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=-0.00317) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.26 (180deg=0.941) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.193 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= -0.0294 K(o=-0.029,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.0073 K(o=-0.0073,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00441 (180deg=-0.0907) USER MOD Single : A 40 GLN : amide:sc= -0.149 K(o=-0.15,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= 0.827 K(o=0.83,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0152 K(o=-0.015,f=-1.1!) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.689 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00378 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00334 X(o=-0.0033,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.531 -7.369 -5.120 1.00 9.67 N ATOM 2 CA MET A 1 11.386 -8.007 -3.761 1.00 10.38 C ATOM 3 C MET A 1 9.931 -8.236 -3.421 1.00 9.62 C ATOM 4 O MET A 1 9.045 -7.924 -4.270 1.00 9.62 O ATOM 5 CB MET A 1 12.096 -7.113 -2.762 1.00 13.77 C ATOM 6 CG MET A 1 11.475 -5.730 -2.505 1.00 16.29 C ATOM 7 SD MET A 1 12.496 -4.576 -1.672 1.00 17.17 S ATOM 8 CE MET A 1 11.244 -3.291 -1.443 1.00 16.11 C ATOM 0 H1 MET A 1 12.348 -6.726 -5.116 1.00 9.67 H new ATOM 0 H2 MET A 1 11.676 -8.108 -5.837 1.00 9.67 H new ATOM 0 H3 MET A 1 10.669 -6.832 -5.345 1.00 9.67 H new ATOM 0 HA MET A 1 11.844 -8.996 -3.741 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.151 -7.643 -1.811 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.120 -6.967 -3.105 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.182 -5.301 -3.463 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.563 -5.865 -1.924 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.690 -2.435 -0.937 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.861 -2.979 -2.415 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.426 -3.684 -0.839 1.00 16.11 H new ATOM 20 N GLN A 2 9.678 -8.807 -2.185 1.00 9.27 N ATOM 21 CA GLN A 2 8.276 -9.056 -1.847 1.00 9.07 C ATOM 22 C GLN A 2 8.080 -8.273 -0.520 1.00 8.72 C ATOM 23 O GLN A 2 8.968 -8.126 0.312 1.00 8.22 O ATOM 24 CB GLN A 2 7.923 -10.532 -1.680 1.00 14.46 C ATOM 25 CG GLN A 2 7.712 -11.247 -3.025 1.00 17.01 C ATOM 26 CD GLN A 2 7.443 -12.745 -2.803 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.480 -13.188 -1.627 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.986 -13.460 -3.804 1.00 19.49 N ATOM 0 H GLN A 2 10.372 -9.072 -1.486 1.00 9.27 H new ATOM 0 HA GLN A 2 7.616 -8.734 -2.653 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.719 -11.032 -1.128 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.017 -10.619 -1.081 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.874 -10.796 -3.556 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.593 -11.119 -3.654 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.971 -13.068 -4.746 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.646 -14.408 -3.640 1.00 19.49 H new ATOM 37 N ILE A 3 6.852 -7.738 -0.324 1.00 5.87 N ATOM 38 CA ILE A 3 6.417 -7.124 0.916 1.00 5.07 C ATOM 39 C ILE A 3 5.025 -7.659 1.244 1.00 4.01 C ATOM 40 O ILE A 3 4.287 -8.173 0.402 1.00 4.61 O ATOM 41 CB ILE A 3 6.376 -5.581 0.788 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.358 -5.085 -0.268 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.860 -5.011 0.527 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.041 -3.564 -0.047 1.00 10.83 C ATOM 0 H ILE A 3 6.134 -7.730 -1.049 1.00 5.87 H new ATOM 0 HA ILE A 3 7.120 -7.369 1.712 1.00 5.07 H new ATOM 0 HB ILE A 3 6.015 -5.180 1.735 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.759 -5.238 -1.270 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.440 -5.668 -0.200 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.822 -3.925 0.438 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.507 -5.285 1.361 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.256 -5.437 -0.395 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.324 -3.229 -0.797 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.619 -3.421 0.948 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.959 -2.984 -0.139 1.00 10.83 H new ATOM 56 N PHE A 4 4.678 -7.623 2.536 1.00 4.55 N ATOM 57 CA PHE A 4 3.375 -8.044 3.011 1.00 4.68 C ATOM 58 C PHE A 4 2.556 -6.761 3.258 1.00 5.30 C ATOM 59 O PHE A 4 3.025 -5.677 3.535 1.00 5.58 O ATOM 60 CB PHE A 4 3.524 -8.801 4.312 1.00 4.83 C ATOM 61 CG PHE A 4 4.476 -9.898 4.145 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.338 -10.954 3.171 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.647 -9.911 4.966 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.283 -11.903 2.997 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.661 -10.841 4.748 1.00 10.61 C ATOM 66 CZ PHE A 4 6.436 -11.899 3.817 1.00 8.90 C ATOM 0 H PHE A 4 5.302 -7.299 3.275 1.00 4.55 H new ATOM 0 HA PHE A 4 2.887 -8.695 2.286 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.867 -8.127 5.097 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.557 -9.192 4.628 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.448 -10.986 2.560 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.746 -9.191 5.765 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.159 -12.660 2.237 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.601 -10.763 5.274 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.152 -12.704 3.738 1.00 8.90 H new ATOM 76 N VAL A 5 1.253 -6.888 3.017 1.00 4.44 N ATOM 77 CA VAL A 5 0.358 -5.798 3.301 1.00 3.87 C ATOM 78 C VAL A 5 -0.792 -6.474 4.020 1.00 4.93 C ATOM 79 O VAL A 5 -1.234 -7.534 3.577 1.00 6.84 O ATOM 80 CB VAL A 5 -0.198 -4.986 2.088 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.276 -3.999 2.586 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.998 -4.186 1.479 1.00 9.13 C ATOM 0 H VAL A 5 0.811 -7.723 2.633 1.00 4.44 