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 55 THR OG1 : rot 141:sc= 0.62 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 0.62 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.438 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.662 (180deg=-0.736) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.27 (180deg=1.24) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.932 (180deg=0.411) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.77 (180deg=1.55) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.586 K(o=-0.59,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc=-0.00224 (180deg=-0.147) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= 0.347 K(o=0.35,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.875 K(o=0.87,f=-3.6!) USER MOD Single : A 59 TYR OH : rot 142:sc= 0.582 USER MOD Single : A 60 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 1.09 (180deg=0.35) 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=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.721 4.406 -6.671 1.00 9.67 N ATOM 2 CA MET A 1 -11.897 5.137 -5.396 1.00 10.38 C ATOM 3 C MET A 1 -10.564 5.611 -4.928 1.00 9.62 C ATOM 4 O MET A 1 -9.497 5.137 -5.317 1.00 9.62 O ATOM 5 CB MET A 1 -12.539 4.184 -4.374 1.00 13.77 C ATOM 6 CG MET A 1 -11.655 3.192 -3.615 1.00 16.29 C ATOM 7 SD MET A 1 -12.493 1.977 -2.554 1.00 17.17 S ATOM 8 CE MET A 1 -11.179 0.891 -1.928 1.00 16.11 C ATOM 0 H1 MET A 1 -12.494 3.720 -6.787 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.735 5.080 -7.463 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.810 3.904 -6.660 1.00 9.67 H new ATOM 0 HA MET A 1 -12.546 6.003 -5.524 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.054 4.796 -3.634 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.302 3.608 -4.898 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.055 2.647 -4.344 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.963 3.762 -2.995 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.618 0.110 -1.307 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.653 0.435 -2.767 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.476 1.475 -1.334 1.00 16.11 H new ATOM 20 N GLN A 2 -10.678 6.675 -4.114 1.00 9.27 N ATOM 21 CA GLN A 2 -9.536 7.316 -3.540 1.00 9.07 C ATOM 22 C GLN A 2 -9.158 6.692 -2.241 1.00 8.72 C ATOM 23 O GLN A 2 -9.970 6.628 -1.318 1.00 8.22 O ATOM 24 CB GLN A 2 -9.754 8.820 -3.301 1.00 14.46 C ATOM 25 CG GLN A 2 -10.042 9.644 -4.557 1.00 17.01 C ATOM 26 CD GLN A 2 -9.946 11.106 -4.145 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.023 11.355 -2.943 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.591 11.984 -5.121 1.00 19.49 N ATOM 0 H GLN A 2 -11.570 7.095 -3.851 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.736 7.187 -4.269 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.584 8.945 -2.606 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.867 9.227 -2.815 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.324 9.415 -5.345 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.032 9.416 -4.952 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.557 11.679 -6.094 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.359 12.948 -4.880 1.00 19.49 H new ATOM 37 N ILE A 3 -7.872 6.306 -2.158 1.00 5.87 N ATOM 38 CA ILE A 3 -7.276 5.910 -0.920 1.00 5.07 C ATOM 39 C ILE A 3 -5.991 6.652 -0.792 1.00 4.01 C ATOM 40 O ILE A 3 -5.504 7.190 -1.785 1.00 4.61 O ATOM 41 CB ILE A 3 -6.854 4.491 -0.680 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.901 3.866 -1.712 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.110 3.607 -0.595 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.543 2.418 -1.381 1.00 10.83 C ATOM 0 H ILE A 3 -7.240 6.268 -2.957 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.093 6.102 -0.224 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.283 4.533 0.247 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.363 3.906 -2.698 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.988 4.459 -1.764 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.815 2.572 -0.421 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.740 3.948 0.226 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.666 3.673 -1.530 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.868 2.027 -2.142 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.054 2.377 -0.408 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.451 1.815 -1.357 1.00 10.83 H new ATOM 56 N PHE A 4 -5.455 6.788 0.434 1.00 4.55 N ATOM 57 CA PHE A 4 -4.221 7.468 0.680 1.00 4.68 C ATOM 58 C PHE A 4 -3.160 6.472 1.000 1.00 5.30 C ATOM 59 O PHE A 4 -3.345 5.701 1.940 1.00 5.58 O ATOM 60 CB PHE A 4 -4.276 8.359 1.932 1.00 4.83 C ATOM 61 CG PHE A 4 -5.428 9.299 1.852 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.440 10.421 1.057 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.449 9.253 2.773 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.328 11.465 1.159 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.452 10.193 2.784 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.434 11.292 1.957 1.00 8.90 C ATOM 0 H PHE A 4 -5.891 6.415 1.277 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.026 8.058 -0.216 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.366 7.739 2.824 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.347 8.920 2.027 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.687 10.488 0.286 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.463 8.459 3.505 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.162 12.391 0.629 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.281 10.064 3.464 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.257 11.992 1.935 1.00 8.90 H new ATOM 76 N VAL A 5 -1.984 6.616 0.362 1.00 4.44 N ATOM 77 CA VAL A 5 -0.815 5.996 0.903 1.00 3.87 C ATOM 78 C VAL A 5 0.039 6.974 1.635 1.00 4.93 C ATOM 79 O VAL A 5 0.665 7.897 1.116 1.00 6.84 O ATOM 80 CB VAL A 5 0.038 5.349 -0.147 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.370 4.865 0.451 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.615 4.112 -0.787 1.00 9.13 C ATOM 0 H VAL A 5 -1.844 7.143 -0.500 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.191 5.233 1.584 1.00 3.87 H new ATOM 0 HB VAL A 5 0.181 6.121 -0.903 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.971 4.399 -0.330 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.911 5.714 0.868 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.172 4.138 1.239 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.056 3.694 -1.537 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.810 3.365 -0.018 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.554 4.400 -1.260 1.00 9.13 H new ATOM 92 N LYS A 6 0.210 6.903 2.967 1.00 6.04 N ATOM 93 CA LYS A 6 1.070 7.797 3.678 1.00 6.12 C ATOM 94 C LYS A 6 2.432 7.237 3.905 1.00 6.57 C ATOM 95 O LYS A 6 2.626 6.109 4.356 1.00 5.76 O ATOM 96 CB LYS A 6 0.384 8.095 5.021 1.00 7.45 C ATOM 97 CG LYS A 6 0.885 9.356 5.728 1.00 11.12 C ATOM 98 CD LYS A 6 0.035 9.690 6.955 1.00 14.54 C ATOM 99 CE LYS A 6 0.542 10.808 7.869 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.349 10.927 9.045 1.00 20.55 N ATOM 0 H LYS A 6 -0.255 6.215 3.559 1.00 6.04 H new ATOM 0 HA LYS A 6 1.220 8.700 3.086 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.689 8.191 4.852 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.527 7.242 5.684 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.923 9.216 6.031 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.866 10.195 5.033 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.964 9.960 6.612 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.067 8.784 7.553 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.561 10.594 8.192 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.571 11.752 7.325 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.004 11.687 9.666 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.314 11.150 8.728 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.355 10.028 9.568 1.00 20.55 H new ATOM 114 N THR A 7 3.537 7.916 3.549 1.00 7.41 N ATOM 115 CA THR A 7 4.869 7.445 3.769 1.00 7.48 C ATOM 116 C THR A 7 5.430 7.541 5.146 1.00 8.75 C ATOM 117 O THR A 7 4.769 7.992 6.080 1.00 8.58 O ATOM 118 CB THR A 7 5.824 8.108 2.821 1.00 9.61 C ATOM 119 OG1 THR A 7 6.115 9.466 3.119 1.00 11.78 O ATOM 120 CG2 THR A 7 5.202 8.098 1.414 1.00 9.17 C ATOM 0 H THR A 7 3.501 8.827 3.091 1.00 7.41 H new ATOM 0 HA THR A 7 4.765 6.375 3.592 1.00 7.48 H new ATOM 0 HB THR A 7 6.753 7.544 2.902 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.744 9.819 2.455 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.884 8.577 0.711 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.024 7.069 1.102 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.257 8.641 1.430 1.00 9.17 H new ATOM 128 N LEU A 8 6.702 7.149 5.336 1.00 9.84 N ATOM 129 CA LEU A 8 7.298 7.243 6.632 1.00 14.15 C ATOM 130 C LEU A 8 7.761 8.616 6.979 1.00 17.37 C ATOM 131 O LEU A 8 7.965 9.034 8.117 1.00 17.01 O ATOM 132 CB LEU