 1.00 5.76 O ATOM 96 CB LYS A 6 -1.324 -6.267 7.385 1.00 7.45 C ATOM 97 CG LYS A 6 -2.005 -7.093 8.411 1.00 11.12 C ATOM 98 CD LYS A 6 -1.921 -8.604 8.220 1.00 14.54 C ATOM 99 CE LYS A 6 -2.526 -9.561 9.336 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.053 -10.930 9.066 1.00 20.55 N ATOM 0 H LYS A 6 -0.842 -4.759 5.112 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.110 -7.360 5.746 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.293 -6.607 7.288 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.288 -5.235 7.733 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.583 -6.846 9.385 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.057 -6.808 8.438 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.416 -8.844 7.279 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.869 -8.862 8.102 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.210 -9.237 10.328 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.615 -9.524 9.320 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.825 -11.605 9.239 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.746 -11.002 8.075 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.253 -11.151 9.693 1.00 20.55 H new ATOM 114 N THR A 7 -4.424 -6.311 6.244 1.00 7.41 N ATOM 115 CA THR A 7 -5.772 -5.778 6.311 1.00 7.48 C ATOM 116 C THR A 7 -6.334 -5.780 7.737 1.00 8.75 C ATOM 117 O THR A 7 -5.833 -6.525 8.592 1.00 8.58 O ATOM 118 CB THR A 7 -6.786 -6.477 5.366 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.256 -7.705 5.966 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.089 -6.737 3.993 1.00 9.17 C ATOM 0 H THR A 7 -4.395 -7.322 6.375 1.00 7.41 H new ATOM 0 HA THR A 7 -5.658 -4.751 5.965 1.00 7.48 H new ATOM 0 HB THR A 7 -7.656 -5.841 5.203 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.226 -7.776 5.849 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.789 -7.228 3.317 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.772 -5.788 3.560 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.219 -7.377 4.142 1.00 9.17 H new ATOM 128 N LEU A 8 -7.412 -5.059 8.101 1.00 9.84 N ATOM 129 CA LEU A 8 -8.110 -5.096 9.403 1.00 14.15 C ATOM 130 C LEU A 8 -9.123 -6.226 9.492 1.00 17.37 C ATOM 131 O LEU A 8 -9.823 -6.334 10.522 1.00 17.01 O ATOM 132 CB LEU A 8 -8.854 -3.796 9.619 1.00 16.63 C ATOM 133 CG LEU A 8 -7.951 -2.562 9.836 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.770 -1.259 9.946 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.062 -2.770 11.073 1.00 18.59 C ATOM 0 H LEU A 8 -7.845 -4.396 7.458 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.344 -5.253 10.162 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.495 -3.613 8.757 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.508 -3.907 10.484 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.311 -2.455 8.960 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.095 -0.417 10.098 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.338 -1.108 9.028 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.456 -1.331 10.790 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.429 -1.894 11.218 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.690 -2.913 11.952 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.436 -3.650 10.927 1.00 18.59 H new ATOM 147 N THR A 9 -9.221 -7.096 8.443 1.00 18.33 N ATOM 148 CA THR A 9 -9.943 -8.337 8.552 1.00 19.24 C ATOM 149 C THR A 9 -9.064 -9.541 8.790 1.00 19.48 C ATOM 150 O THR A 9 -9.458 -10.694 8.609 1.00 23.14 O ATOM 151 CB THR A 9 -10.777 -8.675 7.244 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.877 -8.531 6.128 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.894 -7.627 7.185 1.00 19.70 C ATOM 0 H THR A 9 -8.800 -6.933 7.528 1.00 18.33 H new ATOM 0 HA THR A 9 -10.590 -8.165 9.412 1.00 19.24 H new ATOM 0 HB THR A 9 -11.201 -9.679 7.233 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.353 -8.733 5.296 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.510 -7.802 6.303 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.511 -7.703 8.080 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.456 -6.631 7.130 1.00 19.70 H new ATOM 161 N GLY A 10 -7.748 -9.321 9.105 1.00 19.43 N ATOM 162 CA GLY A 10 -6.748 -10.322 9.320 1.00 18.74 C ATOM 163 C GLY A 10 -6.070 -10.918 8.116 1.00 17.62 C ATOM 164 O GLY A 10 -5.137 -11.697 8.219 1.00 19.74 O ATOM 0 H GLY A 10 -7.376 -8.377 9.212 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.976 -9.891 9.957 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.207 -11.136 9.881 1.00 18.74 H new ATOM 168 N LYS A 11 -6.503 -10.566 6.882 1.00 13.56 N ATOM 169 CA LYS A 11 -5.828 -11.040 5.653 1.00 11.91 C ATOM 170 C LYS A 11 -4.492 -10.448 5.412 1.00 10.18 C ATOM 171 O LYS A 11 -4.256 -9.312 5.784 1.00 9.10 O ATOM 172 CB LYS A 11 -6.803 -10.711 4.457 1.00 13.43 C ATOM 173 CG LYS A 11 -6.585 -11.493 3.140 1.00 16.69 C ATOM 174 CD LYS A 11 -7.754 -11.208 2.242 1.00 17.92 C ATOM 175 CE LYS A 11 -7.656 -12.089 1.028 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.811 -11.959 0.216 1.00 21.93 N ATOM 0 H LYS A 11 -7.308 -9.962 6.713 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.630 -12.107 5.757 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.824 -10.890 4.793 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.722 -9.647 4.237 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.653 -11.188 2.664 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.506 -12.562 3.338 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.690 -11.394 2.769 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.757 -10.158 1.948 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.769 -11.824 0.452 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.538 -13.128 1.336 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.623 -12.365 -0.723 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.605 -12.464 0.659 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.053 -10.953 0.115 1.00 21.93 H new ATOM 190 N THR A 12 -3.560 -11.268 4.867 1.00 9.63 N ATOM 191 CA THR A 12 -2.229 -10.819 4.511 1.00 9.85 C ATOM 192 C THR A 12 -2.090 -11.017 2.963 1.00 11.66 C ATOM 193 O THR A 12 -2.327 -12.096 2.467 1.00 12.33 O ATOM 194 CB THR A 12 -1.083 -11.698 5.060 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.134 -11.713 6.511 1.00 10.91 O ATOM 196 CG2 THR A 12 0.278 -11.118 4.725 1.00 9.63 C ATOM 0 H THR A 12 -3.728 -12.254 4.670 1.00 9.63 H new ATOM 0 HA THR A 12 -2.140 -9.805 4.901 1.00 9.85 H new ATOM 0 HB THR A 12 -1.209 -12.685 4.616 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.701 -12.454 6.811 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.058 -11.764 5.128 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.387 -11.048 3.643 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.368 -10.124 5.163 1.00 9.63 H new ATOM 204 N ILE A 13 -1.724 -9.949 2.195 1.00 10.42 N ATOM 205 CA ILE A 13 -1.445 -10.037 0.779 1.00 11.84 C ATOM 206 C ILE A 13 0.079 -9.858 0.509 1.00 10.55 C ATOM 207 O ILE A 13 0.669 -8.905 1.002 1.00 11.92 O ATOM 208 CB ILE A 13 -2.321 -9.141 -0.061 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.800 -9.483 0.182 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.835 -9.273 -1.598 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.734 -8.304 -0.170 1.00 16.46 C ATOM 0 H ILE A 13 -1.621 -9.006 2.571 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.712 -11.042 0.453 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.226 -8.091 0.214 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.074 -10.353 -0.416 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.941 -9.757 1.227 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.452 -8.635 -2.231 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.793 -8.965 -1.678 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.933 -10.309 -1.923 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.769 -8.591 0.017 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.479 -7.442 0.446 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.614 -8.046 -1.222 1.00 16.46 H new ATOM 223 N THR A 14 0.813 -10.808 -0.155 1.00 9.39 N ATOM 224 CA THR A 14 2.246 -10.723 -0.400 1.00 9.63 C ATOM 225 C THR A 14 2.586 -10.224 -1.751 1.00 11.20 C ATOM 226 O THR A 14 2.228 -10.825 -2.765 1.00 11.63 O ATOM 227 CB THR A 14 2.991 -12.102 -0.282 1.00 10.38 C ATOM 228 OG1 THR A 14 2.606 -12.751 0.915 1.00 16.30 O ATOM 229 CG2 THR A 14 4.487 -11.832 -0.256 1.00 11.66 C ATOM 0 H THR A 14 0.394 -11.659 -0.531 1.00 9.39 H new ATOM 0 HA THR A 14 2.571 -10.030 0.376 1.00 9.63 H new ATOM 0 HB THR A 14 2.736 -12.741 -1.127 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.039 -12.314 1.678 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.026 -12.776 -0.174 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.781 -11.325 -1.175 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.728 -11.201 0.600 1.00 11.66 H new ATOM 237 N LEU A 15 3.351 -9.074 -1.835 1.00 8.29 N ATOM 238 CA LEU A 15 3.644 -8.372 -3.102 1.00 9.03 C ATOM 239 C LEU A 15 5.165 -8.215 -3.331 1.00 8.59 C ATOM 240 O LEU A 15 6.014 -8.019 -2.456 1.00 7.79 O ATOM 241 CB LEU A 15 2.988 -6.975 -3.216 1.00 11.08 C ATOM 242 CG LEU A 15 1.458 -6.846 -2.931 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.178 -5.340 -2.782 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.588 -7.640 -3.948 1.00 15.27 C ATOM 0 H LEU A 15 3.769 -8.628 -1.019 1.00 8.29 H new ATOM 0 HA LEU A 15 3.207 -9.011 -3.869 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.510 -6.306 -2.532 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.170 -6.604 -4.225 1.00 11.08 H new ATOM 0 HG LEU A 15 1.158 -7.331 -2.002 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.118 -5.185 -2.580 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.767 -4.940 -1.956 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.451 -4.826 -3.704 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.466 -7.514 -3.701 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.772 -7.265 -4.955 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.848 -8.698 -3.901 1.00 15.27 H new ATOM 256 N GLU A 16 5.515 -8.211 -4.631 1.00 11.04 N ATOM 257 CA GLU A 16 6.890 -8.067 -5.029 1.00 11.50 C ATOM 258 C GLU A 16 7.200 -6.691 -5.650 1.00 10.13 C ATOM 259 O GLU A 16 6.494 -6.316 -6.550 1.00 9.83 O ATOM 260 CB GLU A 16 7.216 -9.168 -6.075 1.00 17.22 C ATOM 261 CG GLU A 16 8.517 -9.009 -6.871 1.00 23.33 C ATOM 262 CD GLU A 16 9.697 -9.252 -6.032 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.952 -10.428 -5.615 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.498 -8.282 -5.742 1.00 28.90 O ATOM 0 H GLU A 16 4.856 -8.306 -5.403 1.00 11.04 H new ATOM 0 HA GLU A 16 7.501 -8.161 -4.131 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.250 -10.127 -5.558 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.389 -9.217 -6.784 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.518 -9.704 -7.711 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.568 -8.004 -7.289 1.00 23.33 H new ATOM 271 N VAL A 17 8.168 -5.904 -5.067 1.00 8.99 N ATOM 272 CA VAL A 17 8.288 -4.522 -5.369 1.00 8.85 C ATOM 273 C VAL A 17 9.793 -4.198 -5.407 1.00 8.04 C ATOM 274 O VAL A 17 10.664 -4.845 -4.840 1.00 8.99 O ATOM 275 CB VAL A 17 7.699 -3.630 -4.284 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.160 -3.842 -4.292 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.163 -3.968 -2.910 1.00 10.54 C ATOM 0 H VAL A 17 8.852 -6.249 -4.393 1.00 8.99 H new ATOM 0 HA VAL A 17 7.762 -4.337 -6.305 1.00 8.85 H new ATOM 0 HB VAL A 17 8.013 -2.610 -4.505 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.703 -3.217 -3.525 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.760 -3.569 -5.269 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.936 -4.889 -4.088 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.701 -3.290 -2.193 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.881 -4.994 -2.673 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.247 -3.868 -2.857 1.00 10.54 H new ATOM 287 N GLU A 18 10.020 -3.067 -6.032 1.00 7.29 N ATOM 288 CA GLU A 18 11.325 -2.507 -6.047 1.00 7.08 C ATOM 289 C GLU A 18 11.209 -1.188 -5.339 1.00 6.45 C ATOM 290 O GLU A 18 10.181 -0.533 -5.529 1.00 5.28 O ATOM 291 CB GLU A 18 11.863 -2.196 -7.405 1.00 10.28 C ATOM 292 CG GLU A 18 12.063 -3.466 -8.284 1.00 12.65 C ATOM 293 CD GLU A 18 13.117 -4.353 -7.676 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.108 -3.816 -7.105 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.995 -5.572 -7.859 1.00 18.17 O ATOM 0 H GLU A 18 9.313 -2.528 -6.531 1.00 7.29 H new ATOM 0 HA GLU A 18 11.996 -3.238 -5.596 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.182 -1.513 -7.912 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.816 -1.678 -7.302 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.123 -4.011 -8.370 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.357 -3.177 -9.293 1.00 12.65 H new ATOM 302 N PRO A 19 12.243 -0.640 -4.533 1.00 7.24 N ATOM 303 CA PRO A 19 12.057 0.619 -3.741 1.00 7.07 C ATOM 304 C PRO A 19 11.723 1.921 -4.504 1.00 6.65 C ATOM 305 O PRO A 19 11.161 2.839 -3.933 1.00 6.37 O ATOM 306 CB PRO A 19 13.469 0.713 -3.037 1.00 7.61 C ATOM 307 CG PRO A 19 14.486 -0.044 -3.916 1.00 8.16 C ATOM 308 CD PRO A 19 13.614 -1.213 -4.450 1.00 7.49 C ATOM 0 HA PRO A 19 11.174 0.551 -3.106 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.768 1.754 -2.918 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.428 0.277 -2.039 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.877 0.578 -4.721 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.342 -0.398 -3.342 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.962 -1.556 -5.425 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.646 -2.072 -3.780 1.00 7.49 H new ATOM 316 N SER A 20 12.053 2.017 -5.816 1.00 6.80 N ATOM 317 CA SER A 20 11.903 3.275 -6.570 1.00 6.28 C ATOM 318 C SER A 20 10.588 3.300 -7.250 1.00 8.45 C ATOM 319 O SER A 20 10.370 4.164 -8.098 1.00 7.26 O ATOM 320 CB SER A 20 13.005 3.530 -7.617 1.00 8.57 C ATOM 321 OG SER A 20 14.241 3.361 -6.930 1.00 11.13 O ATOM 0 H SER A 20 12.422 1.241 -6.366 1.00 6.80 H new ATOM 0 HA SER A 20 11.988 4.069 -5.828 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.922 2.832 -8.450 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.924 4.534 -8.034 1.00 8.57 H new ATOM 0 HG SER A 20 14.984 3.510 -7.552 1.00 11.13 H new ATOM 327 N ASP A 21 9.678 2.384 -6.979 1.00 7.50 N ATOM 328 CA ASP A 21 8.403 2.366 -7.666 1.00 7.70 C ATOM 329 C ASP A 21 7.346 3.015 -6.778 1.00 7.08 C ATOM 330 O ASP A 21 7.537 3.292 -5.605 1.00 8.11 O ATOM 331 CB ASP A 21 8.050 0.942 -8.058 1.00 11.00 C ATOM 332 CG ASP A 21 6.815 0.793 -8.928 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.679 1.613 -9.888 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.121 -0.191 -8.711 1.00 18.03 O ATOM 0 H ASP A 21 9.799 1.643 -6.288 1.00 7.50 H new ATOM 0 HA ASP A 21 8.455 2.944 -8.589 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.899 0.507 -8.585 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.906 0.358 -7.149 1.00 11.00 H new ATOM 339 N THR A 22 6.130 3.427 -7.355 1.00 5.37 N ATOM 340 CA THR A 22 5.147 4.257 -6.622 1.00 6.01 C ATOM 341 C THR A 22 4.196 3.511 -5.702 1.00 8.01 C ATOM 342 O THR A 22 3.918 2.311 -5.884 1.00 8.11 O ATOM 343 CB THR A 22 4.378 5.294 -7.358 1.00 8.92 C ATOM 344 OG1 THR A 22 3.565 4.762 -8.380 1.00 10.22 O ATOM 345 CG2 THR A 22 5.366 6.298 -7.987 1.00 9.65 C ATOM 0 H THR A 22 5.846 3.186 -8.304 1.00 5.37 H new ATOM 0 HA THR A 22 5.884 4.801 -6.031 1.00 6.01 H new ATOM 0 HB THR A 22 3.719 5.775 -6.635 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.083 5.489 -8.827 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.811 7.063 -8.530 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.958 6.767 -7.201 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.029 5.774 -8.676 1.00 9.65 H new ATOM 353 N ILE A 23 3.760 4.186 -4.638 1.00 8.32 N ATOM 354 CA ILE A 23 2.603 3.821 -3.784 1.00 9.92 C ATOM 355 C ILE A 23 1.324 3.533 -4.523 1.00 10.01 C ATOM 356 O ILE A 23 0.690 2.529 -4.291 1.00 8.71 O ATOM 357 CB ILE A 23 2.315 4.907 -2.745 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.615 5.309 -1.878 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.110 4.478 -1.855 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.326 4.093 -1.282 1.00 12.30 C ATOM 0 H ILE