H new ATOM 0 HA VAL A 5 0.906 -5.037 3.857 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.642 -5.648 1.344 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.666 -3.430 1.742 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.088 -4.554 3.056 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.836 -3.315 3.312 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.650 -3.604 0.626 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.408 -3.515 2.233 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.772 -4.881 1.152 1.00 9.13 H new ATOM 92 N LYS A 6 -1.230 -5.945 5.184 1.00 6.04 N ATOM 93 CA LYS A 6 -2.320 -6.440 6.009 1.00 6.12 C ATOM 94 C LYS A 6 -3.485 -5.481 5.894 1.00 6.57 C ATOM 95 O LYS A 6 -3.345 -4.268 5.747 1.00 5.76 O ATOM 96 CB LYS A 6 -1.847 -6.472 7.473 1.00 7.45 C ATOM 97 CG LYS A 6 -0.719 -7.375 7.765 1.00 11.12 C ATOM 98 CD LYS A 6 -0.277 -7.297 9.239 1.00 14.54 C ATOM 99 CE LYS A 6 -1.273 -7.685 10.329 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.683 -7.372 11.643 1.00 20.55 N ATOM 0 H LYS A 6 -0.797 -5.112 5.584 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.620 -7.437 5.687 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.563 -5.461 7.765 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.690 -6.760 8.101 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.005 -8.400 7.527 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.123 -7.121 7.121 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.601 -7.932 9.354 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.042 -6.273 9.434 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.209 -7.142 10.196 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.509 -8.747 10.264 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.353 -7.632 12.395 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.199 -7.909 11.764 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.479 -6.354 11.698 1.00 20.55 H new ATOM 114 N THR A 7 -4.685 -5.950 6.028 1.00 7.41 N ATOM 115 CA THR A 7 -5.940 -5.193 5.905 1.00 7.48 C ATOM 116 C THR A 7 -6.835 -5.659 7.123 1.00 8.75 C ATOM 117 O THR A 7 -6.534 -6.587 7.856 1.00 8.58 O ATOM 118 CB THR A 7 -6.631 -5.405 4.575 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.840 -4.621 4.505 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.911 -6.846 4.282 1.00 9.17 C ATOM 0 H THR A 7 -4.850 -6.934 6.240 1.00 7.41 H new ATOM 0 HA THR A 7 -5.749 -4.120 5.933 1.00 7.48 H new ATOM 0 HB THR A 7 -5.940 -5.066 3.804 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.275 -4.767 3.639 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.407 -6.931 3.315 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.973 -7.401 4.259 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.557 -7.256 5.058 1.00 9.17 H new ATOM 128 N LEU A 8 -8.006 -4.924 7.356 1.00 9.84 N ATOM 129 CA LEU A 8 -8.924 -4.801 8.554 1.00 14.15 C ATOM 130 C LEU A 8 -9.629 -6.104 8.796 1.00 17.37 C ATOM 131 O LEU A 8 -10.154 -6.298 9.900 1.00 17.01 O ATOM 132 CB LEU A 8 -9.993 -3.716 8.317 1.00 16.63 C ATOM 133 CG LEU A 8 -9.548 -2.342 7.766 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.674 -1.271 7.810 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.432 -1.780 8.622 1.00 18.59 C ATOM 0 H LEU A 8 -8.361 -4.334 6.603 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.312 -4.531 9.415 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.732 -4.125 7.627 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.503 -3.542 9.264 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.249 -2.528 6.734 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.297 -0.330 7.409 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.520 -1.608 7.211 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.996 -1.123 8.841 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.123 -0.812 8.228 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.785 -1.659 9.646 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.584 -2.464 8.609 1.00 18.59 H new ATOM 147 N THR A 9 -9.664 -6.956 7.769 1.00 18.33 N ATOM 148 CA THR A 9 -10.297 -8.289 7.939 1.00 19.24 C ATOM 149 C THR A 9 -9.340 -9.338 8.473 1.00 19.48 C ATOM 150 O THR A 9 -9.726 -10.506 8.726 1.00 23.14 O ATOM 151 CB THR A 9 -10.667 -8.862 6.604 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.493 -8.910 5.802 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.709 -7.938 5.863 1.00 19.70 C ATOM 0 H THR A 9 -9.282 -6.770 6.842 1.00 18.33 H new ATOM 0 HA THR A 9 -11.134 -8.107 8.613 1.00 19.24 H new ATOM 0 HB THR A 9 -11.102 -9.850 6.755 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.712 -9.284 4.923 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.961 -8.376 4.897 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.611 -7.849 6.468 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.275 -6.950 5.711 1.00 19.70 H new ATOM 161 N GLY A 10 -8.136 -8.961 8.800 1.00 19.43 N ATOM 162 CA GLY A 10 -7.107 -9.820 9.297 1.00 18.74 C ATOM 163 C GLY A 10 -6.419 -10.567 8.225 1.00 17.62 C ATOM 164 O GLY A 10 -5.418 -11.240 8.381 1.00 19.74 O ATOM 0 H GLY A 10 -7.833 -7.990 8.721 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.377 -9.225 9.846 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.540 -10.526 10.006 1.00 18.74 H new ATOM 168 N LYS A 11 -6.901 -10.422 6.973 1.00 13.56 N ATOM 169 CA LYS A 11 -6.201 -10.935 5.815 1.00 11.91 C ATOM 170 C LYS A 11 -4.834 -10.285 5.547 1.00 10.18 C ATOM 171 O LYS A 11 -4.611 -9.061 5.584 1.00 9.10 O ATOM 172 CB LYS A 11 -7.140 -10.962 4.492 1.00 13.43 C ATOM 173 CG LYS A 11 -6.592 -11.866 3.362 1.00 16.69 C ATOM 174 CD LYS A 11 -7.515 -12.040 2.178 1.00 17.92 C ATOM 175 CE LYS A 11 -6.931 -13.043 1.122 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.776 -13.147 -0.044 1.00 21.93 N ATOM 0 H LYS A 11 -7.778 -9.949 6.755 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.966 -11.968 6.072 