USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00339) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.06 (180deg=0.414) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.175 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0.339 (180deg=0.0132) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.3 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0878 K(o=-0.088,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0.938 K(o=0.94,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.752 K(o=0.75,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.515 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 1.03 (180deg=-0.349) 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= -0.105 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.016 2.695 -3.961 1.00 9.67 N ATOM 2 CA MET A 1 -11.877 3.676 -2.862 1.00 10.38 C ATOM 3 C MET A 1 -10.566 4.358 -2.673 1.00 9.62 C ATOM 4 O MET A 1 -9.544 3.873 -3.155 1.00 9.62 O ATOM 5 CB MET A 1 -12.202 2.977 -1.531 1.00 13.77 C ATOM 6 CG MET A 1 -11.274 1.804 -1.210 1.00 16.29 C ATOM 7 SD MET A 1 -11.682 0.789 0.243 1.00 17.17 S ATOM 8 CE MET A 1 -10.316 -0.344 -0.140 1.00 16.11 C ATOM 0 H1 MET A 1 -12.635 1.917 -3.656 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.431 3.162 -4.793 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.080 2.315 -4.208 1.00 9.67 H new ATOM 0 HA MET A 1 -12.566 4.466 -3.161 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.143 3.707 -0.724 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.231 2.617 -1.561 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.245 1.149 -2.081 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.267 2.198 -1.074 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.270 -1.127 0.616 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.480 -0.794 -1.119 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.376 0.208 -0.148 1.00 16.11 H new ATOM 20 N GLN A 2 -10.409 5.487 -1.959 1.00 9.27 N ATOM 21 CA GLN A 2 -9.172 6.201 -1.885 1.00 9.07 C ATOM 22 C GLN A 2 -8.468 5.690 -0.675 1.00 8.72 C ATOM 23 O GLN A 2 -9.059 5.673 0.403 1.00 8.22 O ATOM 24 CB GLN A 2 -9.516 7.684 -1.670 1.00 14.46 C ATOM 25 CG GLN A 2 -10.094 8.409 -2.887 1.00 17.01 C ATOM 26 CD GLN A 2 -10.164 9.901 -2.595 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.282 10.580 -3.118 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.181 10.419 -1.855 1.00 19.49 N ATOM 0 H GLN A 2 -11.161 5.915 -1.419 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.560 6.079 -2.779 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.232 7.758 -0.851 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.613 8.206 -1.353 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.472 8.227 -3.763 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.088 8.024 -3.116 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.882 9.800 -1.448 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.243 11.426 -1.707 1.00 19.49 H new ATOM 37 N ILE A 3 -7.222 5.190 -0.762 1.00 5.87 N ATOM 38 CA ILE A 3 -6.368 4.916 0.352 1.00 5.07 C ATOM 39 C ILE A 3 -5.238 5.886 0.365 1.00 4.01 C ATOM 40 O ILE A 3 -4.922 6.572 -0.606 1.00 4.61 O ATOM 41 CB ILE A 3 -6.044 3.464 0.544 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.110 2.881 -0.530 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.376 2.696 0.584 1.00 5.58 C ATOM 44 CD1 ILE A 3 -3.680 3.402 -0.659 1.00 10.83 C ATOM 0 H ILE A 3 -6.788 4.965 -1.657 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.913 5.096 1.279 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.490 3.360 1.477 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.050 1.806 -0.359 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.596 3.024 -1.495 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.179 1.633 0.723 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.983 3.064 1.411 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.911 2.846 -0.354 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.172 2.876 -1.467 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.700 4.470 -0.878 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -3.146 3.233 0.276 1.00 10.83 H new ATOM 56 N PHE A 4 -4.531 5.909 1.510 1.00 4.55 N ATOM 57 CA PHE A 4 -3.368 6.727 1.654 1.00 4.68 C ATOM 58 C PHE A 4 -2.081 6.017 1.901 1.00 5.30 C ATOM 59 O PHE A 4 -1.875 5.249 2.840 1.00 5.58 O ATOM 60 CB PHE A 4 -3.482 7.719 2.824 1.00 4.83 C ATOM 61 CG PHE A 4 -4.736 8.521 2.904 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.234 9.156 1.791 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.367 8.722 4.109 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.378 9.918 1.840 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.409 9.617 4.178 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.865 10.291 3.070 1.00 8.90 C ATOM 0 H PHE A 4 -4.766 5.360 2.337 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.339 7.206 0.675 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.375 7.161 3.754 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.640 8.409 2.768 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.712 9.054 0.851 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.049 8.184 4.990 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -6.882 10.216 0.933 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -6.883 9.796 5.132 1.00 10.61 H new ATOM 0 HZ PHE A 4 -7.585 11.090 3.163 1.00 8.90 H new ATOM 76 N VAL A 5 -1.095 6.207 1.007 1.00 4.44 N ATOM 77 CA VAL A 5 0.205 5.635 1.171 1.00 3.87 C ATOM 78 C VAL A 5 1.234 6.561 1.724 1.00 4.93 C ATOM 79 O VAL A 5 1.656 7.510 1.065 1.00 6.84 O ATOM 80 CB VAL A 5 0.752 4.918 -0.027 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.943 4.076 0.461 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.336 4.007 -0.621 1.00 9.13 C ATOM 0 H VAL A 5 -1.201 6.765 0.159 1.00 4.44 H new ATOM 0 HA VAL A 5 0.002 4.877 1.928 1.00 3.87 H new ATOM 0 HB VAL A 5 1.067 5.619 -0.800 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.375 3.534 -0.381 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.698 4.731 0.896 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.602 3.365 1.214 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.061 3.486 -1.492 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.648 3.278 0.127 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.193 4.611 -0.919 1.00 9.13 H new ATOM 92 N LYS A 6 1.655 6.444 2.996 1.00 6.04 N ATOM 93 CA LYS A 6 2.506 7.389 3.649 1.00 6.12 C ATOM 94 C LYS A 6 3.893 6.847 3.709 1.00 6.57 C ATOM 95 O LYS A 6 4.124 5.701 4.090 1.00 5.76 O ATOM 96 CB LYS A 6 2.035 7.569 5.102 1.00 7.45 C ATOM 97 CG LYS A 6 2.967 8.552 5.813 1.00 11.12 C ATOM 98 CD LYS A 6 2.951 8.509 7.342 1.00 14.54 C ATOM 99 CE LYS A 6 3.536 7.314 8.098 1.00 18.84 C ATOM 100 NZ LYS A 6 3.166 7.403 9.528 1.00 20.55 N ATOM 0 H LYS A 6 1.392 5.660 3.593 1.00 6.04 H new ATOM 0 HA LYS A 6 2.476 8.331 3.101 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.011 7.941 5.122 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.036 6.609 5.619 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.986 8.364 5.475 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.707 9.562 5.495 1.00 11.12 H new ATOM 0 HD2 LYS A 6 3.475 9.398 7.693 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.911 8.608 7.654 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.162 6.383 7.672 1.00 18.84 H new ATOM 0 HE3 LYS A 6 4.621 7.300 7.993 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.564 6.590 10.041 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.543 8.285 9.930 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.130 7.396 9.620 1.00 20.55 H new ATOM 114 N THR A 7 4.966 7.591 3.385 1.00 7.41 N ATOM 115 CA THR A 7 6.335 7.200 3.252 1.00 7.48 C ATOM 116 C THR A 7 7.067 7.414 4.532 1.00 8.75 C ATOM 117 O THR A 7 6.435 7.808 5.511 1.00 8.58 O ATOM 118 CB THR A 7 7.095 7.676 2.049 1.00 9.61 C ATOM 119 OG1 THR A 7 7.474 9.044 2.082 1.00 11.78 O ATOM 120 CG2 THR A 7 6.233 7.457 0.794 1.00 9.17 C ATOM 0 H THR A 7 4.856 8.587 3.194 1.00 7.41 H new ATOM 0 HA THR A 7 6.276 6.134 3.034 1.00 7.48 H new ATOM 0 HB THR A 7 8.017 7.095 2.039 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.964 9.267 1.263 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.777 7.800 -0.086 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.006 6.396 0.689 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.304 8.019 0.888 1.00 9.17 H new ATOM 128 N LEU A 8 8.382 7.130 4.531 1.00 9.84 N ATOM 129 CA LEU A 8 9.329 7.317 5.587 1.00 14.15 C ATOM 130 C LEU A 8 9.585 8.784 5.631 1.00 17.37 C ATOM 131 O LEU A 8 9.212 9.404 6.626 1.00 17.01 O ATOM 132 CB LEU A 8 10.569 6.408 5.551 1.00 16.63 C ATOM 133 CG LEU A 8 10.259 4.903 5.613 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.540 4.063 5.750 1.00 18.59 C ATOM 135 CD2 LEU A 8 9.410 4.592 6.857 1.00 19.31 C ATOM 0 H LEU A 8 8.825 6.728 3.704 1.00 9.84 H new ATOM 0 HA LEU A 8 8.918 6.976 6.537 1.00 14.15 H new ATOM 0 HB2 LEU A 8 11.128 6.614 4.638 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.218 6.667 6.387 1.00 16.63 H new ATOM 0 HG LEU A 8 9.739 4.655 4.688 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.279 3.005 5.791 1.00 18.59 H new ATOM 0 HD12 LEU A 8 12.187 4.244 4.892 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.063 4.343 6.665 1.00 18.59 H new ATOM 0 HD21 LEU A 8 9.195 3.524 6.893 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.958 4.882 7.753 1.00 19.31 H new ATOM 0 HD23 LEU A 8 8.474 5.149 6.807 1.00 19.31 H new ATOM 147 N THR A 9 10.221 9.299 4.564 1.00 18.33 N ATOM 148 CA THR A 9 10.503 