A 23 4.217 5.042 -4.324 1.00 8.32 H new ATOM 0 HA ILE A 23 2.917 2.890 -3.312 1.00 9.92 H new ATOM 0 HB ILE A 23 2.042 5.818 -3.277 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.312 5.859 -2.510 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.316 5.981 -1.073 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.908 5.254 -1.117 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.229 4.334 -2.480 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.349 3.545 -1.345 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.193 4.423 -0.709 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.641 3.556 -0.626 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.652 3.432 -2.085 1.00 12.30 H new ATOM 372 N GLU A 24 1.033 4.341 -5.607 1.00 9.54 N ATOM 373 CA GLU A 24 0.030 4.057 -6.601 1.00 11.81 C ATOM 374 C GLU A 24 0.079 2.683 -7.195 1.00 11.14 C ATOM 375 O GLU A 24 -0.936 2.044 -7.520 1.00 10.62 O ATOM 376 CB GLU A 24 0.044 5.146 -7.705 1.00 19.24 C ATOM 377 CG GLU A 24 -1.091 5.057 -8.800 1.00 27.76 C ATOM 378 CD GLU A 24 -1.234 6.310 -9.675 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.269 6.675 -10.362 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.241 6.969 -9.617 1.00 34.80 O ATOM 0 H GLU A 24 1.524 5.218 -5.780 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.918 4.080 -6.064 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.024 6.121 -7.223 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.009 5.107 -8.210 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.890 4.201 -9.444 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.042 4.866 -8.304 1.00 27.76 H new ATOM 387 N ASN A 25 1.285 2.200 -7.474 1.00 9.43 N ATOM 388 CA ASN A 25 1.505 0.768 -7.994 1.00 10.96 C ATOM 389 C ASN A 25 1.458 -0.331 -6.952 1.00 9.68 C ATOM 390 O ASN A 25 1.371 -1.529 -7.328 1.00 9.33 O ATOM 391 CB ASN A 25 2.883 0.684 -8.699 1.00 16.78 C ATOM 392 CG ASN A 25 2.847 1.550 -9.979 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.830 1.890 -10.556 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.030 1.900 -10.521 1.00 24.70 N ATOM 0 H ASN A 25 2.145 2.738 -7.365 1.00 9.43 H new ATOM 0 HA ASN A 25 0.664 0.591 -8.665 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.670 1.033 -8.030 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.115 -0.351 -8.951 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.055 2.434 -11.390 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.901 1.631 -10.063 1.00 24.70 H new ATOM 401 N VAL A 26 1.505 0.009 -5.642 1.00 6.52 N ATOM 402 CA VAL A 26 1.206 -0.921 -4.557 1.00 5.53 C ATOM 403 C VAL A 26 -0.384 -1.020 -4.516 1.00 4.42 C ATOM 404 O VAL A 26 -0.934 -2.078 -4.414 1.00 3.40 O ATOM 405 CB VAL A 26 1.622 -0.420 -3.211 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.359 -1.536 -2.170 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.129 -0.134 -3.281 1.00 8.12 C ATOM 0 H VAL A 26 1.754 0.944 -5.320 1.00 6.52 H new ATOM 0 HA VAL A 26 1.735 -1.856 -4.745 1.00 5.53 H new ATOM 0 HB VAL A 26 1.071 0.477 -2.929 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.657 -1.188 -1.181 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.298 -1.784 -2.163 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.937 -2.422 -2.432 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.475 0.235 -2.315 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.662 -1.051 -3.531 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.322 0.618 -4.047 1.00 8.12 H new ATOM 417 N LYS A 27 -1.062 0.101 -4.602 1.00 2.64 N ATOM 418 CA LYS A 27 -2.566 0.027 -4.788 1.00 4.14 C ATOM 419 C LYS A 27 -3.134 -0.727 -6.067 1.00 5.58 C ATOM 420 O LYS A 27 -4.133 -1.410 -6.078 1.00 4.11 O ATOM 421 CB LYS A 27 -3.132 1.461 -4.710 1.00 3.97 C ATOM 422 CG LYS A 27 -2.710 2.090 -3.341 1.00 7.45 C ATOM 423 CD LYS A 27 -3.474 3.421 -2.983 1.00 9.02 C ATOM 424 CE LYS A 27 -3.146 4.681 -3.849 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.081 5.735 -3.458 1.00 15.47 N ATOM 0 H LYS A 27 -0.665 1.039 -4.555 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.908 -0.618 -3.979 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.753 2.063 -5.536 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.218 1.445 -4.800 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.882 1.361 -2.550 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.639 2.292 -3.361 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.544 3.228 -3.057 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.265 3.662 -1.941 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.117 5.001 -3.687 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.245 4.454 -4.910 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.914 6.581 -4.040 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.057 5.404 -3.601 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.939 5.971 -2.455 1.00 15.47 H new ATOM 439 N ALA A 28 -2.424 -0.660 -7.194 1.00 6.61 N ATOM 440 CA ALA A 28 -2.690 -1.400 -8.467 1.00 7.74 C ATOM 441 C ALA A 28 -2.629 -2.847 -8.315 1.00 9.17 C ATOM 442 O ALA A 28 -3.455 -3.578 -8.833 1.00 11.45 O ATOM 443 CB ALA A 28 -1.651 -1.071 -9.610 1.00 7.68 C ATOM 0 H ALA A 28 -1.601 -0.062 -7.266 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.694 -1.067 -8.732 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.902 -1.641 -10.505 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.685 -0.005 -9.837 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.648 -1.339 -9.278 1.00 7.68 H new ATOM 449 N LYS A 29 -1.688 -3.325 -7.499 1.00 8.96 N ATOM 450 CA LYS A 29 -1.464 -4.735 -7.201 1.00 7.90 C ATOM 451 C LYS A 29 -2.623 -5.327 -6.397 1.00 6.92 C ATOM 452 O LYS A 29 -3.195 -6.391 -6.572 1.00 6.87 O ATOM 453 CB LYS A 29 -0.120 -4.904 -6.584 1.00 10.28 C ATOM 454 CG LYS A 29 1.143 -4.951 -7.558 1.00 14.94 C ATOM 455 CD LYS A 29 2.460 -4.621 -6.880 1.00 19.69 C ATOM 456 CE LYS A 29 3.755 -4.631 -7.676 1.00 22.63 C ATOM 457 NZ LYS A 29 4.049 -5.934 -8.335 1.00 24.98 N ATOM 0 H LYS A 29 -1.036 -2.713 -7.009 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.454 -5.318 -8.122 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.030 -4.086 -5.879 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.131 -5.827 -6.004 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.212 -5.946 -7.998 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.983 -4.250 -8.378 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.358 -3.628 -6.442 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.583 -5.322 -6.055 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.708 -3.853 -8.437 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.581 -4.377 -7.011 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.928 -6.330 -7.945 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.265 -6.595 -8.162 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.159 -5.788 -9.359 1.00 24.98 H new ATOM 471 N ILE A 30 -3.025 -4.519 -5.382 1.00 4.57 N ATOM 472 CA ILE A 30 -4.209 -4.775 -4.538 1.00 5.58 C ATOM 473 C ILE A 30 -5.442 -4.657 -5.348 1.00 7.26 C ATOM 474 O ILE A 30 -6.378 -5.448 -5.144 1.00 9.46 O ATOM 475 CB ILE A 30 -4.096 -3.989 -3.232 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.865 -4.434 -2.445 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.399 -4.173 -2.360 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.636 -5.895 -2.162 1.00 2.00 C ATOM 0 H ILE A 30 -2.528 -3.665 -5.129 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.266 -5.804 -4.183 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.989 -2.932 -3.476 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.989 -4.067 -2.980 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.891 -3.919 -1.485 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.300 -3.606 -1.434 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.263 -3.811 -2.917 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.534 -5.229 -2.126 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.714 -6.015 -1.594 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.472 -6.289 -1.585 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.556 -6.440 -3.103 1.00 2.00 H new ATOM 490 N GLN A 31 -5.566 -3.719 -6.299 1.00 7.06 N