A 8 8.503 6.290 6.574 1.00 16.63 C ATOM 133 CG LEU A 8 9.274 6.159 7.899 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.436 5.628 9.074 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.362 5.085 7.725 1.00 19.31 C ATOM 0 H LEU A 8 7.309 6.773 4.607 1.00 9.84 H new ATOM 0 HA LEU A 8 6.567 6.989 7.399 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.155 5.302 6.271 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.189 6.638 5.801 1.00 16.63 H new ATOM 0 HG LEU A 8 9.630 7.165 8.120 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.058 5.568 9.967 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.600 6.303 9.259 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.055 4.636 8.830 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.920 4.978 8.655 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.896 4.133 7.470 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.042 5.382 6.926 1.00 19.31 H new ATOM 147 N THR A 9 8.002 9.483 5.979 1.00 18.33 N ATOM 148 CA THR A 9 8.337 10.865 6.124 1.00 19.24 C ATOM 149 C THR A 9 7.105 11.620 6.491 1.00 19.48 C ATOM 150 O THR A 9 7.015 12.315 7.501 1.00 23.14 O ATOM 151 CB THR A 9 9.137 11.623 5.106 1.00 18.97 C ATOM 152 OG1 THR A 9 9.158 11.018 3.822 1.00 20.24 O ATOM 153 CG2 THR A 9 10.558 11.834 5.656 1.00 19.70 C ATOM 0 H THR A 9 7.959 9.196 5.001 1.00 18.33 H new ATOM 0 HA THR A 9 9.102 10.800 6.898 1.00 19.24 H new ATOM 0 HB THR A 9 8.647 12.583 4.947 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.694 11.565 3.211 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.152 12.384 4.927 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.508 12.401 6.585 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.022 10.866 5.846 1.00 19.70 H new ATOM 161 N GLY A 10 6.057 11.320 5.703 1.00 19.43 N ATOM 162 CA GLY A 10 4.749 11.817 6.001 1.00 18.74 C ATOM 163 C GLY A 10 4.152 12.418 4.776 1.00 17.62 C ATOM 164 O GLY A 10 3.323 13.325 4.835 1.00 19.74 O ATOM 0 H GLY A 10 6.113 10.739 4.867 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.116 11.008 6.367 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.804 12.563 6.794 1.00 18.74 H new ATOM 168 N LYS A 11 4.654 12.044 3.585 1.00 13.56 N ATOM 169 CA LYS A 11 4.045 12.472 2.364 1.00 11.91 C ATOM 170 C LYS A 11 2.831 11.661 2.067 1.00 10.18 C ATOM 171 O LYS A 11 2.803 10.436 1.955 1.00 9.10 O ATOM 172 CB LYS A 11 5.145 12.387 1.292 1.00 13.43 C ATOM 173 CG LYS A 11 4.592 12.882 -0.046 1.00 16.69 C ATOM 174 CD LYS A 11 5.575 12.657 -1.196 1.00 17.92 C ATOM 175 CE LYS A 11 4.943 13.002 -2.547 1.00 20.81 C ATOM 176 NZ LYS A 11 5.835 12.845 -3.717 1.00 21.93 N ATOM 0 H LYS A 11 5.475 11.450 3.468 1.00 13.56 H new ATOM 0 HA LYS A 11 3.674 13.496 2.412 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.004 12.990 1.588 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.495 11.359 1.195 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.657 12.366 -0.264 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.360 13.944 0.029 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.464 13.269 -1.042 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.901 11.617 -1.200 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.066 12.371 -2.692 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.592 14.033 -2.513 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.264 12.799 -4.585 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.483 13.657 -3.771 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.386 11.968 -3.618 1.00 21.93 H new ATOM 190 N THR A 12 1.660 12.320 2.017 1.00 9.63 N ATOM 191 CA THR A 12 0.450 11.601 1.760 1.00 9.85 C ATOM 192 C THR A 12 0.121 11.454 0.314 1.00 11.66 C ATOM 193 O THR A 12 -0.078 12.445 -0.387 1.00 12.33 O ATOM 194 CB THR A 12 -0.725 12.313 2.361 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.546 12.144 3.760 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.056 11.585 2.107 1.00 9.63 C ATOM 0 H THR A 12 1.550 13.325 2.151 1.00 9.63 H new ATOM 0 HA THR A 12 0.627 10.618 2.196 1.00 9.85 H new ATOM 0 HB THR A 12 -0.767 13.327 1.963 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.278 12.585 4.239 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.871 12.146 2.565 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.228 11.506 1.034 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.014 10.587 2.542 1.00 9.63 H new ATOM 204 N ILE A 13 0.191 10.241 -0.262 1.00 10.42 N ATOM 205 CA ILE A 13 0.062 9.943 -1.655 1.00 11.84 C ATOM 206 C ILE A 13 -1.309 9.453 -1.971 1.00 10.55 C ATOM 207 O ILE A 13 -1.671 8.341 -1.590 1.00 11.92 O ATOM 208 CB ILE A 13 1.115 9.033 -2.214 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.546 9.500 -1.900 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.902 8.834 -3.724 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.617 8.465 -2.242 1.00 16.46 C ATOM 0 H ILE A 13 0.351 9.401 0.293 1.00 10.42 H new ATOM 0 HA ILE A 13 0.229 10.893 -2.163 1.00 11.84 H new ATOM 0 HB ILE A 13 1.004 8.070 -1.715 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.749 10.417 -2.453 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.615 9.745 -0.840 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.674 8.171 -4.116 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.079 8.392 -3.898 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.960 9.798 -4.230 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.601 8.864 -1.994 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.439 7.555 -1.669 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.576 8.237 -3.307 1.00 16.46 H new ATOM 223 N THR A 14 -2.164 10.249 -2.638 1.00 9.39 N ATOM 224 CA THR A 14 -3.420 9.704 -3.050 1.00 9.63 C ATOM 225 C THR A 14 -3.289 8.735 -4.175 1.00 11.20 C ATOM 226 O THR A 14 -2.708 9.066 -5.208 1.00 11.63 O ATOM 227 CB THR A 14 -4.331 10.830 -3.441 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.436 11.789 -2.398 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.771 10.332 -3.645 1.00 11.66 C ATOM 0 H THR A 14 -1.999 11.225 -2.883 1.00 9.39 H new ATOM 0 HA THR A 14 -3.835 9.147 -2.210 1.00 9.63 H new ATOM 0 HB THR A 14 -3.905 11.252 -4.351 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.034 12.513 -2.678 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.409 11.169 -3.928 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.788 9.580 -4.434 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.139 9.893 -2.718 1.00 11.66 H new ATOM 237 N LEU A 15 -3.832 7.510 -4.059 1.00 8.29 N ATOM 238 CA LEU A 15 -3.983 6.625 -5.172 1.00 9.03 C ATOM 239 C LEU A 15 -5.396 6.387 -5.579 1.00 8.59 C ATOM 240 O LEU A 15 -6.306 6.467 -4.755 1.00 7.79 O ATOM 241 CB LEU A 15 -3.384 5.254 -4.812 1.00 11.08 C ATOM 242 CG LEU A 15 -1.910 5.203 -4.377 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.377 3.760 -4.366 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.927 6.020 -5.233 1.00 15.88 C ATOM 0 H LEU A 15 -4.172 7.127 -3.177 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.472 7.111 -6.004 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.984 4.828 -4.008 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.500 4.601 -5.677 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.942 5.649 -3.383 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.333 3.760 -4.054 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.964 3.161 -3.670 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.457 3.335 -5.367 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.081 5.910 -4.834 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.952 5.658 -6.261 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.213 7.072 -5.211 1.00 15.88 H new ATOM 256 N GLU A 16 -5.645 6.097 -6.868 1.00 11.04 N ATOM 257 CA GLU A 16 -6.915 5.785 -7.446 1.00 11.50 C ATOM 258 C GLU A 16 -6.999 4.346 -7.820 1.00 10.13 C ATOM 259 O GLU A 16 -6.490 3.876 -8.837 1.00 9.83 O ATOM 260 CB GLU A 16 -7.041 6.646 -8.714 1.00 17.22 C ATOM 261 CG GLU A 16 -6.860 8.123 -8.359 1.00 23.33 C ATOM 262 CD GLU A 16 -6.899 9.070 -9.550 1.00 26.99 C ATOM 263 OE1 GLU A 16 -7.956 9.130 -10.234 1.00 28.86 O ATOM 264 OE2 GLU A 16 -5.878 9.760 -9.813 1.00 28.90 O ATOM 0 H GLU A 16 -4.897 6.080 -7.561 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.713 5.985 -6.731 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.291 6.344 -9.445 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.017 6.490 -9.175 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -7.641 8.412 -7.656 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -5.907 8.245 -7.845 1.00 23.33 H new ATOM 271 N VAL A 17 -7.626 3.489 -6.994 1.00 8.99 N ATOM 272 CA VAL A 17 -7.662 2.064 -7.106 1.00 8.85 C ATOM 273 C VAL A 17 -9.091 1.722 -6.859 1.00 8.04 C ATOM 274 O VAL A 17 -9.822 2.556 -6.325 1.00 8.99 O ATOM 275 CB VAL A 17 -6.774 1.344 -6.135 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.387 1.300 -6.799 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.698 2.078 -4.786 1.00 10.54 C ATOM 0 H VAL A 17 -8.149 3.821 -6.184 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.288 