10.685 4.351 1.00 19.24 C ATOM 149 C THR A 9 9.940 11.035 3.016 1.00 19.48 C ATOM 150 O THR A 9 10.281 10.500 1.962 1.00 23.14 O ATOM 151 CB THR A 9 11.933 11.134 4.301 1.00 18.97 C ATOM 152 OG1 THR A 9 12.687 10.483 5.312 1.00 20.24 O ATOM 153 CG2 THR A 9 11.896 12.651 4.553 1.00 19.70 C ATOM 0 H THR A 9 10.559 8.710 3.803 1.00 18.33 H new ATOM 0 HA THR A 9 10.077 11.174 5.228 1.00 19.24 H new ATOM 0 HB THR A 9 12.402 10.895 3.346 1.00 18.97 H new ATOM 0 HG1 THR A 9 13.619 10.782 5.269 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.911 13.048 4.530 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.300 13.134 3.779 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.451 12.847 5.529 1.00 19.70 H new ATOM 161 N GLY A 10 9.148 12.120 2.958 1.00 19.43 N ATOM 162 CA GLY A 10 8.588 12.613 1.738 1.00 18.74 C ATOM 163 C GLY A 10 7.241 13.179 2.031 1.00 17.62 C ATOM 164 O GLY A 10 7.217 14.147 2.790 1.00 19.74 O ATOM 0 H GLY A 10 8.890 12.668 3.779 1.00 19.43 H new ATOM 0 HA2 GLY A 10 9.234 13.377 1.306 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.510 11.810 1.005 1.00 18.74 H new ATOM 168 N LYS A 11 6.196 12.533 1.482 1.00 13.56 N ATOM 169 CA LYS A 11 4.846 12.977 1.636 1.00 11.91 C ATOM 170 C LYS A 11 4.042 11.752 1.367 1.00 10.18 C ATOM 171 O LYS A 11 4.452 10.682 0.921 1.00 9.10 O ATOM 172 CB LYS A 11 4.472 14.117 0.673 1.00 13.43 C ATOM 173 CG LYS A 11 4.571 13.681 -0.790 1.00 16.69 C ATOM 174 CD LYS A 11 3.979 14.701 -1.765 1.00 17.92 C ATOM 175 CE LYS A 11 3.618 14.169 -3.153 1.00 20.81 C ATOM 176 NZ LYS A 11 3.001 15.200 -4.017 1.00 21.93 N ATOM 0 H LYS A 11 6.291 11.687 0.921 1.00 13.56 H new ATOM 0 HA LYS A 11 4.671 13.401 2.625 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.457 14.453 0.884 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.131 14.968 0.844 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.618 13.513 -1.042 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.056 12.728 -0.914 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.081 15.126 -1.315 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.692 15.517 -1.884 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.517 13.786 -3.636 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.931 13.330 -3.048 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 2.776 14.787 -4.945 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.128 15.548 -3.572 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.665 15.991 -4.142 1.00 21.93 H new ATOM 190 N THR A 12 2.769 11.841 1.792 1.00 9.63 N ATOM 191 CA THR A 12 1.781 10.821 1.626 1.00 9.85 C ATOM 192 C THR A 12 0.982 10.993 0.381 1.00 11.66 C ATOM 193 O THR A 12 0.556 12.082 -0.002 1.00 12.33 O ATOM 194 CB THR A 12 0.832 11.009 2.773 1.00 10.85 C ATOM 195 OG1 THR A 12 1.530 11.014 4.009 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.372 10.070 2.957 1.00 9.63 C ATOM 0 H THR A 12 2.412 12.665 2.275 1.00 9.63 H new ATOM 0 HA THR A 12 2.269 9.847 1.581 1.00 9.85 H new ATOM 0 HB THR A 12 0.389 11.960 2.479 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.894 11.139 4.744 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.935 10.370 3.841 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.016 10.128 2.079 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.019 9.046 3.081 1.00 9.63 H new ATOM 204 N ILE A 13 0.739 9.923 -0.398 1.00 10.42 N ATOM 205 CA ILE A 13 0.092 9.908 -1.673 1.00 11.84 C ATOM 206 C ILE A 13 -1.248 9.262 -1.585 1.00 10.55 C ATOM 207 O ILE A 13 -1.345 8.238 -0.911 1.00 11.92 O ATOM 208 CB ILE A 13 0.931 9.255 -2.730 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.149 7.751 -2.491 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.249 10.043 -2.811 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.074 6.979 -3.430 1.00 16.46 C ATOM 0 H ILE A 13 1.021 8.987 -0.108 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.045 10.948 -1.971 1.00 11.84 H new ATOM 0 HB ILE A 13 0.411 9.290 -3.687 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.533 7.631 -1.478 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.172 7.268 -2.521 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.892 9.600 -3.571 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.038 11.079 -3.074 1.00 17.08 H new ATOM 0 HG23 ILE A 13 2.753 10.009 -1.845 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.116 5.934 -3.121 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.692 7.041 -4.449 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.074 7.410 -3.390 1.00 16.46 H new ATOM 223 N THR A 14 -2.237 9.841 -2.289 1.00 9.39 N ATOM 224 CA THR A 14 -3.578 9.351 -2.194 1.00 9.63 C ATOM 225 C THR A 14 -3.756 8.543 -3.433 1.00 11.20 C ATOM 226 O THR A 14 -3.642 9.074 -4.537 1.00 11.63 O ATOM 227 CB THR A 14 -4.634 10.404 -2.036 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.308 11.176 -0.889 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.968 9.707 -1.722 1.00 11.66 C ATOM 0 H THR A 14 -2.112 10.636 -2.915 1.00 9.39 H new ATOM 0 HA THR A 14 -3.709 8.772 -1.280 1.00 9.63 H new ATOM 0 HB THR A 14 -4.700 11.013 -2.938 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.628 10.717 -0.084 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.751 10.456 -1.603 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.229 9.036 -2.540 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.871 9.134 -0.800 1.00 11.66 H new ATOM 237 N LEU A 15 -4.070 7.237 -3.363 1.00 8.29 N ATOM 238 CA LEU A 15 -4.256 6.401 -4.509 1.00 9.03 C ATOM 239 C LEU A 15 -5.629 5.824 -4.547 1.00 8.59 C ATOM 240 O LEU A 15 -6.376 5.868 -3.571 1.00 7.79 O ATOM 241 CB LEU A 15 -3.307 5.191 -4.509 1.00 11.08 C ATOM 242 CG LEU A 15 -1.833 5.593 -4.332 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.941 4.348 -4.194 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.351 6.496 -5.481 1.00 15.88 C ATOM 0 H LEU A 15 -4.199 6.746 -2.478 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.064 7.051 -5.363 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.593 4.510 -3.707 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.421 4.645 -5.446 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.755 6.171 -3.411 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.097 4.656 -4.070 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.255 3.770 -3.324 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.032 3.734 -5.090 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.305 6.760 -5.322 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.452 5.965 -6.428 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.954 7.403 -5.508 1.00 15.88 H new ATOM 256 N GLU A 16 -6.035 5.137 -5.629 1.00 11.04 N ATOM 257 CA GLU A 16 -7.287 4.479 -5.844 1.00 11.50 C ATOM 258 C GLU A 16 -7.169 3.016 -6.099 1.00 10.13 C ATOM 259 O GLU A 16 -6.434 2.612 -6.999 1.00 9.83 O ATOM 260 CB GLU A 16 -7.961 5.188 -7.031 1.00 17.22 C ATOM 261 CG GLU A 16 -8.069 6.710 -6.926 1.00 23.33 C ATOM 262 CD GLU A 16 -8.932 7.360 -7.999 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.635 7.243 -9.218 1.00 28.90 O ATOM 264 OE2 GLU A 16 -10.025 7.920 -7.720 1.00 28.86 O ATOM 0 H GLU A 16 -5.420 5.033 -6.436 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.881 4.549 -4.933 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.407 4.944 -7.937 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.964 4.779 -7.151 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.475 6.966 -5.947 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -7.067 7.136 -6.976 1.00 23.33 H new ATOM 271 N VAL A 17 -7.829 2.264 -5.200 1.00 8.99 N ATOM 272 CA VAL A 17 -7.827 0.834 -5.206 1.00 8.85 C ATOM 273 C VAL A 17 -9.200 0.332 -4.917 1.00 8.04 C ATOM 274 O VAL A 17 -10.062 1.131 -4.554 1.00 8.99 O ATOM 275 CB VAL A 17 -6.855 0.280 -4.207 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.387 0.698 -4.395 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.359 0.560 -2.781 1.00 10.54 C ATOM 0 H VAL A 17 -8.383 2.665 -4.443 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.513 0.498 -6.194 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.827 -0.794 -4.388 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.776 0.239 -3.618 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.037 0.368 -5.373 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.306 1.783 -4.327 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.650 0.156 -2.059 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.454 1.636 -2.633 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.331 0.087 -2.639 1.00 10.54 H new ATOM 287 N GLU A 18 -9.520 -0.960 -5.106 1.00 7.29 N ATOM 288 CA GLU A 18 -10.784 -1.555 -4.802 1.00 7.08 C ATOM 289 C GLU A 18 -10.551 -2.684 -3.858 1.00 6.45 C ATOM 290 O GLU A 18 -9.422 -3.164 -3.770 1.00 5.28 O ATOM 291 CB GLU A 18 -11.460 -2.103 -6.070 1.00 10.28 C ATOM 292 CG GLU A 18 -12.056 -0.922 -6.838 1.00 12.65 C ATOM 293 CD GLU A 18 -12.817 -1.378 -8.074 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.453 -2.400 -8.715 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.699 -0.615 -8.553 1.00 18.17 O ATOM 0 H GLU A 18 -8.856 -1.629 -5.495 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.435 -0.798 -4.365 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.736 -2.633 -6.689 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.239 -2.819 -5.807 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.726 -0.364 -6.184 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.258 -0.241 -7.133 1.00 12.65 H new ATOM 302 N PRO A 19 -11.417 -3.221 -3.050 1.00 7.24 N ATOM 303 CA PRO A 19 -11.071 -4.308 -2.181 1.00 7.07 C ATOM 