ATOM 491 CA GLN A 31 -6.694 -3.631 -7.220 1.00 8.67 C ATOM 492 C GLN A 31 -6.891 -4.875 -8.116 1.00 10.90 C ATOM 493 O GLN A 31 -7.959 -5.408 -8.222 1.00 9.63 O ATOM 494 CB GLN A 31 -6.536 -2.485 -8.207 1.00 9.12 C ATOM 495 CG GLN A 31 -7.818 -2.061 -9.021 1.00 10.76 C ATOM 496 CD GLN A 31 -7.332 -0.962 -9.961 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.150 -0.698 -10.259 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.320 -0.240 -10.566 1.00 14.76 N ATOM 0 H GLN A 31 -4.868 -2.990 -6.447 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.541 -3.505 -6.545 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.178 -1.613 -7.659 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.757 -2.756 -8.919 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.231 -2.903 -9.576 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.605 -1.698 -8.360 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.298 -0.429 -10.346 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.080 0.489 -11.238 1.00 14.76 H new ATOM 507 N ASP A 32 -5.715 -5.411 -8.542 1.00 10.93 N ATOM 508 CA ASP A 32 -5.645 -6.607 -9.313 1.00 14.01 C ATOM 509 C ASP A 32 -6.101 -7.797 -8.506 1.00 14.04 C ATOM 510 O ASP A 32 -6.898 -8.546 -8.986 1.00 13.39 O ATOM 511 CB ASP A 32 -4.149 -6.835 -9.810 1.00 18.01 C ATOM 512 CG ASP A 32 -3.976 -8.004 -10.727 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.565 -8.036 -11.849 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.447 -9.043 -10.301 1.00 26.29 O ATOM 0 H ASP A 32 -4.805 -4.997 -8.341 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.307 -6.503 -10.173 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.807 -5.934 -10.320 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.507 -6.972 -8.940 1.00 18.01 H new ATOM 519 N LYS A 33 -5.637 -7.972 -7.288 1.00 14.22 N ATOM 520 CA LYS A 33 -5.918 -9.072 -6.395 1.00 14.00 C ATOM 521 C LYS A 33 -7.361 -9.061 -5.860 1.00 12.37 C ATOM 522 O LYS A 33 -8.122 -10.037 -5.935 1.00 12.17 O ATOM 523 CB LYS A 33 -4.984 -9.127 -5.203 1.00 18.62 C ATOM 524 CG LYS A 33 -3.529 -9.600 -5.512 1.00 24.00 C ATOM 525 CD LYS A 33 -3.286 -11.133 -5.857 1.00 27.61 C ATOM 526 CE LYS A 33 -1.818 -11.330 -6.290 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.569 -12.716 -6.703 1.00 30.06 N ATOM 0 H LYS A 33 -5.003 -7.294 -6.864 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.765 -9.954 -7.017 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.937 -8.135 -4.754 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.414 -9.795 -4.457 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.159 -9.009 -6.350 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.910 -9.352 -4.650 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.508 -11.753 -4.988 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.958 -11.450 -6.654 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.585 -10.655 -7.113 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.155 -11.068 -5.466 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.574 -12.820 -6.989 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.769 -13.356 -5.908 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.186 -12.956 -7.505 1.00 30.06 H new ATOM 541 N GLU A 34 -7.844 -7.889 -5.373 1.00 10.11 N ATOM 542 CA GLU A 34 -8.989 -7.905 -4.425 1.00 10.07 C ATOM 543 C GLU A 34 -10.140 -7.100 -4.987 1.00 9.32 C ATOM 544 O GLU A 34 -11.212 -7.248 -4.429 1.00 11.61 O ATOM 545 CB GLU A 34 -8.628 -7.274 -3.015 1.00 14.77 C ATOM 546 CG GLU A 34 -7.637 -8.224 -2.265 1.00 18.75 C ATOM 547 CD GLU A 34 -8.210 -9.471 -1.724 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.169 -9.431 -0.860 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.723 -10.585 -2.035 1.00 25.19 O ATOM 0 H GLU A 34 -7.481 -6.964 -5.605 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.253 -8.954 -4.291 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.177 -6.290 -3.148 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.533 -7.133 -2.424 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.831 -8.487 -2.950 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.188 -7.669 -1.442 1.00 18.75 H new ATOM 556 N GLY A 35 -9.846 -6.314 -6.051 1.00 7.22 N ATOM 557 CA GLY A 35 -10.884 -5.588 -6.820 1.00 6.29 C ATOM 558 C GLY A 35 -11.147 -4.224 -6.416 1.00 6.93 C ATOM 559 O GLY A 35 -11.885 -3.574 -7.093 1.00 7.41 O ATOM 0 H GLY A 35 -8.897 -6.167 -6.396 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.591 -5.583 -7.870 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.815 -6.150 -6.752 1.00 6.29 H new ATOM 563 N ILE A 36 -10.579 -3.773 -5.259 1.00 5.86 N ATOM 564 CA ILE A 36 -10.819 -2.511 -4.566 1.00 6.07 C ATOM 565 C ILE A 36 -10.299 -1.319 -5.392 1.00 6.36 C ATOM 566 O ILE A 36 -9.168 -1.368 -5.825 1.00 6.18 O ATOM 567 CB ILE A 36 -10.294 -2.475 -3.193 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.684 -3.826 -2.445 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.878 -1.242 -2.454 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.807 -4.105 -1.219 1.00 9.49 C ATOM 0 H ILE A 36 -9.891 -4.341 -4.764 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.901 -2.427 -4.469 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.208 -2.388 -3.206 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.728 -3.775 -2.135 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.599 -4.659 -3.143 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.491 -1.211 -1.435 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.588 -0.332 -2.980 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.965 -1.315 -2.427 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.121 -5.038 -0.752 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.765 -4.186 -1.528 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.911 -3.289 -0.504 1.00 9.49 H new ATOM 582 N PRO A 37 -11.002 -0.310 -5.830 1.00 8.65 N ATOM 583 CA PRO A 37 -10.498 1.033 -6.326 1.00 9.18 C ATOM 584 C PRO A 37 -9.336 1.643 -5.576 1.00 9.85 C ATOM 585 O PRO A 37 -9.477 1.694 -4.343 1.00 8.51 O ATOM 586 CB PRO A 37 -11.705 1.907 -6.296 1.00 11.42 C ATOM 587 CG PRO A 37 -12.901 0.932 -6.571 1.00 9.27 C ATOM 588 CD PRO A 37 -12.462 -0.356 -5.775 1.00 8.33 C ATOM 0 HA PRO A 37 -10.060 0.910 -7.316 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.811 2.404 -5.332 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.648 2.689 -7.053 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.847 1.334 -6.208 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.028 0.731 -7.635 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.826 -0.336 -4.748 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.853 -1.264 -6.234 1.00 8.33 H new ATOM 596 N PRO A 38 -8.266 2.016 -6.210 1.00 8.71 N ATOM 597 CA PRO A 38 -7.174 2.661 -5.556 1.00 9.08 C ATOM 598 C PRO A 38 -7.369 4.037 -4.937 1.00 9.28 C ATOM 599 O PRO A 38 -6.539 4.438 -4.106 1.00 6.50 O ATOM 600 CB PRO A 38 -6.099 2.697 -6.647 1.00 10.31 C ATOM 601 CG PRO A 38 -6.436 1.489 -7.478 1.00 10.81 C ATOM 602 CD PRO A 38 -7.897 1.566 -7.552 1.00 12.00 C ATOM 0 HA PRO A 38 -6.947 2.097 -4.651 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.144 3.616 -7.231 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.094 2.634 -6.229 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.975 1.531 -8.465 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.100 0.565 -7.009 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.227 2.267 -8.319 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.341 0.600 -7.791 1.00 12.00 H new ATOM 610 N ASP A 39 -8.574 4.708 -5.110 1.00 11.20 N ATOM 611 CA ASP A 39 -8.872 5.960 -4.295 1.00 14.96 C ATOM 612 C ASP A 39 -9.225 5.484 -2.891 1.00 13.99 C ATOM 613 O ASP A 39 -8.862 6.116 -1.874 1.00 13.75 O ATOM 614 CB ASP A 39 -9.877 6.849 -5.032 1.00 24.16 C ATOM 615 CG ASP A 39 -9.820 8.196 -4.321 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.798 8.887 -4.460 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.835 8.711 -3.740 1.00 34.22 O ATOM 0 H ASP A 39 -9.308 4.428 -5.760 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.025 6.637 -4.179 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.615 6.949 -6.085 