1.750 -8.081 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.159 0.348 -5.919 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.685 0.786 -6.142 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.454 0.766 -7.747 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.037 2.317 -6.979 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.046 1.527 -4.108 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.298 3.080 -4.939 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.696 2.148 -4.353 1.00 10.54 H new ATOM 287 N GLU A 18 -9.590 0.506 -7.144 1.00 7.29 N ATOM 288 CA GLU A 18 -10.930 0.070 -6.900 1.00 7.08 C ATOM 289 C GLU A 18 -10.830 -1.099 -5.981 1.00 6.45 C ATOM 290 O GLU A 18 -9.738 -1.653 -5.875 1.00 5.28 O ATOM 291 CB GLU A 18 -11.578 -0.341 -8.232 1.00 10.28 C ATOM 292 CG GLU A 18 -11.831 0.867 -9.136 1.00 12.65 C ATOM 293 CD GLU A 18 -12.383 0.605 -10.530 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.703 -0.142 -11.283 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.435 1.195 -10.894 1.00 14.33 O ATOM 0 H GLU A 18 -9.018 -0.221 -7.574 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.543 0.856 -6.458 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.931 -1.052 -8.747 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.521 -0.852 -8.036 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.524 1.532 -8.621 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.891 1.408 -9.244 1.00 12.65 H new ATOM 302 N PRO A 19 -11.772 -1.609 -5.243 1.00 7.24 N ATOM 303 CA PRO A 19 -11.470 -2.365 -4.063 1.00 7.07 C ATOM 304 C PRO A 19 -11.231 -3.776 -4.477 1.00 6.65 C ATOM 305 O PRO A 19 -10.970 -4.520 -3.533 1.00 6.37 O ATOM 306 CB PRO A 19 -12.729 -2.133 -3.231 1.00 7.61 C ATOM 307 CG PRO A 19 -13.868 -2.020 -4.257 1.00 8.16 C ATOM 308 CD PRO A 19 -13.184 -1.328 -5.448 1.00 7.49 C ATOM 0 HA PRO A 19 -10.579 -2.092 -3.497 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.902 -2.957 -2.538 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.645 -1.226 -2.633 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.265 -2.998 -4.530 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.702 -1.433 -3.873 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.538 -1.725 -6.399 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.382 -0.256 -5.457 1.00 7.49 H new ATOM 316 N SER A 20 -11.490 -4.149 -5.743 1.00 6.80 N ATOM 317 CA SER A 20 -11.210 -5.379 -6.418 1.00 6.28 C ATOM 318 C SER A 20 -9.761 -5.429 -6.761 1.00 8.45 C ATOM 319 O SER A 20 -9.325 -6.483 -7.220 1.00 7.26 O ATOM 320 CB SER A 20 -11.981 -5.642 -7.723 1.00 8.57 C ATOM 321 OG SER A 20 -13.367 -5.506 -7.444 1.00 11.13 O ATOM 0 H SER A 20 -11.958 -3.498 -6.373 1.00 6.80 H new ATOM 0 HA SER A 20 -11.532 -6.143 -5.710 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.676 -4.936 -8.496 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.764 -6.641 -8.100 1.00 8.57 H new ATOM 0 HG SER A 20 -13.883 -5.667 -8.262 1.00 11.13 H new ATOM 327 N ASP A 21 -8.962 -4.356 -6.619 1.00 7.50 N ATOM 328 CA ASP A 21 -7.588 -4.237 -6.993 1.00 7.70 C ATOM 329 C ASP A 21 -6.664 -4.811 -5.975 1.00 7.08 C ATOM 330 O ASP A 21 -6.855 -4.741 -4.762 1.00 8.11 O ATOM 331 CB ASP A 21 -7.162 -2.828 -7.439 1.00 11.00 C ATOM 332 CG ASP A 21 -7.724 -2.420 -8.794 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.345 -3.033 -9.827 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.580 -1.505 -8.929 1.00 18.03 O ATOM 0 H ASP A 21 -9.313 -3.493 -6.203 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.500 -4.850 -7.890 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.485 -2.106 -6.689 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.074 -2.782 -7.478 1.00 11.00 H new ATOM 339 N THR A 22 -5.593 -5.473 -6.448 1.00 5.37 N ATOM 340 CA THR A 22 -4.691 -6.236 -5.642 1.00 6.01 C ATOM 341 C THR A 22 -3.619 -5.330 -5.141 1.00 8.01 C ATOM 342 O THR A 22 -3.417 -4.240 -5.673 1.00 8.11 O ATOM 343 CB THR A 22 -3.980 -7.384 -6.294 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.336 -6.940 -7.480 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.917 -8.552 -6.645 1.00 9.65 C ATOM 0 H THR A 22 -5.345 -5.476 -7.437 1.00 5.37 H new ATOM 0 HA THR A 22 -5.339 -6.669 -4.880 1.00 6.01 H new ATOM 0 HB THR A 22 -3.253 -7.752 -5.569 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.871 -7.693 -7.902 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.343 -9.351 -7.114 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.386 -8.928 -5.736 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.687 -8.206 -7.335 1.00 9.65 H new ATOM 353 N ILE A 23 -2.933 -5.841 -4.103 1.00 8.32 N ATOM 354 CA ILE A 23 -1.975 -5.050 -3.394 1.00 9.92 C ATOM 355 C ILE A 23 -0.731 -4.946 -4.208 1.00 10.01 C ATOM 356 O ILE A 23 0.040 -3.995 -4.086 1.00 8.71 O ATOM 357 CB ILE A 23 -1.720 -5.545 -2.001 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.030 -5.695 -1.209 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.610 -4.724 -1.323 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.540 -4.311 -0.811 1.00 12.30 C ATOM 0 H ILE A 23 -3.040 -6.794 -3.756 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.387 -4.050 -3.255 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.323 -6.559 -2.037 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.777 -6.211 -1.813 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.863 -6.303 -0.320 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.443 -5.101 -0.314 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.311 -4.811 -1.900 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.910 -3.677 -1.274 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.469 -4.413 -0.249 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.794 -3.813 -0.192 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.722 -3.718 -1.708 1.00 12.30 H new ATOM 372 N GLU A 24 -0.543 -5.829 -5.205 1.00 9.54 N ATOM 373 CA GLU A 24 0.391 -5.625 -6.268 1.00 11.81 C ATOM 374 C GLU A 24 0.118 -4.473 -7.173 1.00 11.14 C ATOM 375 O GLU A 24 1.060 -3.815 -7.613 1.00 10.62 O ATOM 376 CB GLU A 24 0.309 -6.938 -7.064 1.00 19.24 C ATOM 377 CG GLU A 24 1.199 -7.140 -8.292 1.00 27.76 C ATOM 378 CD GLU A 24 0.759 -8.292 -9.185 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.662 -9.456 -8.712 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.623 -8.007 -10.405 1.00 34.80 O ATOM 0 H GLU A 24 -1.055 -6.709 -5.274 1.00 9.54 H new ATOM 0 HA GLU A 24 1.367 -5.380 -5.850 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.522 -7.752 -6.371 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.725 -7.057 -7.389 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.208 -6.221 -8.878 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.223 -7.318 -7.962 1.00 27.76 H new ATOM 387 N ASN A 25 -1.159 -4.103 -7.374 1.00 9.43 N ATOM 388 CA ASN A 25 -1.582 -3.024 -8.212 1.00 10.96 C ATOM 389 C ASN A 25 -1.330 -1.726 -7.525 1.00 9.68 C ATOM 390 O ASN A 25 -0.938 -0.728 -8.130 1.00 9.33 O ATOM 391 CB ASN A 25 -3.048 -3.160 -8.656 1.00 16.78 C ATOM 392 CG ASN A 25 -3.295 -2.513 -10.011 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.363 -2.343 -10.796 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.544 -2.118 -10.377 1.00 24.70 N ATOM 0 H ASN A 25 -1.940 -4.584 -6.927 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.992 -3.058 -9.128 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.316 -4.215 -8.704 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.697 -2.700 -7.911 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.696 -1.689 -11.290 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.328 -2.251 -9.739 1.00 24.70 H new ATOM 401 N VAL A 26 -1.500 -1.668 -6.192 1.00 6.52 N ATOM 402 CA VAL A 26 -1.192 -0.599 -5.294 1.00 5.53 C ATOM 403 C VAL A 26 0.246 -0.219 -5.201 1.00 4.42 C ATOM 404 O VAL A 26 0.601 0.958 -5.233 1.00 3.40 O ATOM 405 CB VAL A 26 -1.778 -0.865 -3.939 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.524 0.291 -2.956 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.273 -1.201 -4.070 1.00 8.12 C ATOM 0 H VAL A 26 -1.899 -2.462 -5.691 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.662 0.279 -5.736 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.271 -1.731 -3.513 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.967 0.051 -1.990 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.451 0.438 -2.836 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.974 1.205 -3.345 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.691 -1.393 -3.082 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.796 -0.362 -4.528 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.394 -2.087 -4.693 1.00 8.12 H new ATOM 417 N LYS A 27 1.159 -1.191 -5.023 1.00 2.64 N ATOM 418 CA LYS A 27 2.551 -0.952 -5.245 1.00 4.14 C ATOM 419 C LYS A 27 2.884 -0.552 -6.642 1.00 5.58 C ATOM 420 O LYS A 27 3.698 0.361 -6.767 1.00 4.11 O ATOM 421 CB LYS A 27 3.404 -2.177 -4.872 1.00 3.97 C ATOM 422 CG LYS A 27 3.353 -2.551 -3.390 1.00 7.45 C ATOM 423 CD LYS A 27 4.217 -3.765 -3.043 1.00 9.02 C ATOM 424 CE LYS A 27 4.234 -4.226 -1.584 1.00 12.90 C ATOM 425 NZ LYS A 27 5.127 -5.405 -1.541 1.00 15.47 N ATOM 0 H LYS A 27 0.934 -2.140 -4.726 1.00 2.64 H new ATOM 0 HA LYS A 27 2.788 -0.111 -4.593 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.070 -3.031 -5.462 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.440 -1.982 -5.150 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.681 -1.698 -2.796 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.320 -2.757 -3.109 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.883 -4.602 -3.656 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.243 -3.543 -3.338 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.599 -3.435 -0.929 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.231 -4.483 -1.244 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.437 -5.570 -0.562 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.615 -6.241 -1.888 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.958 -5.233 -2.143 1.00 15.47 H new ATOM 439 N ALA A 28 2.258 -1.039 -7.728 1.00 6.61 N ATOM 440 CA ALA A 28 2.502 -0.546 -9.048 1.00 7.74 C ATOM 441 C ALA A 28 2.236 0.907 -9.240 1.00 9.17 C ATOM 442 O ALA A 28 3.071 1.557 -9.867 1.00 11.45 O ATOM 443 CB ALA A 28 1.649 -1.372 -10.026 1.00 7.68 C ATOM 0 H ALA A 28 1.569 -1.790 -7.689 1.00 6.61 H new ATOM 0 HA ALA A 28 3.570 -0.657 -9.235 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.815 -1.017 -11.043 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.932 -2.423 -9.957 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.595 -1.262 -9.771 1.00 7.68 H new ATOM 449 N LYS A 29 1.202 1.569 -8.690 1.00 8.96 N ATOM 450 CA LYS A 29 1.057 2.992 -8.684 1.00 7.90 C ATOM 451 C LYS A 29 2.173 3.755 -8.059 1.00 6.92 C ATOM 452 O LYS A 29 2.741 4.717 -8.575 1.00 6.87 O ATOM 453 CB LYS A 29 -0.252 3.411 -7.993 1.00 10.28 C ATOM 454 CG LYS A 29 -1.459 2.532 -8.323 1.00 14.94 C ATOM 455 CD LYS A 29 -1.956 2.774 -9.750 1.00 19.69 C ATOM 456 CE LYS A 29 -3.386 2.252 -9.908 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.732 2.462 -11.331 1.00 24.98 N ATOM 0 H LYS A 29 0.430 1.089 -8.227 1.00 8.96 H new ATOM 0 HA LYS A 29 1.057 3.249 -9.743 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.097 3.401 -6.914 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.481 4.439 -8.273 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.190 1.483 -8.204 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.264 2.737 -7.617 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -1.923 3.839 -9.979 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -1.298 2.275 -10.461 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.450 1.197 -9.641 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.074 2.789 -9.254 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.700 2.125 -11.506 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.672 3.475 -11.557 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.068 1.933 -11.932 1.00 24.98 H new ATOM 471 N ILE A 30 2.729 3.340 -6.907 1.00 4.57 N ATOM 472 CA ILE A 30 3.848 3.954 -6.261 1.00 5.58 C ATOM 473 C ILE A 30 5.109 3.813 -7.042 1.00 7.26 C ATOM 474 O ILE A 30 5.907 4.745 -7.122 1.00 9.46 O ATOM 475 CB ILE A 30 3.986 3.373 -4.885 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.741 3.641 -4.022 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.137 4.123 -4.195 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.610 2.606 -2.906 1.00 2.00 C ATOM 0 H ILE A 30 2.377 2.529 -6.397 1.00 4.57 H new ATOM 0 HA ILE A 30 3.664 5.026 -6.192 1.00 5.58 H new ATOM 0 HB ILE A 30 4.142 2.298 -4.980 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.803 4.640 -3.590 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.849 3.619 -4.648 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.274 3.732 -3.187 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.055 3.984 -4.766 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.899 5.185 -4.143 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.721 2.821 -2.313 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.524 1.610 -3.341 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.492 2.647 -2.266 1.00 2.00 H new ATOM 490 N GLN A 31 5.289 2.741 -7.835 1.00 7.06 N ATOM 491 CA GLN A 31 6.319 2.593 -8.816 1.00 8.67 C ATOM 492 C GLN A 31 6.087 3.589 -9.899 1.00 10.90 C ATOM 493 O GLN A 31 7.020 4.345 -10.169 1.00 9.63 O ATOM 494 CB GLN A 31 6.467 1.155 -9.343 1.00 9.12 C ATOM 495 CG GLN A 31 7.794 0.901 -10.063 1.00 10.76 C ATOM 496 CD GLN A 31 7.975 -0.606 -10.171 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.090 -1.403 -9.864 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.187 -1.071 -10.576 1.00 14.76 N ATOM 0 H GLN A 31 4.676 1.927 -7.787 1.00 7.06 H new ATOM 0 HA GLN A 31 7.280 2.793 -8.343 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.377 0.460 -8.508 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.645 0.941 -10.026 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.787 1.358 -11.052 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.621 1.348 -9.511 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.925 -0.415 -10.832 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.358 -2.075 -10.624 1.00 14.76 H new ATOM 507 N ASP A 32 4.905 3.694 -10.532 1.00 10.93 N ATOM 508 CA ASP A 32 4.613 4.682 -11.523 1.00 14.01 C ATOM 509 C ASP A 32 4.907 6.086 -11.120 1.00 14.04 C ATOM 510 O ASP A 32 5.411 6.782 -12.000 1.00 13.39 O ATOM 511 CB ASP A 32 3.219 4.260 -12.015 1.00 18.01 C ATOM 512 CG ASP A 32 2.590 5.141 -13.085 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.101 5.183 -14.237 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.624 5.878 -12.753 1.00 26.29 O ATOM 0 H ASP A 32 4.123 3.066 -10.346 1.00 10.93 H new ATOM 0 HA ASP A 32 5.286 4.713 -12.380 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.286 3.244 -12.403 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.547 4.230 -11.157 1.00 18.01 H new ATOM 519 N LYS A 33 4.554 6.430 -9.868 1.00 14.22 N ATOM 520 CA LYS A 33 4.708 7.728 -9.289 1.00 14.00 C ATOM 521 C LYS A 33 6.096 7.962 -8.802 1.00 12.37 C ATOM 522 O LYS A 33 6.891 8.483 -9.582 1.00 12.17 O ATOM 523 CB LYS A 33 3.837 7.961 -8.043 1.00 18.62 C ATOM 524 CG LYS A 33 2.353 8.098 -8.390 1.00 24.00 C ATOM 525 CD LYS A 33 1.549 8.630 -7.202 1.00 27.61 C ATOM 526 CE LYS A 33 0.042 8.811 -7.395 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.165 9.689 -8.569 1.00 30.06 N ATOM 0 H LYS A 33 4.136 5.760 -9.222 1.00 14.22 H new ATOM 0 HA LYS A 33 4.421 8.394 -10.103 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.971 7.131 -7.349 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.173 8.863 -7.531 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.237 8.770 -9.240 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.958 7.129 -8.694 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.702 7.953 -6.362 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.970 9.594 -6.915 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.441 7.846 -7.550 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.406 9.252 -6.505 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.169 9.953 -8.633 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.413 10.548 -8.466 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.116 9.184 -9.434 1.00 30.06 H new ATOM 541 N GLU A 34 6.448 7.564 -7.566 1.00 10.11 N ATOM 542 CA GLU A 34 7.717 7.820 -6.958 1.00 10.07 C ATOM 543 C GLU A 34 8.870 7.041 -7.488 1.00 9.32 C ATOM 544 O GLU A 34 10.018 7.481 -7.541 1.00 11.61 O ATOM 545 CB GLU A 34 7.602 7.535 -5.451 1.00 14.77 C ATOM 546 CG GLU A 34 6.445 8.258 -4.757 1.00 18.75 C ATOM 547 CD GLU A 34 6.389 9.770 -4.919 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.253 10.473 -4.330 1.00 25.19 O ATOM 549 OE2 GLU A 34 5.414 10.313 -5.503 1.00 21.95 O ATOM 0 H GLU A 34 5.817 7.038 -6.962 1.00 10.11 H new ATOM 0 HA GLU A 34 7.937 8.862 -7.191 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.483 6.461 -5.305 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.536 7.821 -4.967 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.510 7.841 -5.131 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.492 8.031 -3.692 1.00 18.75 H new ATOM 556 N GLY A 35 8.676 5.782 -7.920 1.00 7.22 N ATOM 557 CA GLY A 35 9.769 4.970 -8.356 1.00 6.29 C ATOM 558 C GLY A 35 10.322 4.073 -7.303 1.00 6.93 C ATOM 559 O GLY A 35 11.534 3.920 -7.159 1.00 7.41 O ATOM 0 H GLY A 35 7.764 5.327 -7.967 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.442 4.362 -9.200 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.566 5.618 -8.720 1.00 6.29 H new ATOM 563 N ILE A 36 9.511 3.444 -6.433 1.00 5.86 N ATOM 564 CA ILE A 36 9.886 2.497 -5.430 1.00 6.07 C ATOM 565 C ILE A 36 9.618 1.107 -5.895 1.00 6.36 C ATOM 566 O ILE A 36 8.440 0.786 -6.043 1.00 6.18 O ATOM 567 CB ILE A 36 9.184 2.669 -4.116 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.177 4.129 -3.635 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.914 1.830 -3.053 1.00 7.36 C ATOM 