304 C PRO A 19 -10.673 -5.605 -2.797 1.00 6.65 C ATOM 305 O PRO A 19 -10.004 -6.353 -2.085 1.00 6.37 O ATOM 306 CB PRO A 19 -12.240 -4.476 -1.214 1.00 7.61 C ATOM 307 CG PRO A 19 -12.952 -3.116 -1.276 1.00 8.16 C ATOM 308 CD PRO A 19 -12.707 -2.637 -2.716 1.00 7.49 C ATOM 0 HA PRO A 19 -10.137 -4.027 -1.694 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.899 -5.289 -1.518 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.897 -4.704 -0.205 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.017 -3.212 -1.062 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.542 -2.417 -0.547 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.490 -2.979 -3.392 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.684 -1.549 -2.779 1.00 7.49 H new ATOM 316 N SER A 20 -11.017 -5.860 -4.072 1.00 6.80 N ATOM 317 CA SER A 20 -10.647 -7.047 -4.780 1.00 6.28 C ATOM 318 C SER A 20 -9.301 -7.118 -5.414 1.00 8.45 C ATOM 319 O SER A 20 -8.952 -8.106 -6.058 1.00 7.26 O ATOM 320 CB SER A 20 -11.631 -7.277 -5.940 1.00 8.57 C ATOM 321 OG SER A 20 -12.093 -6.068 -6.525 1.00 11.13 O ATOM 0 H SER A 20 -11.574 -5.215 -4.632 1.00 6.80 H new ATOM 0 HA SER A 20 -10.653 -7.787 -3.979 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.146 -7.882 -6.706 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.485 -7.848 -5.576 1.00 8.57 H new ATOM 0 HG SER A 20 -12.712 -6.274 -7.256 1.00 11.13 H new ATOM 327 N ASP A 21 -8.518 -6.028 -5.311 1.00 7.50 N ATOM 328 CA ASP A 21 -7.159 -5.998 -5.755 1.00 7.70 C ATOM 329 C ASP A 21 -6.293 -6.665 -4.743 1.00 7.08 C ATOM 330 O ASP A 21 -6.635 -6.719 -3.563 1.00 8.11 O ATOM 331 CB ASP A 21 -6.733 -4.521 -5.799 1.00 11.00 C ATOM 332 CG ASP A 21 -7.494 -3.764 -6.878 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.877 -4.413 -7.888 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.556 -2.508 -6.805 1.00 14.36 O ATOM 0 H ASP A 21 -8.838 -5.147 -4.909 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.066 -6.493 -6.722 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.914 -4.058 -4.829 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.662 -4.454 -5.990 1.00 11.00 H new ATOM 339 N THR A 22 -5.231 -7.382 -5.152 1.00 5.37 N ATOM 340 CA THR A 22 -4.245 -7.731 -4.176 1.00 6.01 C ATOM 341 C THR A 22 -3.329 -6.623 -3.783 1.00 8.01 C ATOM 342 O THR A 22 -3.370 -5.519 -4.323 1.00 8.11 O ATOM 343 CB THR A 22 -3.539 -8.987 -4.592 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.593 -8.746 -5.623 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.555 -10.028 -5.093 1.00 9.65 C ATOM 0 H THR A 22 -5.058 -7.706 -6.104 1.00 5.37 H new ATOM 0 HA THR A 22 -4.775 -7.932 -3.245 1.00 6.01 H new ATOM 0 HB THR A 22 -3.012 -9.362 -3.714 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.152 -9.587 -5.866 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.029 -10.935 -5.392 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.259 -10.263 -4.295 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.098 -9.625 -5.948 1.00 9.65 H new ATOM 353 N ILE A 23 -2.468 -6.864 -2.778 1.00 8.32 N ATOM 354 CA ILE A 23 -1.468 -5.914 -2.400 1.00 9.92 C ATOM 355 C ILE A 23 -0.480 -5.661 -3.486 1.00 10.01 C ATOM 356 O ILE A 23 -0.063 -4.543 -3.787 1.00 8.71 O ATOM 357 CB ILE A 23 -0.873 -6.309 -1.081 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.997 -6.594 -0.071 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.194 -5.278 -0.677 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.805 -5.345 0.279 1.00 12.30 C ATOM 0 H ILE A 23 -2.465 -7.721 -2.225 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.932 -4.939 -2.253 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.327 -7.251 -1.132 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.665 -7.351 -0.481 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.565 -7.010 0.839 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.629 -5.561 0.281 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.976 -5.247 -1.436 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.266 -4.294 -0.590 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.584 -5.605 0.995 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.145 -4.596 0.716 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.262 -4.943 -0.625 1.00 12.30 H new ATOM 372 N GLU A 24 0.001 -6.699 -4.192 1.00 9.54 N ATOM 373 CA GLU A 24 0.877 -6.740 -5.322 1.00 11.81 C ATOM 374 C GLU A 24 0.475 -5.817 -6.419 1.00 11.14 C ATOM 375 O GLU A 24 1.223 -5.127 -7.111 1.00 10.62 O ATOM 376 CB GLU A 24 1.066 -8.177 -5.837 1.00 19.24 C ATOM 377 CG GLU A 24 1.891 -8.270 -7.122 1.00 27.76 C ATOM 378 CD GLU A 24 2.246 -9.716 -7.438 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.457 -10.417 -8.125 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.207 -10.206 -6.785 1.00 36.51 O ATOM 0 H GLU A 24 -0.268 -7.646 -3.926 1.00 9.54 H new ATOM 0 HA GLU A 24 1.841 -6.377 -4.965 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.551 -8.770 -5.061 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.086 -8.622 -6.012 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.329 -7.840 -7.951 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.803 -7.682 -7.016 1.00 27.76 H new ATOM 387 N ASN A 25 -0.851 -5.746 -6.634 1.00 9.43 N ATOM 388 CA ASN A 25 -1.453 -4.805 -7.527 1.00 10.96 C ATOM 389 C ASN A 25 -1.529 -3.405 -7.023 1.00 9.68 C ATOM 390 O ASN A 25 -1.601 -2.453 -7.799 1.00 9.33 O ATOM 391 CB ASN A 25 -2.763 -5.437 -8.028 1.00 16.78 C ATOM 392 CG ASN A 25 -3.550 -4.734 -9.124 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.265 -3.752 -8.929 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.330 -5.192 -10.386 1.00 24.70 N ATOM 0 H ASN A 25 -1.523 -6.360 -6.174 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.804 -4.631 -8.385 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.529 -6.441 -8.383 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.424 -5.549 -7.169 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.760 -4.720 -11.182 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.735 -6.007 -10.536 1.00 24.70 H new ATOM 401 N VAL A 26 -1.372 -3.191 -5.704 1.00 6.52 N ATOM 402 CA VAL A 26 -1.169 -1.869 -5.199 1.00 5.53 C ATOM 403 C VAL A 26 0.226 -1.366 -5.345 1.00 4.42 C ATOM 404 O VAL A 26 0.460 -0.244 -5.790 1.00 3.40 O ATOM 405 CB VAL A 26 -1.725 -1.775 -3.809 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.560 -0.378 -3.187 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.232 -2.075 -3.876 1.00 8.12 C ATOM 0 H VAL A 26 -1.385 -3.924 -4.995 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.729 -1.176 -5.827 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.177 -2.486 -3.191 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.982 -0.375 -2.182 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.501 -0.125 -3.137 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.080 0.357 -3.801 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.660 -2.013 -2.876 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.719 -1.348 -4.525 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.386 -3.078 -4.275 1.00 8.12 H new ATOM 417 N LYS A 27 1.191 -2.239 -5.006 1.00 2.64 N ATOM 418 CA LYS A 27 2.586 -1.967 -5.165 1.00 4.14 C ATOM 419 C LYS A 27 3.017 -1.504 -6.514 1.00 5.58 C ATOM 420 O LYS A 27 3.976 -0.736 -6.573 1.00 4.11 O ATOM 421 CB LYS A 27 3.440 -3.216 -4.890 1.00 3.97 C ATOM 422 CG LYS A 27 3.423 -3.664 -3.427 1.00 7.45 C ATOM 423 CD LYS A 27 4.124 -4.992 -3.131 1.00 9.02 C ATOM 424 CE LYS A 27 4.345 -5.260 -1.641 1.00 12.90 C ATOM 425 NZ LYS A 27 4.605 -6.681 -1.322 1.00 15.47 N ATOM 0 H LYS A 27 0.996 -3.159 -4.611 1.00 2.64 H new ATOM 0 HA LYS A 27 2.739 -1.161 -4.448 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.083 -4.034 -5.515 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.469 -3.014 -5.187 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.889 -2.886 -2.823 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.385 -3.742 -3.102 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.533 -5.805 -3.552 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.088 -5.003 -3.639 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.186 -4.660 -1.294 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.467 -4.928 -1.087 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.108 -6.936 -0.445 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.263 -7.280 -2.101 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.627 -6.827 -1.196 1.00 15.47 H new ATOM 439 N ALA A 28 2.255 -1.797 -7.583 1.00 6.61 N ATOM 440 CA ALA A 28 2.674 -1.473 -8.911 1.00 7.74 C ATOM 441 C ALA A 28 2.248 -0.082 -9.230 1.00 9.17 C ATOM 442 O ALA A 28 2.839 0.556 -10.099 1.00 11.45 O ATOM 443 CB ALA A 28 2.054 -2.486 -9.889 1.00 7.68 C ATOM 0 H ALA A 28 1.347 -2.259 -7.527 1.00 6.61 H new ATOM 0 HA ALA A 28 3.759 -1.527 -8.998 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.367 -2.249 -10.906 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.388 -3.491 -9.632 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.967 -2.437 -9.823 1.00 7.68 H new ATOM 449 N LYS A 29 1.166 0.425 -8.612 1.00 8.96 N ATOM 450 CA LYS A 29 0.714 1.780 -8.562 1.00 7.90 C ATOM 451 C LYS A 29 1.610 2.675 -7.776 1.00 6.92 C ATOM 452 O LYS A 29 1.716 3.875 -8.025 1.00 6.87 O ATOM 453 CB LYS A 29 -0.654 1.886 -7.867 1.00 10.28 C ATOM 454 CG LYS A 29 -1.807 1.305 -8.688 1.00 14.94 C ATOM 455 CD LYS A 29 -3.143 1.289 -7.942 1.00 19.69 C ATOM 456 CE LYS A 29 -4.080 0.655 -8.972 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.415 0.588 -8.337 1.00 24.98 N ATOM 0 H LYS A 29 0.540 -0.188 -8.089 1.00 8.96 H new