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.880 6.425 -4.992 1.00 24.16 H new ATOM 622 N GLN A 40 -9.930 4.368 -2.840 1.00 11.60 N ATOM 623 CA GLN A 40 -10.457 3.908 -1.583 1.00 10.76 C ATOM 624 C GLN A 40 -9.436 3.022 -0.877 1.00 8.01 C ATOM 625 O GLN A 40 -9.808 2.513 0.235 1.00 8.96 O ATOM 626 CB GLN A 40 -11.716 2.986 -1.839 1.00 11.14 C ATOM 627 CG GLN A 40 -12.874 3.744 -2.438 1.00 14.85 C ATOM 628 CD GLN A 40 -14.035 2.847 -2.662 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.202 2.259 -3.768 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.797 2.595 -1.565 1.00 18.16 N ATOM 0 H GLN A 40 -10.144 3.777 -3.643 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.706 4.786 -0.987 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.436 2.171 -2.506 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.029 2.535 -0.898 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.162 4.560 -1.775 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.569 4.194 -3.383 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.621 3.098 -0.695 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.545 1.903 -1.612 1.00 18.16 H new ATOM 639 N GLN A 41 -8.225 2.892 -1.414 1.00 6.52 N ATOM 640 CA GLN A 41 -7.195 2.174 -0.706 1.00 3.87 C ATOM 641 C GLN A 41 -6.246 3.158 -0.075 1.00 4.79 C ATOM 642 O GLN A 41 -5.555 3.953 -0.773 1.00 6.34 O ATOM 643 CB GLN A 41 -6.319 1.377 -1.735 1.00 4.20 C ATOM 644 CG GLN A 41 -7.140 0.185 -2.413 1.00 3.20 C ATOM 645 CD GLN A 41 -6.217 -0.709 -3.201 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.065 -0.940 -2.775 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.637 -1.214 -4.342 1.00 7.13 N ATOM 0 H GLN A 41 -7.946 3.270 -2.320 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.673 1.525 0.028 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.958 2.056 -2.508 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.442 0.973 -1.230 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.651 -0.396 -1.645 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.909 0.592 -3.069 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.581 -1.013 -4.672 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.018 -1.806 -4.896 1.00 7.13 H new ATOM 656 N ARG A 42 -6.268 3.218 1.246 1.00 5.73 N ATOM 657 CA ARG A 42 -5.282 4.085 1.965 1.00 6.97 C ATOM 658 C ARG A 42 -4.264 3.212 2.636 1.00 7.15 C ATOM 659 O ARG A 42 -4.599 2.223 3.250 1.00 7.33 O ATOM 660 CB ARG A 42 -6.055 4.865 3.000 1.00 13.23 C ATOM 661 CG ARG A 42 -5.245 5.910 3.687 1.00 21.27 C ATOM 662 CD ARG A 42 -6.085 6.879 4.488 1.00 26.14 C ATOM 663 NE ARG A 42 -6.897 7.680 3.589 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.750 8.605 4.056 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.387 8.417 5.190 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.953 9.803 3.541 1.00 36.39 N ATOM 0 H ARG A 42 -6.919 2.709 1.844 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.767 4.760 1.281 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.912 5.338 2.521 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.448 4.173 3.745 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.527 5.427 4.349 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.671 6.464 2.944 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.724 6.334 5.183 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.442 7.525 5.086 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.817 7.537 2.582 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.235 7.562 5.724 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.033 9.127 5.536 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.436 10.096 2.712 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.627 10.436 3.972 1.00 36.39 H new ATOM 680 N LEU A 43 -2.964 3.548 2.522 1.00 4.65 N ATOM 681 CA LEU A 43 -1.884 2.783 3.191 1.00 3.51 C ATOM 682 C LEU A 43 -1.188 3.592 4.339 1.00 5.56 C ATOM 683 O LEU A 43 -1.000 4.754 4.179 1.00 4.19 O ATOM 684 CB LEU A 43 -0.750 2.301 2.207 1.00 3.74 C ATOM 685 CG LEU A 43 -1.214 1.254 1.118 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.251 1.389 -0.061 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.226 -0.198 1.605 1.00 6.41 C ATOM 0 H LEU A 43 -2.633 4.342 1.975 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.403 1.916 3.600 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.336 3.172 1.699 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.056 1.860 2.793 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.247 1.477 0.852 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.532 0.683 -0.843 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.298 2.404 -0.455 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.765 1.176 0.273 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.556 -0.850 0.796 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.222 -0.486 1.916 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.909 -0.293 2.449 1.00 6.41 H new ATOM 699 N ILE A 44 -0.855 2.907 5.438 1.00 4.58 N ATOM 700 CA ILE A 44 -0.150 3.413 6.594 1.00 5.55 C ATOM 701 C ILE A 44 1.186 2.542 6.765 1.00 5.46 C ATOM 702 O ILE A 44 1.157 1.337 6.707 1.00 6.04 O ATOM 703 CB ILE A 44 -0.921 3.490 7.905 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.340 4.150 7.901 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.088 3.947 9.052 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.307 5.645 7.390 1.00 13.90 C ATOM 0 H ILE A 44 -1.092 1.920 5.538 1.00 4.58 H new ATOM 0 HA ILE A 44 0.051 4.464 6.385 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.167 2.438 8.050 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.007 3.567 7.267 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.754 4.122 8.909 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.698 3.980 9.955 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.741 3.254 9.199 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.304 4.942 8.843 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.316 6.057 7.406 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.662 6.237 8.039 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.920 5.673 6.371 1.00 13.90 H new ATOM 718 N PHE A 45 2.330 3.252 6.974 1.00 6.75 N ATOM 719 CA PHE A 45 3.584 2.610 7.318 1.00 4.70 C ATOM 720 C PHE A 45 4.409 3.492 8.212 1.00 6.34 C ATOM 721 O PHE A 45 4.371 4.687 8.039 1.00 5.45 O ATOM 722 CB PHE A 45 4.372 2.183 6.079 1.00 5.51 C ATOM 723 CG PHE A 45 5.700 1.512 6.301 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.752 0.178 6.735 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.862 2.345 6.386 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.954 -0.427 7.066 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.060 1.714 6.844 1.00 6.64 C ATOM 728 CZ PHE A 45 8.172 0.318 7.082 1.00 6.84 C ATOM 0 H PHE A 45 2.386 4.268 6.905 1.00 6.75 H new ATOM 0 HA PHE A 45 3.342 1.700 7.867 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.746 1.506 5.498 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.540 3.068 5.465 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.836 -0.389 6.813 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.835 3.391 6.119 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.970 -1.478 7.316 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.928 2.333 7.019 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.126 -0.154 7.265 1.00 6.84 H new ATOM 738 N ALA A 46 5.055 2.996 9.231 1.00 6.53 N ATOM 739 CA ALA A 46 5.798 3.902 10.112 1.00 7.15 C ATOM 740 C ALA A 46 5.130 5.037 10.910 1.00 9.00 C ATOM 741 O ALA A 46 5.645 6.105 11.197 1.00 11.15 O ATOM 742 CB ALA A 46 7.036 4.489 9.289 1.00 8.99 C ATOM 0 H ALA A 46 5.093 2.008 9.480 1.00 6.53 H new ATOM 0 HA ALA A 46 6.028 3.229 10.939 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.606 5.167 9.924 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.678 3.670 8.964 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.669 5.030 8.417 1.00 8.99 H new ATOM 748 N GLY A 47 3.830 4.786 11.346 1.00 9.35 N ATOM 749 CA GLY A 47 3.055 5.898 12.018 1.00 11.68 C ATOM 750 C GLY A 47 2.430 6.875 11.060 1.00 11.14 C ATOM 751 O GLY A 47 1.698 7.761 11.491 1.00 13.93 O ATOM 0 H GLY A 47 3.337 3.898 11.252 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.271 