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.136 -11.306 4.771 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.248 -9.946 4.113 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.648 -11.449 3.010 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.371 -12.849 3.779 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.484 -12.400 2.523 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.684 -11.073 1.705 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.936 -12.716 0.821 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.819 -14.027 1.578 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.575 -14.039 -0.540 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.774 -13.131 0.248 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.589 -12.347 -0.681 1.00 21.93 H new ATOM 190 N THR A 12 -3.825 -11.116 5.183 1.00 9.63 N ATOM 191 CA THR A 12 -2.456 -10.664 4.924 1.00 9.85 C ATOM 192 C THR A 12 -2.074 -11.082 3.525 1.00 11.66 C ATOM 193 O THR A 12 -2.230 -12.285 3.228 1.00 12.33 O ATOM 194 CB THR A 12 -1.375 -11.336 5.829 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.533 -10.854 7.162 1.00 10.91 O ATOM 196 CG2 THR A 12 0.064 -10.962 5.468 1.00 9.63 C ATOM 0 H THR A 12 -3.950 -12.121 5.063 1.00 9.63 H new ATOM 0 HA THR A 12 -2.467 -9.589 5.105 1.00 9.85 H new ATOM 0 HB THR A 12 -1.521 -12.409 5.703 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.861 -11.269 7.742 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.752 -11.470 6.143 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.272 -11.265 4.442 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.194 -9.884 5.561 1.00 9.63 H new ATOM 204 N ILE A 13 -1.582 -10.164 2.654 1.00 10.42 N ATOM 205 CA ILE A 13 -1.246 -10.361 1.281 1.00 11.84 C ATOM 206 C ILE A 13 0.188 -10.071 0.945 1.00 10.55 C ATOM 207 O ILE A 13 0.760 -9.017 1.189 1.00 11.92 O ATOM 208 CB ILE A 13 -2.300 -9.824 0.238 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.569 -8.314 0.339 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.582 -10.678 0.386 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.435 -7.703 -0.794 1.00 16.46 C ATOM 0 H ILE A 13 -1.408 -9.203 2.949 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.329 -11.441 1.157 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.891 -9.934 -0.766 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.059 -8.115 1.292 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.611 -7.794 0.358 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.334 -10.332 -0.323 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.348 -11.723 0.185 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.969 -10.581 1.401 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.560 -6.634 -0.621 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.942 -7.860 -1.753 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.412 -8.185 -0.805 1.00 16.46 H new ATOM 223 N THR A 14 0.878 -11.087 0.390 1.00 9.39 N ATOM 224 CA THR A 14 2.178 -10.935 -0.187 1.00 9.63 C ATOM 225 C THR A 14 2.135 -10.205 -1.501 1.00 11.20 C ATOM 226 O THR A 14 1.504 -10.644 -2.429 1.00 11.63 O ATOM 227 CB THR A 14 2.793 -12.321 -0.569 1.00 10.38 C ATOM 228 OG1 THR A 14 2.862 -12.945 0.666 1.00 16.30 O ATOM 229 CG2 THR A 14 4.237 -12.220 -1.136 1.00 11.66 C ATOM 0 H THR A 14 0.520 -12.041 0.342 1.00 9.39 H new ATOM 0 HA THR A 14 2.753 -10.399 0.568 1.00 9.63 H new ATOM 0 HB THR A 14 2.208 -12.822 -1.340 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.469 -12.446 1.251 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.603 -13.217 -1.380 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.232 -11.605 -2.036 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.890 -11.767 -0.390 1.00 11.66 H new ATOM 237 N LEU A 15 2.722 -9.000 -1.528 1.00 8.29 N ATOM 238 CA LEU A 15 2.901 -8.198 -2.724 1.00 9.03 C ATOM 239 C LEU A 15 4.317 -8.309 -3.267 1.00 8.59 C ATOM 240 O LEU A 15 5.289 -8.551 -2.506 1.00 7.79 O ATOM 241 CB LEU A 15 2.531 -6.666 -2.531 1.00 11.08 C ATOM 242 CG LEU A 15 1.052 -6.439 -2.051 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.853 -4.968 -1.964 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.000 -7.025 -3.004 1.00 15.27 C ATOM 0 H LEU A 15 3.092 -8.553 -0.689 1.00 8.29 H new ATOM 0 HA LEU A 15 2.197 -8.613 -3.445 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.213 -6.223 -1.805 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.684 -6.141 -3.474 1.00 11.08 H new ATOM 0 HG LEU A 15 0.917 -6.948 -1.097 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.164 -4.757 -1.633 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.561 -4.547 -1.251 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.016 -4.520 -2.944 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.997 -6.831 -2.609 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.099 -6.560 -3.985 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.151 -8.101 -3.095 1.00 15.27 H new ATOM 256 N GLU A 16 4.491 -8.126 -4.560 1.00 11.04 N ATOM 257 CA GLU A 16 5.752 -8.144 -5.192 1.00 11.50 C ATOM 258 C GLU A 16 5.952 -6.688 -5.746 1.00 10.13 C ATOM 259 O GLU A 16 5.164 -6.105 -6.479 1.00 9.83 O ATOM 260 CB GLU A 16 5.839 -9.233 -6.287 1.00 17.22 C ATOM 261 CG GLU A 16 7.312 -9.395 -6.774 1.00 23.33 C ATOM 262 CD GLU A 16 7.292 -10.457 -7.834 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.757 -10.142 -8.930 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.649 -11.658 -7.565 1.00 28.90 O ATOM 0 H GLU A 16 3.718 -7.956 -5.204 1.00 11.04 H new ATOM 0 HA GLU A 16 6.553 -8.410 -4.502 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.472 -10.182 -5.896 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.198 -8.965 -7.127 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.695 -8.456 -7.172 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.965 -9.681 -5.949 1.00 23.33 H new ATOM 271 N VAL A 17 7.138 -6.185 -5.417 1.00 8.99 N ATOM 272 CA VAL A 17 7.459 -4.770 -5.527 1.00 8.85 C ATOM 273 C VAL A 17 8.908 -4.615 -5.899 1.00 8.04 C ATOM 274 O VAL A 17 9.821 -5.427 -5.535 1.00 8.99 O ATOM 275 CB VAL A 17 7.109 -3.943 -4.238 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.610 -3.825 -3.989 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.852 -4.465 -3.027 1.00 10.54 C ATOM 0 H VAL A 17 7.908 -6.754 -5.064 1.00 8.99 H new ATOM 0 HA VAL A 17 6.829 -4.354 -6.313 1.00 8.85 H new ATOM 0 HB VAL A 17 7.455 -2.926 -4.421 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.436 -3.242 -3.084 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.138 -3.328 -4.837 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.182 -4.820 -3.868 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.587 -3.870 -2.153 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.579 -5.506 -2.854 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.926 -4.395 -3.201 1.00 10.54 H new ATOM 287 N GLU A 18 9.215 -3.590 -6.699 1.00 7.29 N ATOM 288 CA GLU A 18 10.581 -3.121 -6.844 1.00 7.08 C ATOM 289 C GLU A 18 10.645 -1.989 -5.949 1.00 6.45 C ATOM 290 O GLU A 18 9.574 -1.368 -5.767 1.00 5.28 O ATOM 291 CB GLU A 18 10.843 -2.534 -8.237 1.00 10.28 C ATOM 292 CG GLU A 18 10.868 -3.549 -9.405 1.00 12.65 C ATOM 293 CD GLU A 18 12.280 -4.074 -9.593 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.686 -5.100 -8.940 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.027 -3.610 -10.465 1.00 14.33 O ATOM 0 H GLU A 18 8.531 -3.074 -7.253 1.00 7.29 H new ATOM 0 HA GLU A 18 11.282 -3.935 -6.662 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.076 -1.788 -8.446 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.799 -2.011 -8.216 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.187 -4.374 -9.198 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.521 -3.072 -10.322 1.00 12.65 H new ATOM 302 N PRO A 19 11.794 -1.610 -5.365 1.00 7.24 N ATOM 303 CA PRO A 19 11.778 -0.524 -4.419 1.00 7.07 C ATOM 304 C PRO A 19 11.623 0.877 -5.038 1.00 6.65 C ATOM 305 O PRO A 19 11.673 1.861 -4.328 1.00 6.37 O ATOM 306 CB PRO A 19 13.134 -0.663 -3.764 1.00 7.61 C ATOM 307 CG PRO A 19 13.993 -1.044 -4.939 1.00 8.16 C ATOM 308 CD PRO A 19 13.151 -2.083 -5.578 1.00 7.49 C ATOM 0 HA PRO A 19 10.918 -0.592 -3.752 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.463 0.266 -3.299 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.138 -1.427 -2.987 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.182 -0.200 -5.603 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.964 -1.432 -4.632 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.377 -2.184 -6.639 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.309 -3.061 -5.124 1.00 7.49 H new ATOM 316 N SER A 20 11.529 0.910 -6.336 1.00 6.80 N ATOM 317 CA SER A 20 11.427 1.999 -7.236 1.00 6.28 C ATOM 318 C SER A 20 9.931 2.273 -7.546 1.00 8.45 C ATOM 319 O SER A 20 9.644 3.375 -8.090 1.00 7.26 O ATOM 320 CB SER A 20 12.312 1.795 -8.526 1.00 8.57 C ATOM 321 OG SER A 20 12.019 0.568 -9.197 1.00 11.13 O ATOM 0 H SER A 20 11.522 0.031 -6.854 1.00 6.80 H new ATOM 0 HA SER A 20 11.836 2.892 -6.763 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.150 2.628 -9.210 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.366 1.811 -8.247 1.00 8.57 H new ATOM 0 HG SER A 20 12.589 0.485 -9.990 1.00 11.13 H new ATOM 327 N ASP A 21 9.027 1.329 -7.211 1.00 7.50 N ATOM 328 CA ASP A 21 7.622 1.532 -7.477 1.00 7.70 C ATOM 329 C ASP A 21 7.092 2.691 -6.670 1.00 7.08 C ATOM 330 O ASP A 21 7.547 2.975 -5.541 1.00 8.11 O ATOM 331 CB ASP A 21 6.956 0.192 -7.272 1.00 11.00 C ATOM 332 CG ASP A 21 7.227 -0.794 -8.422 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.223 -0.354 -9.613 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.336 -2.027 -8.172 1.00 18.03 O ATOM 0 H ASP A 21 9.257 0.441 -6.765 1.00 7.50 H new ATOM 0 HA ASP A 21 7.406 1.842 -8.499 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.307 -0.243 -6.337 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.881 0.338 -7.171 1.00 11.00 H new ATOM 339 N THR A 22 6.166 3.436 -7.182 1.00 5.37 N ATOM 340 CA THR A 22 5.468 4.449 -6.428 1.00 6.01 C ATOM 341 C THR A 22 4.279 3.855 -5.717 1.00 8.01 C ATOM 342 O THR A 22 3.704 2.832 -6.036 1.00 8.11 O ATOM 343 CB THR A 22 5.030 5.654 -7.283 1.00 8.92 C ATOM 344 OG1 THR A 22 4.209 5.324 -8.353 1.00 10.22 O ATOM 345 CG2 THR A 22 6.164 6.506 -7.794 1.00 9.65 C ATOM 0 H THR A 22 5.862 3.363 -8.153 1.00 5.37 H new ATOM 0 HA THR A 22 6.180 4.829 -5.696 1.00 6.01 H new ATOM 0 HB THR A 22 4.455 6.241 -6.567 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.972 6.137 -8.846 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.763 7.329 -8.385 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.728 6.905 -6.951 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.823 5.900 -8.416 1.00 9.65 H new ATOM 353 N ILE A 23 3.799 4.549 -4.628 1.00 8.32 N ATOM 354 CA ILE A 23 2.711 4.130 -3.777 1.00 9.92 C ATOM 355 C ILE A 23 1.392 4.018 -4.541 1.00 10.01 C ATOM 356 O ILE A 23 0.571 3.132 -4.322 1.00 8.71 O ATOM 357 CB ILE A 23 2.459 5.152 -2.708 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.741 5.217 -1.799 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.254 4.934 -1.928 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.179 3.912 -1.047 1.00 12.30 C ATOM 0 H ILE A 23 4.198 5.442 -4.340 1.00 8.32 H new ATOM 0 HA ILE A 23 3.009 3.163 -3.371 1.00 9.92 H new ATOM 0 HB ILE A 23 2.274 6.109 -3.196 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.576 5.539 -2.422 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.581 5.995 -1.052 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.156 5.722 -1.181 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.386 4.949 -2.587 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.314 3.967 -1.429 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.077 