ATOM 0 HA LYS A 29 0.683 2.088 -9.607 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.606 1.369 -6.908 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.863 2.934 -7.654 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.919 1.886 -9.604 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.554 0.287 -8.985 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.090 0.703 -7.024 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.465 2.292 -7.662 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.113 1.250 -9.885 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.733 -0.340 -9.252 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.149 0.576 -9.073 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.484 -0.278 -7.765 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.551 1.419 -7.726 1.00 24.98 H new ATOM 471 N ILE A 30 2.366 2.130 -6.806 1.00 4.57 N ATOM 472 CA ILE A 30 3.320 2.918 -6.089 1.00 5.58 C ATOM 473 C ILE A 30 4.648 2.906 -6.765 1.00 7.26 C ATOM 474 O ILE A 30 5.402 3.875 -6.821 1.00 9.46 O ATOM 475 CB ILE A 30 3.621 2.441 -4.700 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.319 2.126 -3.944 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.346 3.531 -3.893 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.460 1.153 -2.774 1.00 2.00 C ATOM 0 H ILE A 30 2.318 1.152 -6.520 1.00 4.57 H new ATOM 0 HA ILE A 30 2.845 3.899 -6.057 1.00 5.58 H new ATOM 0 HB ILE A 30 4.244 1.552 -4.797 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.901 3.060 -3.569 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.598 1.715 -4.651 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.554 3.162 -2.889 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.283 3.787 -4.387 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.715 4.418 -3.831 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.486 0.999 -2.310 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.844 0.200 -3.138 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.151 1.566 -2.039 1.00 2.00 H new ATOM 490 N GLN A 31 5.042 1.818 -7.451 1.00 7.06 N ATOM 491 CA GLN A 31 6.160 1.715 -8.337 1.00 8.67 C ATOM 492 C GLN A 31 6.139 2.687 -9.467 1.00 10.90 C ATOM 493 O GLN A 31 7.161 3.295 -9.780 1.00 9.63 O ATOM 494 CB GLN A 31 6.145 0.295 -8.926 1.00 9.12 C ATOM 495 CG GLN A 31 7.479 0.031 -9.629 1.00 10.76 C ATOM 496 CD GLN A 31 7.754 -1.190 -10.496 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.813 -1.945 -10.736 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.993 -1.339 -11.036 1.00 14.76 N ATOM 0 H GLN A 31 4.534 0.937 -7.378 1.00 7.06 H new ATOM 0 HA GLN A 31 7.056 1.937 -7.757 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.985 -0.438 -8.136 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.321 0.189 -9.631 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.670 0.901 -10.258 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.240 0.029 -8.849 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.735 -0.680 -10.799 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.180 -2.109 -11.678 1.00 14.76 H new ATOM 507 N ASP A 32 4.943 2.962 -10.018 1.00 10.93 N ATOM 508 CA ASP A 32 4.837 4.065 -10.921 1.00 14.01 C ATOM 509 C ASP A 32 5.104 5.369 -10.251 1.00 14.04 C ATOM 510 O ASP A 32 5.962 6.082 -10.769 1.00 13.39 O ATOM 511 CB ASP A 32 3.433 3.981 -11.542 1.00 18.01 C ATOM 512 CG ASP A 32 3.414 2.981 -12.689 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.480 2.341 -12.893 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.408 2.724 -13.402 1.00 25.17 O ATOM 0 H ASP A 32 4.081 2.444 -9.848 1.00 10.93 H new ATOM 0 HA ASP A 32 5.597 4.009 -11.701 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.710 3.684 -10.782 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.130 4.964 -11.904 1.00 18.01 H new ATOM 519 N LYS A 33 4.367 5.686 -9.172 1.00 14.22 N ATOM 520 CA LYS A 33 4.208 7.005 -8.643 1.00 14.00 C ATOM 521 C LYS A 33 5.383 7.513 -7.880 1.00 12.37 C ATOM 522 O LYS A 33 5.870 8.578 -8.256 1.00 12.17 O ATOM 523 CB LYS A 33 3.047 6.977 -7.635 1.00 18.62 C ATOM 524 CG LYS A 33 2.277 8.239 -7.243 1.00 24.00 C ATOM 525 CD LYS A 33 1.620 9.025 -8.380 1.00 27.61 C ATOM 526 CE LYS A 33 0.401 8.348 -9.010 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.049 9.093 -10.207 1.00 30.06 N ATOM 0 H LYS A 33 3.854 4.983 -8.640 1.00 14.22 H new ATOM 0 HA LYS A 33 4.052 7.653 -9.505 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.313 6.270 -8.022 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.443 6.553 -6.713 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.501 7.957 -6.532 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.962 8.906 -6.719 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.320 10.002 -8.001 1.00 27.61 H new ATOM 0 HD3 LYS A 33 2.363 9.200 -9.158 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.650 7.323 -9.285 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.409 8.295 -8.282 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.877 8.618 -10.620 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.306 10.063 -9.936 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.719 9.121 -10.907 1.00 30.06 H new ATOM 541 N GLU A 34 5.909 6.763 -6.895 1.00 10.11 N ATOM 542 CA GLU A 34 7.040 7.170 -6.120 1.00 10.07 C ATOM 543 C GLU A 34 8.373 6.687 -6.578 1.00 9.32 C ATOM 544 O GLU A 34 9.417 7.337 -6.577 1.00 11.61 O ATOM 545 CB GLU A 34 6.841 6.823 -4.635 1.00 14.77 C ATOM 546 CG GLU A 34 5.962 7.847 -3.914 1.00 18.75 C ATOM 547 CD GLU A 34 6.734 9.151 -3.772 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.939 9.067 -3.413 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.209 10.269 -4.022 1.00 25.19 O ATOM 0 H GLU A 34 5.538 5.850 -6.631 1.00 10.11 H new ATOM 0 HA GLU A 34 7.073 8.249 -6.270 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.387 5.835 -4.552 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.812 6.770 -4.143 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.042 8.014 -4.474 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.674 7.471 -2.932 1.00 18.75 H new ATOM 556 N GLY A 35 8.295 5.392 -6.931 1.00 7.22 N ATOM 557 CA GLY A 35 9.267 4.746 -7.757 1.00 6.29 C ATOM 558 C GLY A 35 10.097 3.746 -7.029 1.00 6.93 C ATOM 559 O GLY A 35 11.277 3.680 -7.369 1.00 7.41 O ATOM 0 H GLY A 35 7.536 4.778 -6.635 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.758 4.251 -8.584 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.921 5.501 -8.192 1.00 6.29 H new ATOM 563 N ILE A 36 9.558 3.038 -6.021 1.00 5.86 N ATOM 564 CA ILE A 36 10.316 2.080 -5.277 1.00 6.07 C ATOM 565 C ILE A 36 10.176 0.739 -5.910 1.00 6.36 C ATOM 566 O ILE A 36 9.027 0.441 -6.230 1.00 6.18 O ATOM 567 CB ILE A 36 9.759 2.031 -3.885 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.888 3.375 -3.149 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.520 0.948 -3.101 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.035 3.413 -1.882 1.00 9.49 C ATOM 0 H ILE A 36 8.588 3.130 -5.719 1.00 5.86 H new ATOM 0 HA ILE A 36 11.370 2.359 -5.259 1.00 6.07 H new ATOM 0 HB ILE A 36 8.695 1.804 -3.953 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.932 3.548 -2.889 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.587 4.184 -3.814 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.131 0.894 -2.084 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.388 -0.017 -3.591 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.581 1.198 -3.071 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.154 4.379 -1.392 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.987 3.266 -2.144 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.354 2.621 -1.205 1.00 9.49 H new ATOM 582 N PRO A 37 11.164 -0.091 -6.070 1.00 8.65 N ATOM 583 CA PRO A 37 11.050 -1.394 -6.657 1.00 9.18 C ATOM 584 C PRO A 37 10.155 -2.322 -5.909 1.00 9.85 C ATOM 585 O PRO A 37 10.222 -2.273 -4.682 1.00 8.51 O ATOM 586 CB PRO A 37 12.505 -1.856 -6.670 1.00 11.42 C ATOM 587 CG PRO A 37 13.265 -0.594 -7.107 1.00 9.27 C ATOM 588 CD PRO A 37 12.521 0.413 -6.216 1.00 8.33 C ATOM 0 HA PRO A 37 10.579 -1.376 -7.640 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.827 -2.201 -5.688 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.660 -2.681 -7.365 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.333 -0.644 -6.895 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.161 -0.380 -8.171 1.00 9.27 H new ATOM 0 HD2 PRO A 37 13.007 0.506 -5.245 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.520 1.405 -6.668 1.00 8.33 H new ATOM 596 N PRO A 38 9.278 -3.140 -6.410 1.00 8.71 N ATOM 597 CA PRO A 38 8.308 -3.809 -5.592 1.00 9.08 C ATOM 598 C PRO A 38 8.795 -4.784 -4.575 1.00 9.28 C ATOM 599 O PRO A 38 8.082 -5.005 -3.597 1.00 6.50 O ATOM 600 CB PRO A 38 7.324 -4.461 -6.561 1.00 10.31 C ATOM 601 CG PRO A 38 7.437 -3.632 -7.850 1.00 10.81 C ATOM 602 CD PRO A 38 8.938 -3.306 -7.815 1.00 12.00 C ATOM 0 HA PRO A 38 7.865 -3.050 -4.947 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.577 -5.506 -6.739 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.308 -4.442 -6.166 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.152 -4.197 -8.737 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.814 -2.738 -7.828 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.522 -4.108 -8.266 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.154 -2.398 -8.379 1.00 12.00 H new ATOM 610 N ASP A 39 9.971 -5.388 -4.817 1.00 11.20 N ATOM 611 CA ASP A 39 10.716 -6.222 -3.925 1.00 14.96 C ATOM 612 C ASP A 39 11.178 -5.513 -2.699 1.00 13.99 C ATOM 613 O ASP A 39 11.241 -6.033 -1.586 1.00 13.75 O ATOM 614 