5.459 12.636 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.723 6.439 12.688 1.00 11.68 H new ATOM 755 N LYS A 48 2.621 6.670 9.737 1.00 10.47 N ATOM 756 CA LYS A 48 2.250 7.767 8.840 1.00 8.82 C ATOM 757 C LYS A 48 1.538 7.260 7.536 1.00 7.68 C ATOM 758 O LYS A 48 1.693 6.152 6.990 1.00 6.47 O ATOM 759 CB LYS A 48 3.363 8.753 8.441 1.00 9.74 C ATOM 760 CG LYS A 48 4.629 8.059 7.849 1.00 14.14 C ATOM 761 CD LYS A 48 5.842 8.887 8.085 1.00 16.32 C ATOM 762 CE LYS A 48 7.271 8.325 7.871 1.00 20.04 C ATOM 763 NZ LYS A 48 8.268 9.331 8.215 1.00 23.92 N ATOM 0 H LYS A 48 2.998 5.828 9.302 1.00 10.47 H new ATOM 0 HA LYS A 48 1.563 8.334 9.468 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.968 9.456 7.708 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.653 9.334 9.316 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.758 7.077 8.305 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.495 7.898 6.779 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.751 9.767 7.449 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.791 9.233 9.117 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.415 7.436 8.485 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.397 8.019 6.832 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.221 8.941 8.067 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.139 10.168 7.611 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.157 9.603 9.213 1.00 23.92 H new ATOM 777 N GLN A 49 0.691 8.123 6.993 1.00 8.89 N ATOM 778 CA GLN A 49 -0.098 7.887 5.808 1.00 7.18 C ATOM 779 C GLN A 49 0.775 8.133 4.578 1.00 8.23 C ATOM 780 O GLN A 49 1.459 9.147 4.386 1.00 9.70 O ATOM 781 CB GLN A 49 -1.254 8.814 5.781 1.00 11.67 C ATOM 782 CG GLN A 49 -2.168 8.787 4.561 1.00 15.82 C ATOM 783 CD GLN A 49 -3.347 9.781 4.687 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.258 9.615 5.513 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.367 10.841 3.815 1.00 20.67 N ATOM 0 H GLN A 49 0.533 9.049 7.391 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.463 6.860 5.810 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.865 8.610 6.660 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.870 9.829 5.888 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.588 9.027 3.670 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.559 7.779 4.425 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.610 10.962 3.142 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.139 11.507 3.840 1.00 20.67 H new ATOM 794 N LEU A 50 0.593 7.182 3.626 1.00 6.51 N ATOM 795 CA LEU A 50 1.421 7.124 2.381 1.00 7.41 C ATOM 796 C LEU A 50 0.562 7.771 1.279 1.00 8.27 C ATOM 797 O LEU A 50 -0.614 7.580 1.295 1.00 8.34 O ATOM 798 CB LEU A 50 1.836 5.729 1.894 1.00 7.13 C ATOM 799 CG LEU A 50 2.425 4.807 2.998 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.843 3.430 2.490 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.666 5.540 3.590 1.00 9.11 C ATOM 0 H LEU A 50 -0.112 6.448 3.690 1.00 6.51 H new ATOM 0 HA LEU A 50 2.361 7.627 2.606 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.967 5.239 1.455 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.574 5.841 1.100 1.00 7.13 H new ATOM 0 HG LEU A 50 1.649 4.626 3.742 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.244 2.844 3.317 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.977 2.919 2.069 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.607 3.542 1.721 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.113 4.926 4.372 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.398 5.711 2.801 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.357 6.496 4.012 1.00 9.11 H new ATOM 813 N GLU A 51 1.226 8.461 0.362 1.00 9.43 N ATOM 814 CA GLU A 51 0.584 9.220 -0.734 1.00 11.90 C ATOM 815 C GLU A 51 1.013 8.731 -2.139 1.00 11.49 C ATOM 816 O GLU A 51 2.111 8.255 -2.290 1.00 9.88 O ATOM 817 CB GLU A 51 0.929 10.718 -0.690 1.00 16.56 C ATOM 818 CG GLU A 51 0.407 11.459 0.543 1.00 26.06 C ATOM 819 CD GLU A 51 -1.111 11.615 0.647 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.705 12.105 -0.357 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.738 11.171 1.649 1.00 32.13 O ATOM 0 H GLU A 51 2.244 8.518 0.347 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.482 9.054 -0.577 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.013 10.829 -0.732 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.525 11.196 -1.582 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.759 10.935 1.432 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.855 12.452 0.560 1.00 26.06 H new ATOM 828 N ASP A 52 0.102 8.826 -3.128 1.00 12.71 N ATOM 829 CA ASP A 52 0.082 8.061 -4.282 1.00 16.56 C ATOM 830 C ASP A 52 1.245 8.208 -5.280 1.00 15.83 C ATOM 831 O ASP A 52 1.754 7.227 -5.810 1.00 17.21 O ATOM 832 CB ASP A 52 -1.165 8.502 -5.138 1.00 21.05 C ATOM 833 CG ASP A 52 -2.496 8.490 -4.410 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.736 9.142 -3.371 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.336 7.738 -4.927 1.00 28.37 O ATOM 0 H ASP A 52 -0.666 9.496 -3.091 1.00 12.71 H new ATOM 0 HA ASP A 52 0.106 7.044 -3.890 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.987 9.509 -5.515 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.239 7.845 -6.005 1.00 21.05 H new ATOM 840 N GLY A 53 1.792 9.445 -5.466 1.00 15.00 N ATOM 841 CA GLY A 53 2.902 9.649 -6.347 1.00 11.77 C ATOM 842 C GLY A 53 4.281 9.494 -5.683 1.00 11.10 C ATOM 843 O GLY A 53 5.237 9.682 -6.404 1.00 11.25 O ATOM 0 H GLY A 53 1.459 10.291 -5.004 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.829 8.941 -7.173 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.830 10.648 -6.776 1.00 11.77 H new ATOM 847 N ARG A 54 4.332 9.175 -4.413 1.00 8.53 N ATOM 848 CA ARG A 54 5.594 9.132 -3.750 1.00 9.05 C ATOM 849 C ARG A 54 6.063 7.650 -3.948 1.00 8.96 C ATOM 850 O ARG A 54 5.396 6.766 -4.504 1.00 11.60 O ATOM 851 CB ARG A 54 5.410 9.320 -2.215 1.00 7.97 C ATOM 852 CG ARG A 54 4.732 10.588 -1.710 1.00 9.62 C ATOM 853 CD ARG A 54 5.622 11.850 -2.110 1.00 12.20 C ATOM 854 NE ARG A 54 4.946 13.077 -1.634 1.00 18.23 N ATOM 855 CZ ARG A 54 5.185 14.310 -2.154 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.998 14.562 -3.205 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.529 15.295 -1.622 1.00 23.38 N ATOM 0 H ARG A 54 3.524 8.946 -3.833 1.00 8.53 H new ATOM 0 HA ARG A 54 6.271 9.897 -4.130 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.839 8.469 -1.844 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.397 9.267 -1.755 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.735 10.679 -2.141 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.608 10.543 -0.628 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.614 11.769 -1.666 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.759 11.889 -3.191 1.00 12.20 H new ATOM 0 HE ARG A 54 4.267 12.994 -0.878 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.486 13.795 -3.668 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.124 15.519 -3.535 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.877 15.120 -0.857 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.665 16.245 -1.969 1.00 23.38 H new ATOM 871 N THR A 55 7.311 7.381 -3.557 1.00 9.05 N ATOM 872 CA THR A 55 7.938 6.078 -3.878 1.00 9.03 C ATOM 873 C THR A 55 8.278 5.412 -2.625 1.00 8.15 C ATOM 874 O THR A 55 8.417 6.091 -1.583 1.00 5.91 O ATOM 875 CB THR A 55 9.195 6.206 -4.839 1.00 11.15 C ATOM 876 OG1 THR A 55 10.270 6.842 -4.207 1.00 11.95 O ATOM 877 CG2 THR A 55 8.901 7.027 -6.078 1.00 11.71 C ATOM 0 H THR A 55 7.902 8.024 -3.030 1.00 9.05 H new ATOM 0 HA THR A 55 7.221 5.478 -4.438 1.00 9.03 H new ATOM 0 HB THR A 55 9.440 5.178 -5.107 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.070 7.796 -4.103 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.795 7.082 -6.699 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.095 6.558 -6.643 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.601 8.033 -5.785 1.00 11.71 H new ATOM 885 N LEU A 56 8.434 4.064 -2.587 1.00 6.91 N ATOM 886 CA LEU A 56 8.630 3.261 -1.372 1.00 8.29 C ATOM 887 C LEU A 56 9.870 3.694 -0.637 1.00 8.05 C ATOM 888 O LEU A 56 9.865 3.784 0.606 