570 CD1 ILE A 36 10.513 4.872 -3.618 1.00 9.49 C ATOM 0 H ILE A 36 8.505 3.615 -6.434 1.00 5.86 H new ATOM 0 HA ILE A 36 10.949 2.679 -5.269 1.00 6.07 H new ATOM 0 HB ILE A 36 8.151 2.350 -4.257 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.489 4.689 -4.268 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.768 4.149 -2.625 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.414 1.946 -2.092 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.900 0.780 -3.345 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.946 2.169 -2.968 1.00 7.36 H new ATOM 0 HD11 ILE A 36 10.359 5.889 -3.258 1.00 9.49 H new ATOM 0 HD12 ILE A 36 11.209 4.354 -2.958 1.00 9.49 H new ATOM 0 HD13 ILE A 36 10.925 4.903 -4.627 1.00 9.49 H new ATOM 582 N PRO A 37 10.513 0.198 -6.147 1.00 8.65 N ATOM 583 CA PRO A 37 10.229 -1.110 -6.662 1.00 9.18 C ATOM 584 C PRO A 37 9.433 -1.967 -5.739 1.00 9.85 C ATOM 585 O PRO A 37 9.473 -1.655 -4.550 1.00 8.51 O ATOM 586 CB PRO A 37 11.600 -1.756 -6.844 1.00 11.42 C ATOM 587 CG PRO A 37 12.388 -0.572 -7.427 1.00 9.27 C ATOM 588 CD PRO A 37 11.855 0.580 -6.560 1.00 8.33 C ATOM 0 HA PRO A 37 9.635 -1.019 -7.571 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.020 -2.111 -5.903 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.570 -2.609 -7.522 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.465 -0.702 -7.325 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.184 -0.421 -8.487 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.496 0.743 -5.694 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.837 1.513 -7.123 1.00 8.33 H new ATOM 596 N PRO A 38 8.617 -2.924 -6.068 1.00 8.71 N ATOM 597 CA PRO A 38 7.685 -3.473 -5.126 1.00 9.08 C ATOM 598 C PRO A 38 8.273 -4.435 -4.152 1.00 9.28 C ATOM 599 O PRO A 38 7.614 -4.739 -3.159 1.00 6.50 O ATOM 600 CB PRO A 38 6.601 -4.075 -6.019 1.00 10.31 C ATOM 601 CG PRO A 38 7.331 -4.455 -7.317 1.00 10.81 C ATOM 602 CD PRO A 38 8.383 -3.341 -7.442 1.00 12.00 C ATOM 0 HA PRO A 38 7.298 -2.714 -4.447 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.143 -4.947 -5.552 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.802 -3.359 -6.209 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.790 -5.442 -7.251 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.656 -4.474 -8.172 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.297 -3.706 -7.910 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.020 -2.515 -8.054 1.00 12.00 H new ATOM 610 N ASP A 39 9.533 -4.868 -4.337 1.00 11.20 N ATOM 611 CA ASP A 39 10.232 -5.762 -3.468 1.00 14.96 C ATOM 612 C ASP A 39 10.610 -4.998 -2.246 1.00 13.99 C ATOM 613 O ASP A 39 10.723 -5.475 -1.118 1.00 13.75 O ATOM 614 CB ASP A 39 11.344 -6.544 -4.187 1.00 24.16 C ATOM 615 CG ASP A 39 10.781 -7.320 -5.369 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.800 -6.743 -6.489 1.00 34.22 O ATOM 617 OD2 ASP A 39 10.476 -8.527 -5.173 1.00 35.55 O ATOM 0 H ASP A 39 10.094 -4.578 -5.138 1.00 11.20 H new ATOM 0 HA ASP A 39 9.596 -6.583 -3.135 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.115 -5.855 -4.532 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.821 -7.232 -3.489 1.00 24.16 H new ATOM 622 N GLN A 40 10.798 -3.678 -2.422 1.00 11.60 N ATOM 623 CA GLN A 40 11.264 -2.748 -1.440 1.00 10.76 C ATOM 624 C GLN A 40 10.158 -2.244 -0.579 1.00 8.01 C ATOM 625 O GLN A 40 10.342 -1.627 0.469 1.00 8.96 O ATOM 626 CB GLN A 40 11.966 -1.522 -2.049 1.00 11.14 C ATOM 627 CG GLN A 40 13.075 -1.914 -3.027 1.00 14.85 C ATOM 628 CD GLN A 40 13.930 -0.707 -3.385 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.600 0.452 -3.138 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.165 -0.924 -3.911 1.00 18.16 N ATOM 0 H GLN A 40 10.610 -3.228 -3.318 1.00 11.60 H new ATOM 0 HA GLN A 40 11.982 -3.317 -0.849 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.231 -0.905 -2.565 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.388 -0.913 -1.249 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.700 -2.690 -2.584 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.636 -2.336 -3.931 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.468 -1.874 -4.127 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.789 -0.137 -4.090 1.00 18.16 H new ATOM 639 N GLN A 41 8.909 -2.360 -1.066 1.00 6.52 N ATOM 640 CA GLN A 41 7.862 -1.738 -0.316 1.00 3.87 C ATOM 641 C GLN A 41 7.190 -2.644 0.657 1.00 4.79 C ATOM 642 O GLN A 41 7.005 -3.852 0.516 1.00 6.34 O ATOM 643 CB GLN A 41 6.754 -1.246 -1.262 1.00 4.20 C ATOM 644 CG GLN A 41 7.163 -0.071 -2.152 1.00 3.20 C ATOM 645 CD GLN A 41 6.032 0.421 -3.044 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.922 0.733 -2.614 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.237 0.436 -4.388 1.00 7.13 N ATOM 0 H GLN A 41 8.634 -2.848 -1.918 1.00 6.52 H new ATOM 0 HA GLN A 41 8.353 -0.930 0.227 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.439 -2.075 -1.896 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.889 -0.953 -0.668 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.507 0.751 -1.524 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.006 -0.370 -2.775 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.149 0.181 -4.768 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.479 0.702 -5.017 1.00 7.13 H new ATOM 656 N ARG A 42 6.700 -2.070 1.771 1.00 5.73 N ATOM 657 CA ARG A 42 5.806 -2.729 2.671 1.00 6.97 C ATOM 658 C ARG A 42 4.805 -1.732 3.145 1.00 7.15 C ATOM 659 O ARG A 42 5.072 -0.710 3.775 1.00 7.33 O ATOM 660 CB ARG A 42 6.514 -3.201 3.952 1.00 13.23 C ATOM 661 CG ARG A 42 7.293 -4.498 3.726 1.00 21.27 C ATOM 662 CD ARG A 42 8.011 -4.983 4.987 1.00 26.14 C ATOM 663 NE ARG A 42 6.992 -5.247 6.041 1.00 32.26 N ATOM 664 CZ ARG A 42 7.033 -4.644 7.265 1.00 34.32 C ATOM 665 NH1 ARG A 42 7.800 -3.534 7.467 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.173 -5.050 8.245 1.00 36.39 N ATOM 0 H ARG A 42 6.933 -1.118 2.054 1.00 5.73 H new ATOM 0 HA ARG A 42 5.380 -3.576 2.134 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.195 -2.424 4.298 1.00 13.23 H new ATOM 0 HB3 ARG A 42 5.776 -3.353 4.740 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.608 -5.273 3.382 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.025 -4.344 2.933 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.579 -5.889 4.774 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.724 -4.233 5.329 1.00 26.14 H new ATOM 0 HE ARG A 42 6.236 -5.902 5.841 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.350 -3.147 6.700 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.824 -3.091 8.385 1.00 35.30 H new ATOM 0 HH21 ARG A 42 5.506 -5.799 8.060 1.00 36.39 H new ATOM 0 HH22 ARG A 42 6.198 -4.604 9.162 1.00 36.39 H new ATOM 680 N LEU A 43 3.559 -2.191 2.929 1.00 4.65 N ATOM 681 CA LEU A 43 2.419 -1.375 3.212 1.00 3.51 C ATOM 682 C LEU A 43 1.773 -1.942 4.429 1.00 5.56 C ATOM 683 O LEU A 43 1.341 -3.093 4.419 1.00 4.19 O ATOM 684 CB LEU A 43 1.539 -1.461 1.953 1.00 3.74 C ATOM 685 CG LEU A 43 2.091 -0.920 0.623 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.461 -1.535 -0.638 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.991 0.612 0.711 1.00 9.55 C ATOM 0 H LEU A 43 3.342 -3.118 2.562 1.00 4.65 H new ATOM 0 HA LEU A 43 2.636 -0.327 3.419 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.282 -2.509 1.801 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.609 -0.932 2.164 1.00 3.74 H new ATOM 0 HG LEU A 43 3.130 -1.225 0.496 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.914 -1.091 -1.525 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.633 -2.611 -0.643 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.389 -1.339 -0.642 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.370 1.055 -0.210 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.949 0.901 0.850 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.582 0.967 1.555 1.00 9.55 H new ATOM 699 N ILE A 44 1.628 -1.174 5.524 1.00 4.58 N ATOM 700 CA ILE A 44 1.189 -1.695 6.782 1.00 5.55 C ATOM 701 C ILE A 44 -0.119 -0.988 6.881 1.00 5.46 C ATOM 702 O ILE A 44 -0.223 0.219 6.670 1.00 6.04 O ATOM 703 CB ILE A 44 2.031 -1.383 7.983 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.347 -2.178 7.968 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.325 -1.614 9.329 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.459 -1.678 8.888 1.00 13.90 C ATOM 0 H ILE A 44 1.819 -0.172 5.536 1.00 4.58 H new ATOM 0 HA ILE A 44 1.199 -2.785 6.794 1.00 5.55 H new ATOM 0 HB ILE A 44 2.232 -0.315 7.904 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.124 -3.211 8.234 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.728 -2.187 6.947 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.005 -1.364 10.144 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.439 -0.982 9.388 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.030 -2.660 9.410 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.333 -2.322 8.786 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.726 -0.657 8.614 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.113 -1.698 9.921 1.00 13.90 H new ATOM 718 N PHE A 45 -1.162 -1.742 7.274 1.00 6.75 N ATOM 719 CA PHE A 45 -2.470 -1.294 7.637 1.00 4.70 C ATOM 720 C PHE A 45 -2.648 -1.632 9.078 1.00 6.34 C ATOM 721 O PHE A 45 -2.694 -2.798 9.466 1.00 5.45 O ATOM 722 CB PHE A 45 -3.566 -2.023 6.842 1.00 5.51 C ATOM 723 CG PHE A 45 -4.982 -1.569 6.938 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.190 -0.217 7.069 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.035 -2.453 6.909 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.479 0.260 7.042 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.326 -1.980 6.900 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.527 -0.631 7.076 1.00 6.84 C ATOM 0 H PHE A 45 -1.079 -2.756 7.343 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.557 -0.227 7.431 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.284 -1.984 5.790 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.540 -3.071 7.141 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.356 0.458 7.191 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.848 -3.517 6.893 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.667 1.322 6.995 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.161 -2.651 6.758 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.528 -0.263 7.244 1.00 6.84 H new ATOM 738 N ALA A 46 -2.530 -0.594 9.925 1.00 6.53 N ATOM 739 CA ALA A 46 -2.550 -0.664 11.353 1.00 7.15 C ATOM 740 C ALA A 46 -1.363 -1.344 11.944 1.00 9.00 C ATOM 741 O ALA A 46 -0.280 -0.767 12.024 1.00 11.15 O ATOM 742 CB ALA A 46 -3.906 -1.198 11.844 1.00 8.99 C ATOM 0 H ALA A 46 -2.412 0.361 9.587 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.454 0.353 11.734 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.906 -1.246 12.933 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.702 -0.532 11.510 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.073 -2.195 11.437 1.00 8.99 H new ATOM 748 N GLY A 47 -1.479 -2.592 12.434 1.00 9.35 N ATOM 749 CA GLY A 47 -0.346 -3.369 12.831 1.00 11.68 C ATOM 750 C GLY A 47 -0.068 -4.591 12.024 1.00 11.14 C ATOM 751 O GLY A 47 0.514 -5.498 12.618 1.00 13.93 O ATOM 0 H GLY A 47 -2.373 -3.068 12.556 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.536 -2.729 12.798 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.484 -3.669 13.870 1.00 11.68 H new ATOM 755 N LYS A 48 -0.411 -4.742 10.733 1.00 10.47 N ATOM 756 CA LYS A 48 -0.010 -5.832 9.899 1.00 8.82 C ATOM 757 C LYS A 48 0.158 -5.412 8.479 1.00 7.68 C ATOM 758 O LYS A 48 -0.325 -4.356 8.074 1.00 6.47 O ATOM 759 CB LYS A 48 -1.060 -6.955 9.862 1.00 9.74 C ATOM 760 CG LYS A 48 -2.382 -6.674 9.144 1.00 14.14 C ATOM 761 CD LYS A 48 -3.340 -7.859 9.285 1.00 16.32 C ATOM 762 CE LYS A 48 -4.649 -7.505 8.577 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.725 -8.521 8.632 1.00 23.92 N ATOM 0 H LYS A 48 -1.000 -4.067 10.245 1.00 10.47 H new ATOM 0 HA LYS A 48 0.928 -6.178 10.333 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.602 -7.826 9.392 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.290 -7.232 10.891 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.842 -5.777 9.558 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.193 -6.477 8.089 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.902 -8.756 8.847 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.524 -8.076 10.337 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -5.031 -6.580 9.008 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.426 -7.300 7.530 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -6.560 -8.171 8.120 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.393 -9.402 8.191 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.979 -8.704 9.624 1.00 23.92 H new ATOM 777 N GLN A 49 0.936 -6.228 7.746 1.00 8.89 N ATOM 778 CA GLN A 49 1.323 -6.007 6.387 1.00 7.18 C ATOM 779 C GLN A 49 0.280 -6.514 5.451 1.00 8.23 C ATOM 780 O GLN A 49 -0.341 -7.533 5.747 1.00 9.70 O ATOM 781 CB GLN A 49 2.714 -6.480 5.933 1.00 11.67 C ATOM 782 CG GLN A 49 3.019 -7.978 5.988 1.00 15.82 C ATOM 783 CD GLN A 49 4.432 -8.193 5.466 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.404 -7.545 5.850 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.541 -9.104 4.462 1.00 20.67 N ATOM 0 H GLN A 49 1.318 -7.094 8.126 1.00 8.89 H new ATOM 0 HA GLN A 49 1.412 -4.921 6.351 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.860 -6.147 4.905 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.457 -5.966 6.543 1.00 11.67 H new ATOM 0 HG2 GLN A 49 2.931 -8.347 7.010 1.00 15.82 H new ATOM 0 HG3 GLN A 49 2.302 -8.535 5.385 1.00 15.82 H new ATOM 0 HE21 GLN A 49 3.721 -9.630 4.160 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.443 -9.261 4.011 1.00 20.67 H new ATOM 794 N LEU A 50 -0.013 -5.738 4.392 1.00 6.51 N ATOM 795 CA LEU A 50 -0.904 -6.080 3.326 1.00 7.41 C ATOM 796 C LEU A 50 -0.109 -6.893 2.364 1.00 8.27 C ATOM 797 O LEU A 50 1.027 -6.556 2.034 1.00 8.34 O ATOM 798 CB LEU A 50 -1.429 -4.831 2.598 1.00 7.13 C ATOM 799 CG LEU A 50 -2.194 -3.852 3.505 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.438 -2.575 2.684 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.466 -4.453 4.127 1.00 8.14 C ATOM 0 H LEU A 50 0.399 -4.813 4.273 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.767 -6.615 3.722 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.588 -4.307 2.144 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.085 -5.145 1.786 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.597 -3.612 4.385 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.980 -1.850 3.291 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.482 -2.150 2.379 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.025 -2.818 1.799 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.953 -3.706 4.754 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -4.148 -4.762 3.334 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.200 -5.318 4.734 1.00 8.14 H new ATOM 813 N GLU A 51 -0.676 -8.045 1.963 1.00 9.43 N ATOM 814 CA GLU A 51 -0.066 -8.971 1.060 1.00 11.90 C ATOM 815 C GLU A 51 -0.431 -8.804 -0.375 1.00 11.49 C ATOM 816 O GLU A 51 -1.607 -8.734 -0.731 1.00 9.88 O ATOM 817 CB GLU A 51 -0.470 -10.356 1.592 1.00 16.56 C ATOM 818 CG GLU A 51 0.014 -10.560 3.029 1.00 26.06 C ATOM 819 CD GLU A 51 -0.044 -11.979 3.576 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.769 -12.838 3.142 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.900 -12.240 4.463 1.00 32.13 O ATOM 0 H GLU A 51 -1.598 -8.343 2.281 1.00 9.43 H new ATOM 0 HA GLU A 51 1.012 -8.808 1.043 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.554 -10.462 1.552 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.051 -11.131 0.951 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.045 -10.213 3.093 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.579 -9.919 3.682 1.00 26.06 H new ATOM 828 N ASP A 52 0.566 -8.841 -1.277 1.00 12.71 N ATOM 829 CA ASP A 52 0.611 -8.518 -2.669 1.00 16.56 C ATOM 830 C ASP A 52 -0.495 -9.174 -3.422 1.00 15.83 C ATOM 831 O ASP A 52 -1.115 -8.533 -4.269 1.00 17.21 O ATOM 832 CB ASP A 52 1.987 -8.870 -3.258 1.00 21.05 C ATOM 833 CG ASP A 52 3.117 -8.137 -2.549 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.422 -8.498 -1.381 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.734 -7.176 -3.083 1.00 28.37 O ATOM 0 H ASP A 52 1.489 -9.149 -0.971 1.00 12.71 H new ATOM 0 HA ASP A 52 0.465 -7.443 -2.771 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.149 -9.945 -3.182 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.002 -8.619 -4.319 1.00 21.05 H new ATOM 840 N GLY A 53 -0.728 -10.478 -3.191 1.00 15.00 N ATOM 841 CA GLY A 53 -1.540 -11.408 -3.913 1.00 11.77 C ATOM 842 C GLY A 53 -2.988 -11.253 -3.597 1.00 11.10 C ATOM 843 O GLY A 53 -3.862 -11.906 -4.165 1.00 11.25 O ATOM 0 H GLY A 53 -0.287 -10.935 -2.393 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.386 -11.268 -4.983 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.225 -12.424 -3.676 1.00 11.77 H new ATOM 847 N ARG A 54 -3.405 -10.451 -2.601 1.00 8.53 N ATOM 848 CA ARG A 54 -4.758 -10.226 -2.195 1.00 9.05 C ATOM 849 C ARG A 54 -5.276 -8.919 -2.687 1.00 8.96 C ATOM 850 O ARG A 54 -4.608 -8.100 -3.318 1.00 11.60 O ATOM 851 CB ARG A 54 -4.694 -10.175 -0.659 1.00 7.97 C ATOM 852 CG ARG A 54 -4.462 -11.441 0.169 1.00 9.62 C ATOM 853 CD ARG A 54 -5.630 -12.425 0.266 1.00 12.20 C ATOM 854 NE ARG A 54 -5.052 -13.657 0.873 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.759 -14.810 1.062 1.00 22.08 C ATOM 856 NH1 ARG A 54 -7.115 -14.830 0.906 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.068 -15.863 1.590 1.00 25.50 N ATOM 0 H ARG A 54 -2.743 -9.919 -2.036 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.416 -11.000 -2.590 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.901 -9.474 -0.397 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.632 -9.738 -0.316 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.606 -11.970 -0.251 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.186 -11.140 1.180 