CB ASP A 39 11.901 -6.713 -4.774 1.00 24.16 C ATOM 615 CG ASP A 39 12.610 -5.695 -5.657 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.019 -5.337 -6.710 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.688 -5.246 -5.183 1.00 34.22 O ATOM 0 H ASP A 39 10.441 -5.283 -5.716 1.00 11.20 H new ATOM 0 HA ASP A 39 10.101 -7.035 -3.538 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.641 -7.144 -4.099 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.544 -7.520 -5.413 1.00 24.16 H new ATOM 622 N GLN A 40 11.436 -4.206 -2.884 1.00 11.60 N ATOM 623 CA GLN A 40 11.893 -3.267 -1.906 1.00 10.76 C ATOM 624 C GLN A 40 10.781 -2.644 -1.134 1.00 8.01 C ATOM 625 O GLN A 40 10.990 -2.117 -0.043 1.00 8.96 O ATOM 626 CB GLN A 40 12.728 -2.212 -2.651 1.00 11.14 C ATOM 627 CG GLN A 40 13.647 -1.351 -1.783 1.00 14.85 C ATOM 628 CD GLN A 40 14.317 -0.275 -2.626 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.992 0.911 -2.601 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.342 -0.676 -3.425 1.00 18.16 N ATOM 0 H GLN A 40 11.314 -3.770 -3.798 1.00 11.60 H new ATOM 0 HA GLN A 40 12.495 -3.783 -1.158 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.338 -2.721 -3.398 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.048 -1.553 -3.190 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.072 -0.888 -0.981 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.405 -1.977 -1.312 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.615 -1.658 -3.449 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.837 0.006 -4.000 1.00 18.16 H new ATOM 639 N GLN A 41 9.552 -2.550 -1.671 1.00 6.52 N ATOM 640 CA GLN A 41 8.417 -2.001 -0.996 1.00 3.87 C ATOM 641 C GLN A 41 7.892 -2.914 0.058 1.00 4.79 C ATOM 642 O GLN A 41 7.462 -4.000 -0.329 1.00 6.34 O ATOM 643 CB GLN A 41 7.274 -1.752 -1.995 1.00 4.20 C ATOM 644 CG GLN A 41 7.524 -0.725 -3.100 1.00 3.20 C ATOM 645 CD GLN A 41 6.325 -0.532 -4.017 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.236 -0.267 -3.511 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.487 -0.800 -5.341 1.00 7.13 N ATOM 0 H GLN A 41 9.340 -2.870 -2.616 1.00 6.52 H new ATOM 0 HA GLN A 41 8.753 -1.072 -0.535 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.025 -2.702 -2.467 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.396 -1.436 -1.432 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.785 0.231 -2.647 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.381 -1.041 -3.694 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.414 -1.014 -5.708 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.681 -0.787 -5.966 1.00 7.13 H new ATOM 656 N ARG A 42 7.884 -2.532 1.347 1.00 5.73 N ATOM 657 CA ARG A 42 7.161 -3.202 2.383 1.00 6.97 C ATOM 658 C ARG A 42 6.014 -2.382 2.865 1.00 7.15 C ATOM 659 O ARG A 42 6.213 -1.355 3.512 1.00 7.33 O ATOM 660 CB ARG A 42 8.134 -3.698 3.466 1.00 13.23 C ATOM 661 CG ARG A 42 7.553 -3.988 4.851 1.00 21.27 C ATOM 662 CD ARG A 42 8.534 -4.527 5.894 1.00 26.14 C ATOM 663 NE ARG A 42 9.086 -5.842 5.462 1.00 32.26 N ATOM 664 CZ ARG A 42 10.332 -6.237 5.857 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.211 -5.412 6.497 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.644 -7.556 5.696 1.00 36.39 N ATOM 0 H ARG A 42 8.404 -1.721 1.682 1.00 5.73 H new ATOM 0 HA ARG A 42 6.685 -4.101 1.992 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.608 -4.609 3.102 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.921 -2.952 3.580 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.112 -3.069 5.237 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.742 -4.708 4.739 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.347 -3.815 6.039 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.030 -4.636 6.854 1.00 26.14 H new ATOM 0 HE ARG A 42 8.528 -6.453 4.866 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.949 -4.448 6.702 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.130 -5.760 6.770 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.959 -8.197 5.296 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.562 -7.901 5.976 1.00 36.39 H new ATOM 680 N LEU A 43 4.761 -2.854 2.735 1.00 4.65 N ATOM 681 CA LEU A 43 3.645 -2.099 3.214 1.00 3.51 C ATOM 682 C LEU A 43 3.314 -2.694 4.539 1.00 5.56 C ATOM 683 O LEU A 43 3.005 -3.876 4.677 1.00 4.19 O ATOM 684 CB LEU A 43 2.496 -2.062 2.192 1.00 3.74 C ATOM 685 CG LEU A 43 2.689 -1.265 0.891 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.765 -1.743 -0.242 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.360 0.235 0.961 1.00 9.55 C ATOM 0 H LEU A 43 4.522 -3.747 2.304 1.00 4.65 H new ATOM 0 HA LEU A 43 3.866 -1.040 3.343 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.265 -3.091 1.918 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.617 -1.662 2.697 1.00 3.74 H new ATOM 0 HG LEU A 43 3.752 -1.431 0.716 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.945 -1.145 -1.135 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.969 -2.791 -0.460 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.725 -1.632 0.065 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.534 0.691 -0.013 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.315 0.366 1.242 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.998 0.713 1.704 1.00 9.55 H new ATOM 699 N ILE A 44 3.306 -1.801 5.545 1.00 4.58 N ATOM 700 CA ILE A 44 2.894 -2.039 6.894 1.00 5.55 C ATOM 701 C ILE A 44 1.560 -1.429 7.158 1.00 5.46 C ATOM 702 O ILE A 44 1.323 -0.255 6.879 1.00 6.04 O ATOM 703 CB ILE A 44 3.917 -1.475 7.836 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.323 -2.060 7.622 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.471 -1.676 9.294 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.474 -3.573 7.766 1.00 13.90 C ATOM 0 H ILE A 44 3.612 -0.838 5.403 1.00 4.58 H new ATOM 0 HA ILE A 44 2.810 -3.114 7.050 1.00 5.55 H new ATOM 0 HB ILE A 44 3.986 -0.409 7.618 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.658 -1.780 6.623 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.000 -1.583 8.331 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.223 -1.262 9.965 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.520 -1.168 9.457 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.353 -2.741 9.495 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.513 -3.853 7.590 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.182 -3.874 8.772 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.835 -4.073 7.038 1.00 13.90 H new ATOM 718 N PHE A 45 0.643 -2.340 7.528 1.00 6.75 N ATOM 719 CA PHE A 45 -0.631 -1.990 8.076 1.00 4.70 C ATOM 720 C PHE A 45 -0.574 -2.413 9.503 1.00 6.34 C ATOM 721 O PHE A 45 -0.474 -3.573 9.898 1.00 5.45 O ATOM 722 CB PHE A 45 -1.751 -2.716 7.312 1.00 5.51 C ATOM 723 CG PHE A 45 -3.169 -2.293 7.489 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.566 -0.978 7.545 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.094 -3.309 7.525 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.899 -0.664 7.669 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.434 -3.000 7.556 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.815 -1.680 7.526 1.00 6.84 C ATOM 0 H PHE A 45 0.791 -3.346 7.444 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.845 -0.924 7.993 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.520 -2.640 6.249 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.692 -3.772 7.576 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.829 -0.190 7.491 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.772 -4.340 7.529 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.217 0.348 7.872 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.176 -3.783 7.603 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.858 -1.435 7.387 1.00 6.84 H new ATOM 738 N ALA A 46 -0.563 -1.388 10.374 1.00 6.53 N ATOM 739 CA ALA A 46 -0.272 -1.446 11.773 1.00 7.15 C ATOM 740 C ALA A 46 1.037 -2.052 12.148 1.00 9.00 C ATOM 741 O ALA A 46 2.054 -1.364 12.215 1.00 11.15 O ATOM 742 CB ALA A 46 -1.512 -1.899 12.562 1.00 8.99 C ATOM 0 H ALA A 46 -0.776 -0.438 10.071 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.069 -0.427 12.103 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.273 -1.938 13.625 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.325 -1.192 12.399 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.818 -2.889 12.223 1.00 8.99 H new ATOM 748 N GLY A 47 1.011 -3.367 12.432 1.00 9.35 N ATOM 749 CA GLY A 47 2.152 -4.113 12.865 1.00 11.68 C ATOM 750 C GLY A 47 2.721 -5.079 11.884 1.00 11.14 C ATOM 751 O GLY A 47 3.808 -5.628 12.058 1.00 13.93 O ATOM 0 H GLY A 47 0.164 -3.931 12.357 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.935 -3.408 13.145 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.880 -4.662 13.767 1.00 11.68 H new ATOM 755 N LYS A 48 1.811 -5.462 10.970 1.00 10.47 N ATOM 756 CA LYS A 48 2.107 -6.499 10.031 1.00 8.82 C ATOM 757 C LYS A 48 2.394 -6.016 8.651 1.00 7.68 C ATOM 758 O LYS A 48 2.004 -4.920 8.253 1.00 6.47 O ATOM 759 CB LYS A 48 0.858 -7.394 9.961 1.00 9.74 C ATOM 760 CG LYS A 48 0.616 -8.062 11.317 1.00 14.14 C ATOM 761 CD LYS A 48 -0.553 -9.046 11.388 1.00 16.32 C ATOM 762 CE LYS A 48 -1.055 -9.425 12.783 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.260 -10.272 12.640 1.00 23.92 N ATOM 0 H LYS A 48 0.879 -5.058 10.881 1.00 10.47 H new ATOM 0 HA LYS A 48 3.007 -7.008 10.374 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.011 -6.799 9.679 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.988 -8.154 9.190 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.525 -8.589 11.606 