1.00 10.17 O ATOM 889 CB LEU A 56 8.727 1.765 -1.821 1.00 6.60 C ATOM 890 CG LEU A 56 7.435 1.271 -2.608 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.823 0.233 -3.657 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.446 0.644 -1.564 1.00 8.64 C ATOM 0 H LEU A 56 8.425 3.496 -3.434 1.00 6.91 H new ATOM 0 HA LEU A 56 7.798 3.396 -0.681 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.604 1.637 -2.456 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.874 1.136 -0.943 1.00 6.60 H new ATOM 0 HG LEU A 56 6.961 2.108 -3.122 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.931 -0.098 -4.189 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.524 0.675 -4.364 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.291 -0.621 -3.168 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.549 0.296 -2.076 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.928 -0.197 -1.065 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.173 1.397 -0.824 1.00 8.64 H new ATOM 904 N SER A 57 10.962 4.010 -1.309 1.00 8.92 N ATOM 905 CA SER A 57 12.157 4.543 -0.696 1.00 9.00 C ATOM 906 C SER A 57 12.068 5.978 -0.171 1.00 9.44 C ATOM 907 O SER A 57 12.977 6.391 0.506 1.00 10.91 O ATOM 908 CB SER A 57 13.457 4.397 -1.486 1.00 10.32 C ATOM 909 OG SER A 57 13.396 5.061 -2.728 1.00 13.59 O ATOM 0 H SER A 57 11.041 3.899 -2.320 1.00 8.92 H new ATOM 0 HA SER A 57 12.206 3.868 0.158 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.284 4.798 -0.900 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.665 3.340 -1.650 1.00 10.32 H new ATOM 0 HG SER A 57 14.246 4.946 -3.203 1.00 13.59 H new ATOM 915 N ASP A 58 11.089 6.812 -0.470 1.00 9.11 N ATOM 916 CA ASP A 58 10.930 8.133 0.143 1.00 7.91 C ATOM 917 C ASP A 58 10.544 8.015 1.646 1.00 9.12 C ATOM 918 O ASP A 58 10.809 8.868 2.484 1.00 8.61 O ATOM 919 CB ASP A 58 9.810 8.932 -0.611 1.00 8.41 C ATOM 920 CG ASP A 58 10.301 9.160 -2.052 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.442 9.591 -2.252 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.479 9.028 -3.002 1.00 11.70 O ATOM 0 H ASP A 58 10.366 6.594 -1.156 1.00 9.11 H new ATOM 0 HA ASP A 58 11.883 8.656 0.068 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.873 8.375 -0.608 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.617 9.884 -0.116 1.00 8.41 H new ATOM 927 N TYR A 59 9.844 6.866 1.917 1.00 7.97 N ATOM 928 CA TYR A 59 9.406 6.640 3.287 1.00 8.45 C ATOM 929 C TYR A 59 10.388 5.770 4.011 1.00 10.98 C ATOM 930 O TYR A 59 10.225 5.336 5.138 1.00 12.95 O ATOM 931 CB TYR A 59 8.024 6.015 3.312 1.00 7.94 C ATOM 932 CG TYR A 59 7.028 7.043 2.796 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.564 8.071 3.625 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.506 6.911 1.490 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.432 8.846 3.274 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.482 7.765 1.123 1.00 6.52 C ATOM 937 CZ TYR A 59 4.948 8.736 1.949 1.00 6.76 C ATOM 938 OH TYR A 59 3.771 9.453 1.632 1.00 7.63 O ATOM 0 H TYR A 59 9.597 6.143 1.241 1.00 7.97 H new ATOM 0 HA TYR A 59 9.354 7.603 3.795 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.001 5.119 2.692 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.764 5.709 4.325 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.080 8.277 4.551 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.892 6.171 0.804 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.955 9.497 3.992 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.074 7.667 0.128 1.00 6.52 H new ATOM 0 HH TYR A 59 3.995 10.393 1.467 1.00 7.63 H new ATOM 948 N ASN A 60 11.461 5.325 3.287 1.00 12.38 N ATOM 949 CA ASN A 60 12.492 4.415 3.743 1.00 13.94 C ATOM 950 C ASN A 60 11.988 2.984 4.008 1.00 14.16 C ATOM 951 O ASN A 60 12.466 2.239 4.870 1.00 14.26 O ATOM 952 CB ASN A 60 13.392 4.737 5.019 1.00 19.23 C ATOM 953 CG ASN A 60 13.867 6.141 4.777 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.557 7.047 5.543 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.636 6.327 3.676 1.00 24.09 N ATOM 0 H ASN A 60 11.612 5.623 2.323 1.00 12.38 H new ATOM 0 HA ASN A 60 13.125 4.547 2.865 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.818 4.662 5.943 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.227 4.042 5.106 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.987 7.258 3.451 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.863 5.536 3.073 1.00 24.09 H new ATOM 962 N ILE A 61 10.977 2.515 3.214 1.00 11.08 N ATOM 963 CA ILE A 61 10.413 1.174 3.263 1.00 11.78 C ATOM 964 C ILE A 61 11.498 0.168 2.841 1.00 13.74 C ATOM 965 O ILE A 61 12.202 0.406 1.838 1.00 14.60 O ATOM 966 CB ILE A 61 9.119 1.088 2.341 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.000 2.035 2.917 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.585 -0.428 2.345 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.830 2.148 1.957 1.00 11.42 C ATOM 0 H ILE A 61 10.533 3.099 2.505 1.00 11.08 H new ATOM 0 HA ILE A 61 10.094 0.930 4.276 1.00 11.78 H new ATOM 0 HB ILE A 61 9.365 1.397 1.325 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.652 1.650 3.875 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.418 3.024 3.104 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.697 -0.503 1.717 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.361 -1.088 1.957 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.334 -0.723 3.364 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.073 2.808 2.382 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.176 2.556 1.008 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.399 1.161 1.791 1.00 11.42 H new ATOM 981 N GLN A 62 11.600 -0.934 3.579 1.00 13.97 N ATOM 982 CA GLN A 62 12.611 -1.943 3.400 1.00 15.52 C ATOM 983 C GLN A 62 12.056 -3.331 3.252 1.00 13.94 C ATOM 984 O GLN A 62 10.832 -3.607 3.324 1.00 12.15 O ATOM 985 CB GLN A 62 13.621 -1.835 4.529 1.00 19.53 C ATOM 986 CG GLN A 62 12.845 -1.937 5.869 1.00 26.38 C ATOM 987 CD GLN A 62 13.732 -1.827 7.089 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.976 -1.717 7.082 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.061 -1.814 8.279 1.00 32.71 N ATOM 0 H GLN A 62 10.955 -1.145 4.340 1.00 13.97 H new ATOM 0 HA GLN A 62 13.113 -1.755 2.451 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.363 -2.630 4.455 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.160 -0.889 4.470 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.092 -1.150 5.905 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.313 -2.888 5.901 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.045 -1.903 8.293 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.576 -1.715 9.154 1.00 32.71 H new ATOM 998 N LYS A 63 12.938 -4.316 2.932 1.00 11.73 N ATOM 999 CA LYS A 63 12.513 -5.667 2.547 1.00 11.97 C ATOM 1000 C LYS A 63 11.777 -6.470 3.672 1.00 10.41 C ATOM 1001 O LYS A 63 12.180 -6.421 4.832 1.00 9.59 O ATOM 1002 CB LYS A 63 13.666 -6.484 1.956 1.00 13.73 C ATOM 1003 CG LYS A 63 14.558 -7.210 2.995 1.00 16.98 C ATOM 1004 CD LYS A 63 15.549 -8.051 2.242 1.00 20.19 C ATOM 1005 CE LYS A 63 16.671 -8.765 3.063 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.158 -9.795 4.001 1.00 25.97 N ATOM 0 H LYS A 63 13.950 -4.187 2.937 1.00 11.73 H new ATOM 0 HA LYS A 63 11.766 -5.503 1.770 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.252 -7.226 1.274 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.294 -5.820 1.362 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.073 -6.487 3.628 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.950 -7.832 3.652 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.994 -8.815 1.698 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.031 -7.416 1.498 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.373 -9.232 2.373 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.228 -8.017 3.627 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.954 -10.227 4.511 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.510 -9.352 4.683 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.650 -10.529 3.467 1.00 25.97 H new ATOM 1020 N GLU A 64 10.728 -7.218 3.319 1.00 10.04 N ATOM 1021 CA GLU A 64 9.812 -7.911 4.202 1.00 10.94 C ATOM 1022 C GLU A 64 8.925 -7.103 5.104 1.00 9.74 C ATOM 1023 O GLU A 64 8.361 -7.522 6.157 1.00 9.42 O ATOM 1024 CB GLU A 64 10.416 -9.124 4.878 1.00 18.31 C ATOM 1025 CG GLU A 64 10.830 -10.118 3.787 1.00 24.16 C ATOM 1026 CD GLU A 64 11.466 -11.404 4.387 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.476 -11.641 5.601 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.932 -12.166 3.554 1.00 32.61 O ATOM 0 H GLU A 64 10.488 -7.359 2.338 1.00 10.04 H new ATOM 0 HA GLU A 64 9.082 -8.269 3.476 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.279 -8.835 5.478 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.695 -9.581 5.556 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.958 -10.388 3.192 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.541 -9.642 3.112 1.00 24.16 H new ATOM 1035 N SER A 65 8.733 -5.835 4.743 1.00 6.85 N ATOM 1036 CA SER A 65 7.901 -4.968 5.519 1.00 6.90 C ATOM 1037 C SER A 65 6.438 -5.250 5.476 1.00 4.72 C ATOM 1038 O SER A 65 5.899 -5.641 4.454 1.00 3.91 O ATOM 1039 CB SER A 65 8.118 -3.453 5.287 1.00 7.28 C ATOM 1040 OG SER A 65 9.404 -2.960 5.485 1.00 10.56 O ATOM 0 H SER A 65 9.148 -5.403 3.918 1.00 6.85 H new ATOM 0 HA SER A 65 8.260 -5.222 6.516 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.820 -3.221 4.264 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.442 -2.909 5.947 1.00 7.28 H new ATOM 0 HG SER A 65 10.013 -3.363 4.831 1.00 10.56 H new ATOM 1046 N THR A 66 5.813 -5.037 6.613 1.00 4.48 N ATOM 1047 CA THR A 66 4.369 -5.036 6.763 1.00 3.80 C ATOM 1048 C THR A 66 3.929 -3.624 6.562 1.00 4.60 C ATOM 1049 O THR A 66 4.212 -2.739 7.381 1.00 5.33 O ATOM 1050 CB THR A 66 3.825 -5.514 8.121 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.196 -6.808 8.407 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.334 -5.462 8.219 1.00 3.40 C ATOM 0 H THR A 66 6.307 -4.854 7.486 1.00 4.48 H new ATOM 0 HA THR A 66 3.979 -5.750 6.038 1.00 3.80 H new ATOM 0 HB THR A 66 4.264 -4.817 8.835 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.830 -7.068 9.278 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.022 -5.813 9.202 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.996 -4.436 8.076 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.896 -6.099 7.450 1.00 3.40 H new ATOM 1060 N LEU A 67 3.053 -3.336 5.561 1.00 4.17 N ATOM 1061 CA LEU A 67 2.370 -2.061 5.252 1.00 3.85 C ATOM 1062 C LEU A 67 0.864 -2.378 5.705 1.00 3.80 C ATOM 1063 O LEU A 67 0.352 -3.478 5.517 1.00 5.54 O ATOM 1064 CB LEU A 67 2.359 -1.560 3.765 1.00 7.18 C ATOM 1065 CG LEU A 67 3.704 -1.048 3.140 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.771 -2.114 3.069 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.381 -0.437 1.813 1.00 11.66 C ATOM 0 H LEU A 67 2.787 -4.059 4.893 1.00 4.17 H new ATOM 0 HA LEU A 67 2.900 -1.250 5.752 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.993 -2.376 3.142 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.630 -0.752 3.692 1.00 7.18 H new ATOM 0 HG LEU A 67 4.148 -0.293 3.788 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.675 -1.695 2.627 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.992 -2.475 4.073 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.417 -2.942 2.455 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.296 -0.069 1.349 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.924 -1.188 1.168 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.687 0.392 1.953 1.00 11.66 H new ATOM 1079 N HIS A 68 0.145 -1.353 6.235 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.162 -1.574 6.803 1.00 4.17 C ATOM 1081 C HIS A 68 -2.247 -0.952 5.881 1.00 5.32 C ATOM 1082 O HIS A 68 -2.172 0.236 5.518 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.204 -0.900 8.209 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.028 -1.338 9.049 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.234 -0.691 9.052 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.118 -2.418 9.893 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.032 -1.486 9.850 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.433 -2.557 10.358 1.00 16.30 N ATOM 0 H HIS A 68 0.465 -0.385 6.269 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.358 -2.642 6.896 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.194 0.184 8.098 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.134 -1.160 8.714 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.494 0.170 8.571 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.689 -3.082 10.165 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.068 -1.254 10.047 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.239 -1.766 5.430 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.172 -1.351 4.397 1.00 3.97 C ATOM 1098 C LEU A 69 -5.379 -0.869 5.097 1.00 5.07 C ATOM 1099 O LEU A 69 -5.868 -1.654 5.912 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.506 -2.500 3.357 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.530 -2.160 2.166 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.904 -1.068 1.327 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.784 -3.425 1.461 1.00 9.96 C ATOM 0 H LEU A 69 -3.397 -2.711 5.779 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.728 -0.564 3.788 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.568 -2.828 2.909 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.908 -3.348 3.912 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.497 -1.775 2.489 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.574 -0.811 0.506 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.733 -0.187 1.945 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.954 -1.418 0.924 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.477 -3.250 0.638 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.846 -3.817 1.068 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.218 -4.147 2.153 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.857 0.322 4.824 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.025 0.917 5.452 1.00 6.26 C ATOM 1117 C VAL A 70 -8.008 1.311 4.358 1.00 9.22 C ATOM 1118 O VAL A 70 -7.764 2.222 3.560 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.679 2.155 6.233 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.904 2.645 6.997 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.589 1.847 7.218 1.00 8.54 C ATOM 0 H VAL A 70 -5.428 0.933 4.129 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.448 0.184 6.140 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.344 2.925 5.538 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.647 3.542 7.561 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.704 2.876 6.293 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.239 1.868 7.684 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.342 2.747 7.781 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.928 1.071 7.905 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.704 1.499 6.685 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.190 0.692 4.229 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.185 0.987 3.300 1.00 16.06 C ATOM 1133 C LEU A 71 -11.074 2.060 3.806 1.00 18.09 C ATOM 1134 O LEU A 71 -11.272 2.255 4.997 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.963 -0.331 2.885 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.177 -1.451 2.201 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.187 -0.773 1.148 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.517 -2.402 3.181 1.00 19.57 C ATOM 0 H LEU A 71 -9.454 -0.082 4.839 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.727 1.376 2.390 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.418 -0.746 3.784 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.777 -0.042 2.220 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.853 -2.113 1.659 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.610 -1.546 0.641 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.765 -0.212 0.414 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.509 -0.097 1.669 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.976 -3.173 2.632 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.821 -1.849 3.812 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.279 -2.869 3.805 1.00 19.57 H new