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -6.434 -12.022 0.882 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -6.054 -12.632 -0.717 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.074 -13.638 1.163 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -7.611 -13.978 0.646 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -7.632 -15.697 1.050 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -4.079 -15.761 1.819 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.541 -16.752 1.755 1.00 25.50 H new ATOM 871 N THR A 55 -6.607 -8.758 -2.579 1.00 9.05 N ATOM 872 CA THR A 55 -7.290 -7.550 -2.923 1.00 9.03 C ATOM 873 C THR A 55 -7.342 -6.681 -1.713 1.00 8.15 C ATOM 874 O THR A 55 -7.033 -7.176 -0.631 1.00 5.91 O ATOM 875 CB THR A 55 -8.691 -7.754 -3.420 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.399 -8.560 -2.490 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.688 -8.531 -4.747 1.00 11.71 C ATOM 0 H THR A 55 -7.228 -9.493 -2.241 1.00 9.05 H new ATOM 0 HA THR A 55 -6.732 -7.098 -3.743 1.00 9.03 H new ATOM 0 HB THR A 55 -9.148 -6.773 -3.549 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.317 -8.228 -2.402 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.713 -8.668 -5.090 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.127 -7.971 -5.495 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.222 -9.505 -4.597 1.00 11.71 H new ATOM 885 N LEU A 56 -7.776 -5.415 -1.846 1.00 6.91 N ATOM 886 CA LEU A 56 -8.114 -4.456 -0.840 1.00 8.29 C ATOM 887 C LEU A 56 -9.403 -4.815 -0.183 1.00 8.05 C ATOM 888 O LEU A 56 -9.514 -4.517 1.005 1.00 10.17 O ATOM 889 CB LEU A 56 -8.286 -3.087 -1.520 1.00 6.60 C ATOM 890 CG LEU A 56 -6.947 -2.396 -1.827 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.121 -1.061 -2.571 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.169 -1.998 -0.561 1.00 9.85 C ATOM 0 H LEU A 56 -7.905 -5.018 -2.777 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.325 -4.433 -0.089 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.843 -3.216 -2.448 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.883 -2.441 -0.877 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.420 -3.143 -2.421 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.142 -0.620 -2.760 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.629 -1.236 -3.519 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.715 -0.380 -1.962 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.234 -1.515 -0.845 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.768 -1.307 0.032 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.953 -2.889 0.028 1.00 9.85 H new ATOM 904 N SER A 57 -10.373 -5.461 -0.854 1.00 8.92 N ATOM 905 CA SER A 57 -11.670 -5.924 -0.469 1.00 9.00 C ATOM 906 C SER A 57 -11.607 -7.010 0.550 1.00 9.44 C ATOM 907 O SER A 57 -12.402 -7.077 1.486 1.00 10.91 O ATOM 908 CB SER A 57 -12.576 -6.310 -1.650 1.00 10.32 C ATOM 909 OG SER A 57 -11.997 -7.216 -2.577 1.00 13.59 O ATOM 0 H SER A 57 -10.211 -5.694 -1.834 1.00 8.92 H new ATOM 0 HA SER A 57 -12.144 -5.060 -0.003 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.492 -6.751 -1.257 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.862 -5.402 -2.182 1.00 10.32 H new ATOM 0 HG SER A 57 -11.458 -6.719 -3.227 1.00 13.59 H new ATOM 915 N ASP A 58 -10.581 -7.878 0.597 1.00 9.11 N ATOM 916 CA ASP A 58 -10.370 -8.901 1.574 1.00 7.91 C ATOM 917 C ASP A 58 -10.206 -8.321 2.937 1.00 9.12 C ATOM 918 O ASP A 58 -10.837 -8.687 3.927 1.00 8.61 O ATOM 919 CB ASP A 58 -9.155 -9.670 1.028 1.00 8.41 C ATOM 920 CG ASP A 58 -8.866 -10.961 1.781 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.759 -11.850 1.782 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.842 -11.201 2.474 1.00 11.70 O ATOM 0 H ASP A 58 -9.841 -7.862 -0.105 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.213 -9.578 1.712 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.324 -9.902 -0.024 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.276 -9.027 1.075 1.00 8.41 H new ATOM 927 N TYR A 59 -9.394 -7.249 2.972 1.00 7.97 N ATOM 928 CA TYR A 59 -8.998 -6.496 4.121 1.00 8.45 C ATOM 929 C TYR A 59 -10.052 -5.552 4.591 1.00 10.98 C ATOM 930 O TYR A 59 -10.013 -4.965 5.671 1.00 12.95 O ATOM 931 CB TYR A 59 -7.717 -5.677 3.889 1.00 7.94 C ATOM 932 CG TYR A 59 -6.449 -6.443 3.731 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.877 -7.003 4.849 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.976 -6.697 2.465 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.769 -7.801 4.681 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.930 -7.574 2.303 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.272 -8.032 3.421 1.00 6.76 C ATOM 938 OH TYR A 59 -3.162 -8.897 3.316 1.00 7.63 O ATOM 0 H TYR A 59 -8.978 -6.878 2.118 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.818 -7.256 4.881 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.860 -5.069 2.996 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.597 -4.990 4.727 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.286 -6.821 5.832 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.421 -6.213 1.608 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.289 -8.246 5.540 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.630 -7.897 1.317 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.253 -9.450 2.512 1.00 7.63 H new ATOM 948 N ASN A 60 -11.084 -5.341 3.756 1.00 12.38 N ATOM 949 CA ASN A 60 -12.067 -4.305 3.827 1.00 13.94 C ATOM 950 C ASN A 60 -11.584 -2.910 3.624 1.00 14.16 C ATOM 951 O ASN A 60 -12.037 -1.957 4.257 1.00 14.26 O ATOM 952 CB ASN A 60 -13.136 -4.399 4.928 1.00 19.23 C ATOM 953 CG ASN A 60 -13.979 -5.657 4.775 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.951 -6.500 5.670 1.00 25.45 O ATOM 955 ND2 ASN A 60 -14.624 -5.760 3.582 1.00 24.09 N ATOM 0 H ASN A 60 -11.244 -5.954 2.957 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.610 -4.563 2.918 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -12.655 -4.398 5.906 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.780 -3.520 4.889 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -15.153 -6.603 3.359 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.579 -4.994 2.910 1.00 24.09 H new ATOM 962 N ILE A 61 -10.542 -2.646 2.816 1.00 11.08 N ATOM 963 CA ILE A 61 -9.938 -1.350 2.791 1.00 11.78 C ATOM 964 C ILE A 61 -10.854 -0.545 1.935 1.00 13.74 C ATOM 965 O ILE A 61 -11.263 -0.978 0.859 1.00 14.60 O ATOM 966 CB ILE A 61 -8.523 -1.326 2.294 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.713 -2.068 3.371 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.883 0.053 2.066 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.356 -2.670 3.009 1.00 11.42 C ATOM 0 H ILE A 61 -10.119 -3.325 2.183 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.831 -0.952 3.800 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.522 -1.775 1.301 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.553 -1.374 4.196 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -8.338 -2.876 3.751 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.862 -0.075 1.708 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.461 0.604 1.325 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.872 0.608 3.004 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.927 -3.154 3.886 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.485 -3.406 2.215 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.687 -1.880 2.667 1.00 11.42 H new ATOM 981 N GLN A 62 -11.325 0.599 2.462 1.00 13.97 N ATOM 982 CA GLN A 62 -12.355 1.476 1.997 1.00 15.52 C ATOM 983 C GLN A 62 -11.830 2.732 1.391 1.00 13.94 C ATOM 984 O GLN A 62 -10.633 3.017 1.404 1.00 12.15 O ATOM 985 CB GLN A 62 -13.170 1.842 3.249 1.00 19.53 C ATOM 986 CG GLN A 62 -14.154 0.760 3.701 1.00 26.38 C ATOM 987 CD GLN A 62 -14.693 1.162 5.066 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.630 1.956 5.136 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.179 0.660 6.221 1.00 32.71 N ATOM 0 H GLN A 62 -10.926 0.952 3.332 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.932 0.978 1.218 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.481 2.054 4.067 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.724 2.760 3.052 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.968 0.660 2.983 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.657 -0.209 3.757 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.402 0.000 6.189 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.571 0.943 7.119 1.00 32.71 H new ATOM 998 N LYS A 63 -12.715 3.680 1.035 1.00 11.73 N ATOM 999 CA LYS A 63 -12.494 5.002 0.535 1.00 11.97 C ATOM 1000 C LYS A 63 -11.888 5.852 1.599 1.00 10.41 C ATOM 1001 O LYS A 63 -12.250 5.829 2.774 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.672 5.712 -0.152 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.802 6.212 0.749 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.829 7.092 0.033 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.310 8.492 -0.299 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.382 