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.451 -7.281 12.059 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.388 -8.622 10.831 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.258 -9.961 10.873 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.280 -9.960 13.331 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.289 -8.528 13.357 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.612 -10.537 13.582 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.997 -9.744 12.131 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.019 -11.131 12.106 1.00 23.92 H new ATOM 777 N GLN A 49 2.918 -6.975 7.868 1.00 8.89 N ATOM 778 CA GLN A 49 3.228 -6.815 6.481 1.00 7.18 C ATOM 779 C GLN A 49 2.054 -7.249 5.672 1.00 8.23 C ATOM 780 O GLN A 49 1.335 -8.207 5.952 1.00 9.70 O ATOM 781 CB GLN A 49 4.411 -7.750 6.178 1.00 11.67 C ATOM 782 CG GLN A 49 4.970 -7.513 4.773 1.00 15.82 C ATOM 783 CD GLN A 49 6.194 -8.342 4.408 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.266 -7.748 4.312 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.144 -9.671 4.124 1.00 20.67 N ATOM 0 H GLN A 49 3.136 -7.907 8.219 1.00 8.89 H new ATOM 0 HA GLN A 49 3.469 -5.779 6.245 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.198 -7.592 6.915 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.089 -8.787 6.272 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.183 -7.720 4.048 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.225 -6.458 4.675 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.261 -10.176 4.200 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.990 -10.163 3.835 1.00 20.67 H new ATOM 794 N LEU A 50 1.872 -6.620 4.497 1.00 6.51 N ATOM 795 CA LEU A 50 0.811 -6.995 3.614 1.00 7.41 C ATOM 796 C LEU A 50 1.311 -7.819 2.478 1.00 8.27 C ATOM 797 O LEU A 50 2.200 -7.375 1.753 1.00 8.34 O ATOM 798 CB LEU A 50 0.164 -5.690 3.119 1.00 7.13 C ATOM 799 CG LEU A 50 -0.421 -4.771 4.204 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.813 -3.503 3.426 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.597 -5.397 4.971 1.00 8.14 C ATOM 0 H LEU A 50 2.456 -5.855 4.159 1.00 6.51 H new ATOM 0 HA LEU A 50 0.080 -7.615 4.133 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.911 -5.127 2.559 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.632 -5.946 2.420 1.00 7.13 H new ATOM 0 HG LEU A 50 0.294 -4.569 5.001 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.245 -2.774 4.112 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.073 -3.077 2.955 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.545 -3.758 2.659 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.959 -4.693 5.720 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.402 -5.632 4.275 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.265 -6.311 5.463 1.00 8.14 H new ATOM 813 N GLU A 51 0.824 -9.055 2.271 1.00 9.43 N ATOM 814 CA GLU A 51 1.436 -10.003 1.393 1.00 11.90 C ATOM 815 C GLU A 51 0.744 -10.169 0.084 1.00 11.49 C ATOM 816 O GLU A 51 -0.459 -9.930 -0.005 1.00 9.88 O ATOM 817 CB GLU A 51 1.787 -11.375 1.995 1.00 16.56 C ATOM 818 CG GLU A 51 2.650 -11.087 3.225 1.00 26.06 C ATOM 819 CD GLU A 51 3.082 -12.378 3.905 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.993 -13.111 3.435 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.465 -12.728 4.947 1.00 32.13 O ATOM 0 H GLU A 51 -0.019 -9.405 2.727 1.00 9.43 H new ATOM 0 HA GLU A 51 2.393 -9.514 1.211 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.886 -11.923 2.270 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.327 -11.991 1.275 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.530 -10.516 2.930 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.091 -10.471 3.929 1.00 26.06 H new ATOM 828 N ASP A 52 1.604 -10.291 -0.942 1.00 12.71 N ATOM 829 CA ASP A 52 1.370 -10.110 -2.341 1.00 16.56 C ATOM 830 C ASP A 52 0.040 -10.367 -2.960 1.00 15.83 C ATOM 831 O ASP A 52 -0.688 -9.487 -3.418 1.00 17.21 O ATOM 832 CB ASP A 52 2.453 -10.923 -3.071 1.00 21.05 C ATOM 833 CG ASP A 52 3.771 -10.269 -2.679 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.905 -9.082 -3.078 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.706 -10.827 -2.045 1.00 28.37 O ATOM 0 H ASP A 52 2.576 -10.546 -0.767 1.00 12.71 H new ATOM 0 HA ASP A 52 1.403 -9.027 -2.456 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.428 -11.971 -2.772 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.305 -10.896 -4.151 1.00 21.05 H new ATOM 840 N GLY A 53 -0.370 -11.648 -2.979 1.00 15.00 N ATOM 841 CA GLY A 53 -1.580 -12.061 -3.619 1.00 11.77 C ATOM 842 C GLY A 53 -2.730 -12.340 -2.714 1.00 11.10 C ATOM 843 O GLY A 53 -3.581 -13.147 -3.086 1.00 11.25 O ATOM 0 H GLY A 53 0.148 -12.410 -2.542 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.878 -11.286 -4.326 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.373 -12.960 -4.200 1.00 11.77 H new ATOM 847 N ARG A 54 -2.653 -11.682 -1.544 1.00 8.53 N ATOM 848 CA ARG A 54 -3.783 -11.586 -0.672 1.00 9.05 C ATOM 849 C ARG A 54 -4.445 -10.262 -0.841 1.00 8.96 C ATOM 850 O ARG A 54 -3.724 -9.296 -1.089 1.00 11.60 O ATOM 851 CB ARG A 54 -3.472 -11.668 0.832 1.00 7.97 C ATOM 852 CG ARG A 54 -2.920 -12.973 1.409 1.00 9.62 C ATOM 853 CD ARG A 54 -2.558 -12.969 2.895 1.00 12.20 C ATOM 854 NE ARG A 54 -3.769 -12.587 3.674 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.755 -12.786 5.024 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.697 -13.212 5.773 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.910 -12.694 5.746 1.00 25.50 N ATOM 0 H ARG A 54 -1.812 -11.218 -1.202 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.394 -12.443 -0.956 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.757 -10.879 1.063 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.390 -11.434 1.370 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.657 -13.758 1.241 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.029 -13.245 0.843 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.205 -13.954 3.202 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -1.747 -12.266 3.086 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.586 -12.188 3.211 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -1.804 -13.416 5.325 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.799 -13.327 6.781 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.789 -12.476 5.277 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.894 -12.844 6.755 1.00 25.50 H new ATOM 871 N THR A 55 -5.780 -10.199 -0.694 1.00 9.05 N ATOM 872 CA THR A 55 -6.624 -9.138 -1.150 1.00 9.03 C ATOM 873 C THR A 55 -6.684 -8.053 -0.131 1.00 8.15 C ATOM 874 O THR A 55 -6.292 -8.275 1.013 1.00 5.91 O ATOM 875 CB THR A 55 -7.985 -9.601 -1.579 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.547 -10.384 -0.536 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.973 -10.454 -2.859 1.00 11.71 C ATOM 0 H THR A 55 -6.304 -10.938 -0.226 1.00 9.05 H new ATOM 0 HA THR A 55 -6.173 -8.731 -2.055 1.00 9.03 H new ATOM 0 HB THR A 55 -8.569 -8.705 -1.791 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.438 -10.692 -0.802 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.992 -10.752 -3.107 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.555 -9.872 -3.680 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.364 -11.343 -2.698 1.00 11.71 H new ATOM 885 N LEU A 56 -7.214 -6.871 -0.494 1.00 6.91 N ATOM 886 CA LEU A 56 -7.349 -5.835 0.482 1.00 8.29 C ATOM 887 C LEU A 56 -8.587 -6.125 1.258 1.00 8.05 C ATOM 888 O LEU A 56 -8.836 -5.542 2.311 1.00 10.17 O ATOM 889 CB LEU A 56 -7.586 -4.440 -0.122 1.00 6.60 C ATOM 890 CG LEU A 56 -6.380 -3.627 -0.621 1.00 7.73 C ATOM 891 CD1 LEU A 56 -5.777 -4.323 -1.854 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.810 -2.182 -0.923 1.00 9.85 C ATOM 0 H LEU A 56 -7.540 -6.637 -1.432 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.424 -5.822 1.058 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.273 -4.557 -0.960 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.099 -3.839 0.629 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.611 -3.580 0.150 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -4.921 -3.751 -2.212 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -5.454 -5.328 -1.583 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.528 -4.384 -2.641 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.950 -1.613 -1.276 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.583 -2.185 -1.691 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -7.202 -1.722 -0.016 1.00 9.85 H new ATOM 904 N SER A 57 -9.385 -7.068 0.726 1.00 8.92 N ATOM 905 CA SER A 57 -10.580 -7.571 1.329 1.00 9.00 C ATOM 906 C SER A 57 -10.269 -8.367 2.550 1.00 9.44 C ATOM 907 O SER A 57 -10.710 -8.081 3.662 1.00 10.91 O ATOM 908 CB SER A 57 -11.464 -8.396 0.378 1.00 10.32 C ATOM 909 OG SER A 57 -12.775 -8.497 0.914 1.00 13.59 O ATOM 0 H SER A 57 -9.185 -7.503 -0.175 1.00 8.92 H new ATOM 0 HA SER A 57 -11.158 -6.687 1.600 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.497 -7.925 -0.604 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.039 -9.390 0.241 1.00 10.32 H new ATOM 0 HG SER A 57 -13.337 -9.021 0.306 1.00 13.59 H new ATOM 915 N ASP A 58 -9.337 -9.325 2.393 1.00 9.11 N ATOM 916 CA ASP A 58 -8.759 -10.208 3.358 1.00 7.91 C ATOM 917 C ASP A 58 -8.159 -9.394 4.453 1.00 9.12 C ATOM 918 O ASP A 58 -8.456 -9.569 5.633 1.00 8.61 O ATOM 919 CB ASP A 58 -7.772 -11.166 2.671 1.00 8.41 C ATOM 920 CG ASP A 58 -7.069 -12.363 3.296 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.349 -12.657 4.489 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.240 -12.982 