4.113 -0.462 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.378 3.589 -0.382 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.387 3.126 -1.773 1.00 12.30 H new ATOM 372 N GLU A 24 1.134 4.865 -5.545 1.00 9.54 N ATOM 373 CA GLU A 24 -0.013 4.758 -6.439 1.00 11.81 C ATOM 374 C GLU A 24 -0.015 3.425 -7.205 1.00 11.14 C ATOM 375 O GLU A 24 -1.006 2.690 -7.109 1.00 10.62 O ATOM 376 CB GLU A 24 0.007 5.987 -7.364 1.00 19.24 C ATOM 377 CG GLU A 24 -1.125 6.008 -8.428 1.00 27.76 C ATOM 378 CD GLU A 24 -1.055 7.253 -9.282 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.081 8.392 -8.757 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.089 7.102 -10.535 1.00 34.80 O ATOM 0 H GLU A 24 1.735 5.661 -5.759 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.944 4.752 -5.872 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.068 6.887 -6.754 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.969 6.027 -7.874 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.047 5.125 -9.062 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.094 5.959 -7.932 1.00 27.76 H new ATOM 387 N ASN A 25 1.156 2.984 -7.675 1.00 9.43 N ATOM 388 CA ASN A 25 1.321 1.707 -8.318 1.00 10.96 C ATOM 389 C ASN A 25 1.385 0.463 -7.430 1.00 9.68 C ATOM 390 O ASN A 25 1.074 -0.658 -7.894 1.00 9.33 O ATOM 391 CB ASN A 25 2.627 1.801 -9.150 1.00 16.78 C ATOM 392 CG ASN A 25 2.356 2.864 -10.228 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.255 3.298 -10.504 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.446 3.311 -10.832 1.00 24.70 N ATOM 0 H ASN A 25 2.019 3.523 -7.611 1.00 9.43 H new ATOM 0 HA ASN A 25 0.412 1.548 -8.898 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.472 2.086 -8.523 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.874 0.840 -9.601 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.373 4.035 -11.546 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.359 2.931 -10.583 1.00 24.70 H new ATOM 401 N VAL A 26 1.648 0.654 -6.110 1.00 6.52 N ATOM 402 CA VAL A 26 1.344 -0.329 -5.080 1.00 5.53 C ATOM 403 C VAL A 26 -0.154 -0.664 -5.063 1.00 4.42 C ATOM 404 O VAL A 26 -0.619 -1.779 -4.855 1.00 3.40 O ATOM 405 CB VAL A 26 1.909 0.204 -3.699 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.444 -0.687 -2.512 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.501 0.165 -3.707 1.00 8.12 C ATOM 0 H VAL A 26 2.079 1.504 -5.747 1.00 6.52 H new ATOM 0 HA VAL A 26 1.835 -1.279 -5.290 1.00 5.53 H new ATOM 0 HB VAL A 26 1.534 1.220 -3.576 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.850 -0.293 -1.580 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.355 -0.688 -2.462 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.801 -1.706 -2.660 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.879 0.533 -2.753 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.839 -0.860 -3.860 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.876 0.795 -4.514 1.00 8.12 H new ATOM 417 N LYS A 27 -0.931 0.395 -5.205 1.00 2.64 N ATOM 418 CA LYS A 27 -2.360 0.297 -5.091 1.00 4.14 C ATOM 419 C LYS A 27 -3.036 -0.459 -6.228 1.00 5.58 C ATOM 420 O LYS A 27 -4.079 -1.072 -6.070 1.00 4.11 O ATOM 421 CB LYS A 27 -3.127 1.594 -4.781 1.00 3.97 C ATOM 422 CG LYS A 27 -2.614 2.262 -3.447 1.00 7.45 C ATOM 423 CD LYS A 27 -3.177 3.606 -2.976 1.00 9.02 C ATOM 424 CE LYS A 27 -2.581 4.849 -3.613 1.00 12.90 C ATOM 425 NZ LYS A 27 -2.970 6.035 -2.854 1.00 15.47 N ATOM 0 H LYS A 27 -0.586 1.335 -5.401 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.436 -0.305 -4.186 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.010 2.294 -5.608 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.192 1.377 -4.695 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.784 1.545 -2.644 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.535 2.383 -3.544 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.251 3.610 -3.160 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.038 3.675 -1.897 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.495 4.767 -3.643 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.923 4.939 -4.644 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.782 6.887 -3.420 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.984 5.986 -2.629 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.421 6.078 -1.972 1.00 15.47 H new ATOM 439 N ALA A 28 -2.366 -0.440 -7.368 1.00 6.61 N ATOM 440 CA ALA A 28 -2.675 -1.161 -8.501 1.00 7.74 C ATOM 441 C ALA A 28 -2.458 -2.667 -8.294 1.00 9.17 C ATOM 442 O ALA A 28 -3.289 -3.516 -8.721 1.00 11.45 O ATOM 443 CB ALA A 28 -1.955 -0.605 -9.777 1.00 7.68 C ATOM 0 H ALA A 28 -1.535 0.138 -7.491 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.741 -1.028 -8.685 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.231 -1.207 -10.642 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.257 0.429 -9.943 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.875 -0.649 -9.634 1.00 7.68 H new ATOM 449 N LYS A 29 -1.388 -2.990 -7.484 1.00 8.96 N ATOM 450 CA LYS A 29 -1.085 -4.382 -7.194 1.00 7.90 C ATOM 451 C LYS A 29 -2.007 -4.918 -6.032 1.00 6.92 C ATOM 452 O LYS A 29 -2.395 -6.066 -6.040 1.00 6.87 O ATOM 453 CB LYS A 29 0.355 -4.512 -6.667 1.00 10.28 C ATOM 454 CG LYS A 29 1.445 -4.062 -7.707 1.00 14.94 C ATOM 455 CD LYS A 29 2.821 -3.802 -7.011 1.00 19.69 C ATOM 456 CE LYS A 29 3.995 -3.477 -7.891 1.00 22.63 C ATOM 457 NZ LYS A 29 4.315 -4.648 -8.660 1.00 24.98 N ATOM 0 H LYS A 29 -0.762 -2.311 -7.051 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.235 -4.942 -8.117 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.458 -3.913 -5.762 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.539 -5.549 -6.386 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.561 -4.831 -8.471 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.115 -3.156 -8.214 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.691 -2.980 -6.307 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.074 -4.686 -6.426 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.757 -2.642 -8.550 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.850 -3.173 -7.288 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.127 -4.446 -9.278 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.555 -5.430 -8.018 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.495 -4.916 -9.241 1.00 24.98 H new ATOM 471 N ILE A 30 -2.499 -4.040 -5.133 1.00 4.57 N ATOM 472 CA ILE A 30 -3.640 -4.416 -4.221 1.00 5.58 C ATOM 473 C ILE A 30 -4.898 -4.669 -5.033 1.00 7.26 C ATOM 474 O ILE A 30 -5.630 -5.626 -4.748 1.00 9.46 O ATOM 475 CB ILE A 30 -3.798 -3.399 -3.116 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.471 -3.553 -2.301 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.966 -3.915 -2.283 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.352 -2.553 -1.151 1.00 2.00 C ATOM 0 H ILE A 30 -2.149 -3.090 -5.007 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.421 -5.356 -3.714 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.971 -2.369 -3.427 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.413 -4.565 -1.901 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.622 -3.427 -2.973 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.151 -3.233 -1.453 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.858 -3.978 -2.907 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.726 -4.904 -1.893 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.410 -2.713 -0.626 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.379 -1.538 -1.547 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.182 -2.694 -0.459 1.00 2.00 H new ATOM 490 N GLN A 31 -5.185 -3.872 -6.086 1.00 7.06 N ATOM 491 CA GLN A 31 -6.390 -3.933 -6.795 1.00 8.67 C ATOM 492 C GLN A 31 -6.434 -5.107 -7.666 1.00 10.90 C ATOM 493 O GLN A 31 -7.508 -5.762 -7.821 1.00 9.63 O ATOM 494 CB GLN A 31 -6.599 -2.647 -7.656 1.00 9.12 C ATOM 495 CG GLN A 31 -7.854 -2.724 -8.547 1.00 10.76 C ATOM 496 CD GLN A 31 -8.101 -1.450 -9.329 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.029 -0.673 -9.142 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.196 -1.212 -10.281 1.00 14.76 N ATOM 0 H GLN A 31 -4.540 -3.166 -6.440 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.191 -4.007 -6.059 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.679 -1.783 -6.997 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.722 -2.489 -8.284 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.749 -3.557 -9.243 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.723 -2.936 -7.924 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.427 -1.866 -10.428 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.274 -0.377 -10.861 1.00 14.76 H new ATOM 507 N ASP A 32 -5.313 -5.423 -8.359 1.00 10.93 N ATOM 508 CA ASP A 32 -5.152 -6.587 -9.213 1.00 14.01 C ATOM 509 C ASP A 32 -5.462 -7.876 -8.365 1.00 14.04 C ATOM 510 O ASP A 32 -6.224 -8.691 -8.828 1.00 13.39 O ATOM 511 CB ASP A 32 -3.709 -6.647 -9.785 1.00 18.01 C ATOM 512 CG ASP A 32 -3.623 -7.658 -10.860 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.390 -7.540 -11.843 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.964 -8.719 -10.697 1.00 25.17 O ATOM 0 H ASP A 32 -4.475 -4.842 -8.326 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.841 -6.524 -10.055 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.424 -5.669 -10.173 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.005 -6.892 -8.989 1.00 18.01 H new ATOM 519 N LYS A 33 -4.888 -7.993 -7.169 1.00 14.22 N ATOM 520 CA LYS A 33 -4.962 -9.148 -6.269 1.00 14.00 C ATOM 521 C LYS A 33 -6.394 -9.239 -5.634 1.00 12.37 C ATOM 522 O LYS A 33 -7.075 -10.269 -5.743 1.00 12.17 O ATOM 523 CB LYS A 33 -3.705 -9.164 -5.288 1.00 18.62 C ATOM 524 CG LYS A 33 -3.576 -10.507 -4.637 1.00 24.00 C ATOM 525 CD LYS A 33 -2.393 -10.517 -3.645 1.00 27.61 C ATOM 526 CE LYS A 33 -1.810 -11.896 -3.296 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.308 -12.643 -4.422 1.00 30.06 N ATOM 0 H LYS A 33 -4.324 -7.239 -6.776 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.865 -10.094 -6.802 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.797 -8.932 -5.845 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.818 -8.392 -4.527 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.499 -10.754 -4.113 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.427 -11.273 -5.398 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.594 -9.902 -4.059 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.717 -10.038 -2.721 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.001 -11.762 -2.578 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.581 -12.486 -2.801 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.800 -13.484 -4.082 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.102 -12.938 -5.025 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.659 -12.046 -4.973 1.00 30.06 H new ATOM 541 N GLU A 34 -6.863 -8.132 -5.039 1.00 10.11 N ATOM 542 CA GLU A 34 -8.042 -8.172 -4.161 1.00 10.07 C ATOM 543 C GLU A 34 -9.246 -7.339 -4.598 1.00 9.32 C ATOM 544 O GLU A 34 -10.291 -7.320 -3.906 1.00 11.61 O ATOM 545 CB GLU A 34 -7.661 -7.546 -2.774 1.00 14.77 C ATOM 546 CG GLU A 34 -6.977 -8.517 -1.886 1.00 18.75 C ATOM 547 CD GLU A 34 -7.900 -9.583 -1.280 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.842 -9.188 -0.553 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.556 -10.804 -1.399 1.00 21.95 O ATOM 0 H GLU A 34 -6.449 -7.206 -5.148 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.320 -9.226 -4.162 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.013 -6.684 -2.933 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.563 -7.181 -2.283 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.189 -9.015 -2.451 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.492 -7.971 -1.077 1.00 18.75 H new ATOM 556 N GLY A 35 -9.220 -6.673 -5.761 1.00 7.22 N ATOM 557 CA GLY A 35 -10.493 -6.140 -6.252 1.00 6.29 C ATOM 558 C GLY A 35 -10.801 -4.747 -5.776 1.00 6.93 C ATOM 559 O GLY A 35 -11.846 -4.199 -6.132 1.00 7.41 O ATOM 0 H GLY A 35 -8.398 -6.500 -6.340 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.480 -6.145 -7.342 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.298 -6.805 -5.939 1.00 6.29 H new ATOM 563 N ILE A 36 -9.921 -4.144 -4.974 1.00 5.86 N ATOM 564 CA ILE A 36 -10.243 -2.883 -4.269 1.00 6.07 C ATOM 565 C ILE A 36 -9.876 -1.614 -4.990 1.00 6.36 C ATOM 566 O ILE A 36 -8.736 -1.542 -5.502 1.00 6.18 O ATOM 567 CB ILE A 36 -9.433 -2.842 -2.931 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.474 -4.140 -2.106 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.136 -1.741 -2.079 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.593 -4.335 -0.855 1.00 9.49 C ATOM 0 H ILE A 36 -8.982 -4.499 -4.791 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.327 -2.902 -4.158 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.384 -2.669 -3.171 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.507 -4.280 -1.789 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.237 -4.956 -2.789 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.630 -1.645 -1.119 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.093 -0.789 -2.608 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.177 -2.018 -1.914 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.781 -5.320 -0.428 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.542 -4.255 -1.134 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.833 -3.568 -0.118 1.00 9.49 H new ATOM 582 N PRO A 37 -10.728 -0.629 -5.199 1.00 8.65 N ATOM 583 CA PRO A 37 -10.312 0.534 -5.976 1.00 9.18 C ATOM 584 C PRO A 37 -9.212 1.425 -5.283 1.00 9.85 C ATOM 585 O PRO A 37 -9.421 1.600 -4.127 1.00 8.51 O ATOM 586 CB PRO A 37 -11.691 1.251 -6.208 1.00 11.42 C ATOM 587 CG PRO A 37 -12.780 0.159 -6.177 1.00 9.27 C ATOM 588 CD PRO A 37 -12.173 -0.821 -5.169 1.00 8.33 C ATOM 0 HA PRO A 37 -9.791 0.282 -6.900 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.872 1.998 -5.435 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.697 1.774 -7.164 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.744 0.546 -5.848 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.936 -0.297 -7.155 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.565 -0.637 -4.169 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.430 -1.848 -5.428 1.00 8.33 H new ATOM 596 N PRO A 38 -8.170 1.954 -5.885 1.00 8.71 N ATOM 597 CA PRO A 38 -7.175 2.815 -5.217 1.00 9.08 C ATOM 598 C PRO A 38 -7.793 3.967 -4.464 1.00 9.28 C ATOM 599 O PRO A 38 -7.344 4.203 -3.378 1.00 6.50 O ATOM 600 CB PRO A 38 -6.321 3.207 -6.423 1.00 10.31 C ATOM 601 CG PRO A 38 -6.229 1.910 -7.211 1.00 10.81 C ATOM 602 CD PRO A 38 -7.684 1.391 -7.120 1.00 12.00 C ATOM 0 HA PRO A 38 -6.607 2.343 -4.415 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.786 4.002 -7.006 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.337 3.567 -6.121 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.917 2.077 -8.242 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.516 1.212 -6.771 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.280 1.719 -7.972 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.721 0.302 -7.106 1.00 12.00 H new ATOM 610 N ASP A 39 -8.901 4.537 -4.956 1.00 11.20 N ATOM 611 CA ASP A 39 -9.686 5.560 -4.269 1.00 14.96 C ATOM 612 C ASP A 39 -10.681 4.963 -3.192 1.00 13.99 C ATOM 613 O ASP A 39 -11.579 5.622 -2.644 1.00 13.75 O ATOM 614 CB ASP A 39 -10.432 6.312 -5.375 1.00 24.16 C ATOM 615 CG ASP A 39 -9.578 7.113 -6.259 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.864 8.004 -5.694 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.643 6.992 -7.507 1.00 35.55 O ATOM 0 H ASP A 39 -9.283 4.289 -5.869 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.036 6.219 -3.693 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.980 5.590 -5.980 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.171 6.968 -4.914 1.00 24.16 H new ATOM 622 N GLN A 40 -10.620 3.619 -2.862 1.00 11.60 N ATOM 623 CA GLN A 40 -11.174 3.042 -1.642 1.00 10.76 C ATOM 624 C GLN A 40 -10.082 2.511 -0.786 1.00 8.01 C ATOM 625 O GLN A 40 -10.292 1.932 0.265 1.00 8.96 O ATOM 626 CB GLN A 40 -12.056 1.823 -1.920 1.00 11.14 C ATOM 627 CG GLN A 40 -13.433 2.286 -2.293 1.00 14.85 C ATOM 628 CD GLN A 40 -14.419 1.195 -2.202 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.480 0.161 -2.879 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.395 1.361 -1.231 1.00 18.16 N ATOM 0 H GLN A 40 -10.173 2.927 -3.464 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.744 3.845 -1.174 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.629 1.226 -2.726 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.101 1.183 -1.039 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.733 3.103 -1.636 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.421 2.682 -3.309 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.393 2.195 -0.643 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.115 0.649 -1.104 1.00 18.16 H new ATOM 639 N GLN A 41 -8.842 2.758 -1.217 1.00 6.52 N ATOM 640 CA GLN A 41 -7.623 2.385 -0.507 1.00 3.87 C ATOM 641 C GLN A 41 -6.896 3.530 0.049 1.00 4.79 C ATOM 642 O GLN A 41 -6.813 4.678 -0.462 1.00 6.34 O ATOM 643 CB GLN A 41 -6.518 1.650 -1.399 1.00 4.20 C ATOM 644 CG GLN A 41 -7.003 0.393 -2.053 1.00 3.20 C ATOM 645 CD GLN A 41 -5.897 -0.317 -2.951 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.739 -0.277 -2.547 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.246 -0.926 -4.120 1.00 7.13 N ATOM 0 H GLN A 41 -8.657 3.238 -2.098 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.027 1.722 0.258 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.171 