9.420 0.851 1.00 25.97 N ATOM 0 H LYS A 63 -13.714 3.490 1.109 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.802 4.857 -0.295 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.278 6.564 -0.705 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.100 5.027 -0.884 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.314 5.353 1.182 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.370 6.775 1.576 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.137 6.600 -0.889 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.717 7.182 0.658 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -14.276 8.420 -0.637 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.889 8.902 -1.127 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -14.579 10.079 0.816 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.272 9.956 0.809 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.346 8.878 1.738 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.885 6.667 1.228 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.134 7.591 2.020 1.00 10.94 C ATOM 1022 C GLU A 64 -9.572 6.932 3.233 1.00 9.74 C ATOM 1023 O GLU A 64 -9.303 7.598 4.232 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.908 8.900 2.250 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.223 9.565 0.909 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.075 10.793 1.194 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.603 11.606 2.033 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.082 11.067 0.488 1.00 31.72 O ATOM 0 H GLU A 64 -10.566 6.677 0.259 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.252 7.912 1.466 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.833 8.695 2.790 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.320 9.576 2.871 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.304 9.847 0.396 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.754 8.874 0.254 1.00 24.16 H new ATOM 1035 N SER A 65 -9.205 5.642 3.131 1.00 6.85 N ATOM 1036 CA SER A 65 -8.366 4.939 4.051 1.00 6.90 C ATOM 1037 C SER A 65 -6.941 5.326 3.855 1.00 4.72 C ATOM 1038 O SER A 65 -6.700 5.823 2.756 1.00 3.91 O ATOM 1039 CB SER A 65 -8.491 3.406 4.017 1.00 7.28 C ATOM 1040 OG SER A 65 -8.013 2.704 5.155 1.00 10.56 O ATOM 0 H SER A 65 -9.514 5.054 2.357 1.00 6.85 H new ATOM 0 HA SER A 65 -8.723 5.242 5.036 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.542 3.153 3.877 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.956 3.040 3.141 1.00 7.28 H new ATOM 0 HG SER A 65 -8.144 1.742 5.024 1.00 10.56 H new ATOM 1046 N THR A 66 -6.227 5.216 4.989 1.00 4.48 N ATOM 1047 CA THR A 66 -4.835 5.496 5.157 1.00 3.80 C ATOM 1048 C THR A 66 -4.080 4.231 5.382 1.00 4.60 C ATOM 1049 O THR A 66 -4.219 3.564 6.406 1.00 5.33 O ATOM 1050 CB THR A 66 -4.440 6.484 6.214 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.068 7.724 5.924 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.915 6.679 6.177 1.00 3.40 C ATOM 0 H THR A 66 -6.660 4.906 5.859 1.00 4.48 H new ATOM 0 HA THR A 66 -4.576 5.987 4.219 1.00 3.80 H new ATOM 0 HB THR A 66 -4.742 6.124 7.198 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.822 8.383 6.607 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.621 7.396 6.943 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.422 5.725 6.364 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.620 7.054 5.197 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.269 3.971 4.341 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.289 2.930 4.372 1.00 3.85 C ATOM 1062 C LEU A 67 -0.993 3.577 4.719 1.00 3.80 C ATOM 1063 O LEU A 67 -0.795 4.776 4.531 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.126 2.151 3.056 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.392 1.719 2.296 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.100 0.894 1.031 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.279 0.921 3.266 1.00 8.12 C ATOM 0 H LEU A 67 -3.294 4.491 3.464 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.618 2.189 5.100 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.527 2.762 2.381 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.547 1.253 3.272 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.898 2.618 1.945 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.039 0.625 0.547 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.494 1.484 0.344 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.560 -0.012 1.304 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -5.185 0.602 2.751 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.735 0.045 3.620 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.546 1.550 4.116 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.057 2.752 5.222 1.00 2.94 N ATOM 1080 CA HIS A 68 1.140 3.276 5.805 1.00 4.17 C ATOM 1081 C HIS A 68 2.281 2.636 5.092 1.00 5.32 C ATOM 1082 O HIS A 68 2.295 1.406 5.092 1.00 7.70 O ATOM 1083 CB HIS A 68 1.212 3.041 7.323 1.00 5.57 C ATOM 1084 CG HIS A 68 0.341 4.047 8.015 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.808 3.632 8.656 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.490 5.342 8.401 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.256 4.688 9.387 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.492 5.759 9.276 1.00 16.30 N ATOM 0 H HIS A 68 -0.126 1.734 5.226 1.00 2.94 H new ATOM 0 HA HIS A 68 1.167 4.360 5.689 1.00 4.17 H new ATOM 0 HB2 HIS A 68 0.883 2.030 7.563 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.241 3.132 7.670 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.293 5.978 8.059 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.147 4.654 9.997 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.601 6.668 9.725 1.00 16.30 H new ATOM 1096 N LEU A 69 3.233 3.361 4.478 1.00 5.29 N ATOM 1097 CA LEU A 69 4.233 2.748 3.661 1.00 3.97 C ATOM 1098 C LEU A 69 5.561 2.886 4.321 1.00 5.07 C ATOM 1099 O LEU A 69 6.050 4.001 4.497 1.00 4.34 O ATOM 1100 CB LEU A 69 4.255 3.420 2.277 1.00 6.08 C ATOM 1101 CG LEU A 69 5.348 3.124 1.236 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.423 1.651 0.803 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.159 4.045 0.019 1.00 6.87 C ATOM 0 H LEU A 69 3.310 4.376 4.548 1.00 5.29 H new ATOM 0 HA LEU A 69 4.005 1.690 3.534 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.301 3.190 1.803 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.273 4.496 2.452 1.00 6.08 H new ATOM 0 HG LEU A 69 6.304 3.327 1.719 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.219 1.528 0.068 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.632 1.027 1.672 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.472 1.353 0.362 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.933 3.836 -0.719 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.179 3.867 -0.423 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.231 5.086 0.336 1.00 6.87 H new ATOM 1115 N VAL A 70 6.257 1.754 4.529 1.00 4.29 N ATOM 1116 CA VAL A 70 7.624 1.756 4.950 1.00 6.26 C ATOM 1117 C VAL A 70 8.424 0.915 4.015 1.00 9.22 C ATOM 1118 O VAL A 70 7.986 -0.062 3.411 1.00 9.36 O ATOM 1119 CB VAL A 70 7.758 1.524 6.426 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.273 2.646 7.358 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.023 0.222 6.787 1.00 8.54 C ATOM 0 H VAL A 70 5.864 0.821 4.403 1.00 4.29 H new ATOM 0 HA VAL A 70 8.076 2.744 4.865 1.00 6.26 H new ATOM 0 HB VAL A 70 8.833 1.478 6.600 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.427 2.349 8.395 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.835 3.557 7.154 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.212 2.828 7.187 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.111 0.039 7.858 1.00 8.54 H new ATOM 0 HG22 VAL A 70 5.970 0.313 6.520 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.466 -0.610 6.239 1.00 8.54 H new ATOM 1131 N LEU A 71 9.704 1.314 3.913 1.00 12.71 N ATOM 1132 CA LEU A 71 10.517 0.789 2.860 1.00 16.06 C ATOM 1133 C LEU A 71 11.565 -0.120 3.402 1.00 18.09 C ATOM 1134 O LEU A 71 11.778 -0.187 4.612 1.00 19.26 O ATOM 1135 CB LEU A 71 11.228 1.901 2.072 1.00 17.10 C ATOM 1136 CG LEU A 71 10.347 2.979 1.418 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.283 3.840 0.552 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.126 2.415 0.672 1.00 17.51 C ATOM 0 H LEU A 71 10.165 1.977 4.536 1.00 12.71 H new ATOM 0 HA LEU A 71 9.843 0.247 2.197 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.925 2.399 2.746 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.823 1.431 1.289 1.00 17.10 H new ATOM 0 HG LEU A 71 9.874 3.600 2.179 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.706 4.625 0.062 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.049 4.292 1.183 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.758 3.214 -0.203 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.554 3.235 0.238 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.461 1.747 -0.121 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.496 1.863 1.370 1.00 17.51 H new