2.576 1.00 10.05 O ATOM 0 H ASP A 58 -8.942 -9.498 1.469 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.515 -10.846 3.815 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.308 -11.563 1.809 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.974 -10.531 2.286 1.00 8.41 H new ATOM 927 N TYR A 59 -7.357 -8.393 4.046 1.00 7.97 N ATOM 928 CA TYR A 59 -6.682 -7.531 4.965 1.00 8.45 C ATOM 929 C TYR A 59 -7.558 -6.571 5.693 1.00 10.98 C ATOM 930 O TYR A 59 -7.243 -6.058 6.766 1.00 12.95 O ATOM 931 CB TYR A 59 -5.494 -6.899 4.219 1.00 7.94 C ATOM 932 CG TYR A 59 -4.316 -7.811 4.192 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.889 -8.418 5.350 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.558 -7.948 3.053 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.778 -9.229 5.345 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.470 -8.789 3.047 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.071 -9.448 4.186 1.00 6.76 C ATOM 938 OH TYR A 59 -0.868 -10.170 4.334 1.00 7.63 O ATOM 0 H TYR A 59 -7.175 -8.180 3.065 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.305 -8.122 5.800 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.791 -6.657 3.199 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.218 -5.961 4.701 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.430 -8.257 6.271 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.817 -7.395 2.162 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.457 -9.700 6.263 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.918 -8.935 2.130 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.948 -10.787 5.091 1.00 7.63 H new ATOM 948 N ASN A 60 -8.763 -6.299 5.162 1.00 12.38 N ATOM 949 CA ASN A 60 -9.688 -5.304 5.608 1.00 13.94 C ATOM 950 C ASN A 60 -8.997 -3.990 5.735 1.00 14.16 C ATOM 951 O ASN A 60 -8.759 -3.466 6.822 1.00 14.26 O ATOM 952 CB ASN A 60 -10.617 -5.712 6.765 1.00 19.23 C ATOM 953 CG ASN A 60 -11.840 -4.811 6.862 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.650 -4.619 5.957 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.104 -4.247 8.071 1.00 24.09 N ATOM 0 H ASN A 60 -9.117 -6.816 4.357 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.441 -5.187 4.828 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.938 -6.744 6.625 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.064 -5.675 7.704 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.948 -3.689 8.200 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.458 -4.382 8.849 1.00 24.09 H new ATOM 962 N ILE A 61 -8.626 -3.460 4.555 1.00 11.08 N ATOM 963 CA ILE A 61 -8.179 -2.128 4.289 1.00 11.78 C ATOM 964 C ILE A 61 -9.450 -1.486 3.849 1.00 13.74 C ATOM 965 O ILE A 61 -10.233 -2.009 3.058 1.00 14.60 O ATOM 966 CB ILE A 61 -7.095 -2.229 3.258 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.862 -2.889 3.897 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.736 -0.783 2.876 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.683 -3.255 2.996 1.00 11.42 C ATOM 0 H ILE A 61 -8.642 -4.023 3.705 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.730 -1.551 5.098 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.411 -2.814 2.394 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.491 -2.219 4.672 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.194 -3.800 4.395 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.947 -0.791 2.124 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.617 -0.284 2.473 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.389 -0.248 3.760 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.895 -3.710 3.595 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.013 -3.961 2.234 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.299 -2.355 2.515 1.00 11.42 H new ATOM 981 N GLN A 62 -9.697 -0.245 4.307 1.00 13.97 N ATOM 982 CA GLN A 62 -10.891 0.500 4.054 1.00 15.52 C ATOM 983 C GLN A 62 -10.578 1.813 3.425 1.00 13.94 C ATOM 984 O GLN A 62 -9.420 2.060 3.091 1.00 12.15 O ATOM 985 CB GLN A 62 -11.677 0.795 5.343 1.00 19.53 C ATOM 986 CG GLN A 62 -12.285 -0.492 5.904 1.00 26.38 C ATOM 987 CD GLN A 62 -13.103 -0.248 7.164 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.236 0.230 7.122 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.437 -0.533 8.315 1.00 32.71 N ATOM 0 H GLN A 62 -9.028 0.265 4.884 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.491 -0.121 3.388 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.017 1.246 6.084 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.466 1.518 5.138 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.919 -0.951 5.146 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.487 -1.201 6.124 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.498 -0.929 8.276 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.877 -0.351 9.217 1.00 32.71 H new ATOM 998 N LYS A 63 -11.530 2.741 3.217 1.00 11.73 N ATOM 999 CA LYS A 63 -11.310 3.998 2.571 1.00 11.97 C ATOM 1000 C LYS A 63 -10.601 4.912 3.510 1.00 10.41 C ATOM 1001 O LYS A 63 -10.867 4.868 4.710 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.571 4.691 2.028 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.702 4.937 3.029 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.918 5.670 2.459 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.016 5.933 3.492 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.388 6.735 4.566 1.00 25.97 N ATOM 0 H LYS A 63 -12.497 2.609 3.513 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.708 3.774 1.690 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.276 5.651 1.604 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.965 4.089 1.210 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.029 3.977 3.429 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.308 5.513 3.866 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.593 6.621 2.037 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.334 5.083 1.640 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.852 6.470 3.044 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.412 4.997 3.886 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.094 7.378 4.978 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.025 6.101 5.306 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.603 7.291 4.170 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.727 5.798 2.998 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.132 6.925 3.645 1.00 10.94 C ATOM 1022 C GLU A 64 -8.235 6.528 4.766 1.00 9.74 C ATOM 1023 O GLU A 64 -7.836 7.328 5.611 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.068 7.997 4.229 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.161 8.451 3.258 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.292 9.159 3.990 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.274 8.497 4.419 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -12.170 10.408 4.099 1.00 31.72 O ATOM 0 H GLU A 64 -9.407 5.713 2.033 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.607 7.370 2.800 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.536 7.606 5.132 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.475 8.862 4.526 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.733 9.120 2.512 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.556 7.588 2.722 1.00 24.16 H new ATOM 1035 N SER A 65 -7.781 5.267 4.649 1.00 6.85 N ATOM 1036 CA SER A 65 -6.982 4.664 5.670 1.00 6.90 C ATOM 1037 C SER A 65 -5.534 4.665 5.320 1.00 4.72 C ATOM 1038 O SER A 65 -5.083 4.805 4.184 1.00 3.91 O ATOM 1039 CB SER A 65 -7.486 3.212 5.746 1.00 7.28 C ATOM 1040 OG SER A 65 -6.963 2.540 6.882 1.00 10.56 O ATOM 0 H SER A 65 -7.967 4.665 3.847 1.00 6.85 H new ATOM 0 HA SER A 65 -7.072 5.209 6.610 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.575 3.205 5.787 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.198 2.678 4.841 1.00 7.28 H new ATOM 0 HG SER A 65 -7.303 1.621 6.903 1.00 10.56 H new ATOM 1046 N THR A 66 -4.613 4.526 6.290 1.00 4.48 N ATOM 1047 CA THR A 66 -3.216 4.790 6.134 1.00 3.80 C ATOM 1048 C THR A 66 -2.420 3.532 6.200 1.00 4.60 C ATOM 1049 O THR A 66 -2.202 2.928 7.249 1.00 5.33 O ATOM 1050 CB THR A 66 -2.634 5.769 7.109 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.394 6.967 7.062 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.209 6.149 6.674 1.00 3.40 C ATOM 0 H THR A 66 -4.855 4.214 7.230 1.00 4.48 H new ATOM 0 HA THR A 66 -3.149 5.251 5.148 1.00 3.80 H new ATOM 0 HB THR A 66 -2.637 5.319 8.102 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.023 7.615 7.697 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.789 6.861 7.385 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.587 5.255 6.645 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.240 6.602 5.683 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.866 3.110 5.049 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.802 2.159 4.961 1.00 3.85 C ATOM 1062 C LEU A 67 0.516 2.836 5.122 1.00 3.80 C ATOM 1063 O LEU A 67 0.720 4.001 4.784 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.843 1.493 3.576 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.178 0.864 3.142 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -1.913 0.054 1.862 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.777 -0.008 4.259 1.00 8.12 C ATOM 0 H LEU A 67 -2.175 3.448 4.137 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.925 1.418 5.751 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.563 2.240 2.833 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.079 0.716 3.551 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.916 1.641 2.943 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -2.841 -0.408 1.525 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.534 0.717 1.084 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.176 -0.722 2.069 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.720 -0.437 3.920 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.082 -0.810 4.507 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.955 0.604 5.143 1.00 8.12 H new ATOM 1079 N HIS A 68 1.530 2.186 5.722 1.00 2.94 N ATOM 1080 CA HIS A 68 2.823 2.767 5.910 1.00 4.17 C ATOM 1081 C HIS A 68 3.752 2.109 4.949 1.00 5.32 C ATOM 1082 O HIS A 68 3.791 0.884 5.050 1.00 7.70 O ATOM 1083 CB HIS A 68 3.377 2.520 7.324 1.00 5.57 C ATOM 1084 CG HIS A 68 2.412 2.844 8.426 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.657 2.414 9.714 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.341 3.680 8.487 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.651 2.930 10.469 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.815 3.668 9.762 1.00 16.30 N ATOM 0 H HIS A 68 1.449 1.236 6.084 1.00 2.94 H new ATOM 0 HA HIS A 68 2.738 3.843 5.758 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.671 1.474 7.409 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.279 3.117 7.458 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.960 4.264 7.662 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.547 2.756 11.530 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.035 4.129 10.088 1.00 16.30 H new ATOM 1096 N LEU A 69 4.515 2.779 4.067 1.00 5.29 N ATOM 1097 CA LEU A 69 5.325 2.241 3.018 1.00 3.97 C ATOM 1098 C LEU A 69 6.704 2.359 3.568 1.00 5.07 C ATOM 1099 O LEU A 69 7.163 3.468 3.840 1.00 4.34 O ATOM 1100 CB LEU A 69 5.187 3.214 1.835 1.00 6.08 C ATOM 1101 CG LEU A 69 6.077 2.974 0.604 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.861 1.582 -0.011 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.791 4.046 -0.461 1.00 6.87 C ATOM 0 H LEU A 69 4.568 3.797 4.093 1.00 5.29 H new ATOM 0 HA LEU A 69 5.073 1.227 2.707 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.148 3.197 1.506 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.388 4.220 2.203 1.00 6.08 H new ATOM 0 HG LEU A 69 7.113 3.034 0.938 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.512 1.462 -0.877 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.096 0.817 0.729 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.821 1.479 -0.322 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.424 3.872 -1.331 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.743 3.994 -0.758 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.003 5.033 -0.050 1.00 6.87 H new ATOM 1115 N VAL A 70 7.325 1.206 3.872 1.00 4.29 N ATOM 1116 CA VAL A 70 8.617 1.084 4.474 1.00 6.26 C ATOM 1117 C VAL A 70 9.506 0.607 3.377 1.00 9.22 C ATOM 1118 O VAL A 70 9.133 -0.181 2.509 1.00 9.36 O ATOM 1119 CB VAL A 70 8.566 0.205 5.688 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.876 0.394 6.472 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.442 0.743 6.590 1.00 8.54 C ATOM 0 H VAL A 70 6.896 0.300 3.685 1.00 4.29 H new ATOM 0 HA VAL A 70 9.006 2.022 4.871 1.00 6.26 H new ATOM 0 HB VAL A 70 8.414 -0.837 5.406 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.862 -0.236 7.361 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.721 0.115 5.842 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.975 1.438 6.769 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.371 0.129 7.488 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.662 1.773 6.871 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.495 0.709 6.051 1.00 8.54 H new ATOM 1131 N LEU A 71 10.808 0.933 3.461 1.00 12.71 N ATOM 1132 CA LEU A 71 11.704 0.227 2.598 1.00 16.06 C ATOM 1133 C LEU A 71 12.194 -0.920 3.414 1.00 18.09 C ATOM 1134 O LEU A 71 12.553 -0.816 4.586 1.00 19.26 O ATOM 1135 CB LEU A 71 12.809 1.215 2.189 1.00 17.10 C ATOM 1136 CG LEU A 71 12.465 2.153 1.019 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.275 3.104 1.232 1.00 19.57 C ATOM 1138 CD2 LEU A 71 13.697 2.998 0.653 1.00 17.51 C ATOM 0 H LEU A 71 11.220 1.633 4.078 1.00 12.71 H new ATOM 0 HA LEU A 71 11.265 -0.155 1.676 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.065 1.824 3.056 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.700 0.646 1.925 1.00 17.10 H new ATOM 0 HG LEU A 71 12.161 1.478 0.219 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.132 3.713 0.339 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.374 2.522 1.423 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.475 3.752 2.085 1.00 19.57 H new ATOM 0 HD21 LEU A 71 13.450 3.661 -0.176 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.000 3.592 1.515 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.515 2.340 0.360 1.00 17.51 H new ATOM 1150 N ARG A 72 12.249 -2.110 2.789 1.00 21.47 N ATOM 1151 CA ARG A 72 12.983 -3.242 3.263 1.00 25.83 C ATOM 1152 C ARG A 72 14.328 -3.289 2.624 1.00 27.74 C ATOM 1153 O ARG A 72 14.384 -3.110 1.408 1.00 30.65 O ATOM 1154 CB ARG A 72 12.155 -4.535 3.182 1.00 28.49 C ATOM 1155 CG ARG A 72 12.123 -5.245 1.828 1.00 31.79 C ATOM 1156 CD ARG A 72 11.174 -6.438 1.697 1.00 34.05 C ATOM 1157 NE ARG A 72 11.574 -7.533 2.625 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.945 -8.745 2.627 1.00 34.67 C ATOM 1159 NH1 ARG A 72 9.842 -8.942 1.847 1.00 35.02 N ATOM 1160 NH2 ARG A 72 11.457 -9.678 3.481 1.00 34.97 N ATOM 0 H ARG A 72 11.759 -2.291 1.913 1.00 21.47 H new ATOM 0 HA ARG A 72 13.179 -3.136 4.330 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.541 -5.234 3.924 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.130 -4.301 3.468 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.855 -4.513 1.067 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.132 -5.587 1.600 1.00 31.79 H new ATOM 0 HD2 ARG A 72 10.154 -6.123 1.916 1.00 34.05 H new ATOM 0 HD3 ARG A 72 11.181 -6.804 0.670 1.00 34.05 H new ATOM 0 HE ARG A 72 12.341 -7.372 3.278 1.00 35.08 H new ATOM 0 HH11 ARG A 72 9.488 -8.184 1.263 1.00 35.02 H new ATOM 0 HH12 ARG A 72 9.372 -9.847 1.848 1.00 35.02 H new ATOM 0 HH21 ARG A 72 12.260 -9.448 4.066 1.00 34.97 H new ATOM 0 HH22 ARG A 72 11.036 -10.606 3.535 1.00 34.97 H new ATOM 1174 N LEU A 73 15.410 -3.503 3.393 1.00 28.93 N ATOM 1175 CA LEU A 73 16.738 -3.646 2.880 1.00 30.76 C ATOM 1176 C LEU A 73 17.079 -5.095 2.942 1.00 32.18 C ATOM 1177 O LEU A 73 16.227 -5.975 3.053 1.00 32.31 O ATOM 1178 CB LEU A 73 17.809 -2.864 3.661 1.00 30.53 C ATOM 1179 CG LEU A 73 18.857 -2.245 2.721 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.232 -1.159 1.830 1.00 29.11 C ATOM 1181 CD2 LEU A 73 20.011 -1.481 3.392 1.00 29.57 C ATOM 0 H LEU A 73 15.359 -3.579 4.409 1.00 28.93 H new ATOM 0 HA LEU A 73 16.742 -3.240 1.869 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.332 -2.076 4.244 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.303 -3.530 4.369 1.00 30.53 H new ATOM 0 HG LEU A 73 19.230 -3.129 2.204 1.00 30.16 H new ATOM 0 HD11 LEU A 73 18.997 -0.740 1.176 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.438 -1.597 1.225 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.817 -0.369 2.456 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.683 -1.092 2.627 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.608 -0.654 3.976 1.00 29.57 H new ATOM 0 HD23 LEU A 73 20.561 -2.155 4.049 1.00 29.57 H new ATOM 1193 N ARG A 74 18.373 -5.442 2.825 1.00 33.82 N ATOM 1194 CA ARG A 74 18.724 -6.825 2.920 1.00 35.33 C ATOM 1195 C ARG A 74 18.541 -7.441 4.264 1.00 36.22 C ATOM 1196 O ARG A 74 18.667 -6.775 5.290 1.00 36.70 O ATOM 1197 CB ARG A 74 20.134 -7.006 2.332 1.00 36.91 C ATOM 1198 CG ARG A 74 20.133 -6.573 0.865 1.00 38.62 C ATOM 1199 CD ARG A 74 19.433 -7.529 -0.103 1.00 39.75 C ATOM 1200 NE ARG A 74 19.548 -6.931 -1.462 1.00 41.13 N ATOM 1201 CZ ARG A 74 19.029 -7.413 -2.629 1.00 41.91 C ATOM 1202 NH1 ARG A 74 18.387 -8.617 -2.686 1.00 42.75 N ATOM 1203 NH2 ARG A 74 19.206 -6.675 -3.764 1.00 41.93 N ATOM 0 H ARG A 74 19.148 -4.796 2.671 1.00 33.82 H new ATOM 0 HA ARG A 74 18.008 -7.394 2.328 1.00 35.33 H new ATOM 0 HB2 ARG A 74 20.854 -6.414 2.897 1.00 36.91 H new ATOM 0 HB3 ARG A 74 20.443 -8.048 2.415 1.00 36.91 H new ATOM 0 HG2 ARG A 74 19.655 -5.596 0.793 1.00 38.62 H new ATOM 0 HG3 ARG A 74 21.166 -6.447 0.541 1.00 38.62 H new ATOM 0 HD2 ARG A 74 19.897 -8.515 -0.075 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.387 -7.661 0.173 1.00 39.75 H new ATOM 0 HE ARG A 74 20.076 -6.061 -1.529 1.00 41.13 H new ATOM 0 HH11 ARG A 74 18.285 -9.181 -1.842 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.009 -8.952 -3.572 1.00 42.75 H new ATOM 0 HH21 ARG A 74 19.714 -5.791 -3.724 1.00 41.93 H new ATOM 0 HH22 ARG A 74 18.830 -7.007 -4.652 1.00 41.93 H new ATOM 1217 N GLY A 75 18.258 -8.754 4.339 1.00 36.31 N ATOM 1218 CA GLY A 75 18.138 -9.465 5.574 1.00 36.07 C ATOM 1219 C GLY A 75 16.807 -10.074 5.855 1.00 36.16 C ATOM 1220 O GLY A 75 16.626 -11.290 5.831 1.00 36.26 O ATOM 0 H GLY A 75 18.108 -9.338 3.516 1.00 36.31 H new ATOM 0 HA2 GLY A 75 18.887 -10.257 5.588 1.00 36.07 H new ATOM 0 HA3 GLY A 75 18.381 -8.782 6.388 1.00 36.07 H new ATOM 1224 N GLY A 76 15.775 -9.268 6.162 1.00 36.05 N ATOM 1225 CA GLY A 76 14.529 -9.843 6.565 1.00 36.19 C ATOM 1226 C GLY A 76 13.478 -8.775 6.299 1.00 36.20 C ATOM 1227 O GLY A 76 13.354 -8.413 5.098 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.767 -8.200 7.165 1.00 36.27 O ATOM 0 H GLY A 76 15.799 -8.249 6.133 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.316 -10.751 6.001 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.548 -10.120 7.619 1.00 36.19 H new TER 1232 GLY A 76