2.338 -2.170 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.658 1.413 -0.772 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.338 -0.303 -1.284 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.870 0.625 -2.672 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.221 -0.936 -4.419 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.532 -1.372 -4.696 1.00 7.13 H new ATOM 656 N ARG A 42 -6.260 3.256 1.221 1.00 5.73 N ATOM 657 CA ARG A 42 -5.527 4.181 2.054 1.00 6.97 C ATOM 658 C ARG A 42 -4.417 3.330 2.663 1.00 7.15 C ATOM 659 O ARG A 42 -4.627 2.212 3.047 1.00 7.33 O ATOM 660 CB ARG A 42 -6.235 4.925 3.124 1.00 13.23 C ATOM 661 CG ARG A 42 -7.200 5.978 2.462 1.00 21.27 C ATOM 662 CD ARG A 42 -7.602 7.046 3.502 1.00 26.14 C ATOM 663 NE ARG A 42 -8.089 8.242 2.695 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.213 8.936 2.982 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.153 8.397 3.731 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.507 10.090 2.348 1.00 36.39 N ATOM 0 H ARG A 42 -6.261 2.314 1.612 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.222 5.006 1.410 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.802 4.236 3.750 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.517 5.427 3.772 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.708 6.452 1.612 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.089 5.479 2.078 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.385 6.674 4.163 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.755 7.317 4.132 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.535 8.537 1.891 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.034 7.452 4.097 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.999 8.924 3.945 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.875 10.456 1.636 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.361 10.597 2.581 1.00 36.39 H new ATOM 680 N LEU A 43 -3.171 3.854 2.764 1.00 4.65 N ATOM 681 CA LEU A 43 -2.025 3.057 3.216 1.00 3.51 C ATOM 682 C LEU A 43 -1.178 3.638 4.350 1.00 5.56 C ATOM 683 O LEU A 43 -0.805 4.826 4.397 1.00 4.19 O ATOM 684 CB LEU A 43 -1.055 2.863 1.992 1.00 3.74 C ATOM 685 CG LEU A 43 -1.518 1.887 0.935 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.547 1.848 -0.255 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.661 0.412 1.501 1.00 6.41 C ATOM 0 H LEU A 43 -2.944 4.822 2.537 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.469 2.143 3.610 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.897 3.833 1.520 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.088 2.530 2.368 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.496 2.244 0.610 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.909 1.136 -0.997 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.482 2.839 -0.704 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.440 1.541 0.091 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.996 -0.252 0.705 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.696 0.071 1.876 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.389 0.402 2.312 1.00 6.41 H new ATOM 699 N ILE A 44 -1.034 2.854 5.397 1.00 4.58 N ATOM 700 CA ILE A 44 -0.444 3.226 6.672 1.00 5.55 C ATOM 701 C ILE A 44 0.837 2.352 6.825 1.00 5.46 C ATOM 702 O ILE A 44 0.762 1.152 6.903 1.00 6.04 O ATOM 703 CB ILE A 44 -1.435 3.080 7.843 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.869 3.635 7.489 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.809 3.753 9.083 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.931 5.203 7.486 1.00 13.90 C ATOM 0 H ILE A 44 -1.343 1.882 5.383 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.181 4.283 6.694 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.602 2.025 8.059 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.166 3.262 6.509 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.591 3.249 8.209 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.491 3.664 9.929 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.135 3.264 9.325 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.628 4.807 8.872 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.941 5.527 7.236 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.663 5.580 8.473 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.232 5.593 6.747 1.00 13.90 H new ATOM 718 N PHE A 45 1.983 2.952 7.031 1.00 6.75 N ATOM 719 CA PHE A 45 3.175 2.248 7.434 1.00 4.70 C ATOM 720 C PHE A 45 4.026 3.178 8.233 1.00 6.34 C ATOM 721 O PHE A 45 4.152 4.316 7.801 1.00 5.45 O ATOM 722 CB PHE A 45 3.922 1.714 6.173 1.00 5.51 C ATOM 723 CG PHE A 45 5.368 1.240 6.476 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.559 -0.031 7.079 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.460 2.055 6.131 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.845 -0.453 7.354 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.750 1.702 6.526 1.00 6.64 C ATOM 728 CZ PHE A 45 7.950 0.407 7.084 1.00 6.84 C ATOM 0 H PHE A 45 2.116 3.957 6.922 1.00 6.75 H new ATOM 0 HA PHE A 45 2.926 1.386 8.053 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.356 0.885 5.747 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.954 2.499 5.418 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.713 -0.658 7.319 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.300 2.957 5.559 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.014 -1.434 7.773 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.574 2.391 6.412 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.952 0.072 7.306 1.00 6.84 H new ATOM 738 N ALA A 46 4.575 2.782 9.421 1.00 6.53 N ATOM 739 CA ALA A 46 5.495 3.552 10.276 1.00 7.15 C ATOM 740 C ALA A 46 4.824 4.868 10.809 1.00 9.00 C ATOM 741 O ALA A 46 5.279 6.003 10.707 1.00 11.15 O ATOM 742 CB ALA A 46 6.918 3.690 9.707 1.00 8.99 C ATOM 0 H ALA A 46 4.368 1.865 9.817 1.00 6.53 H new ATOM 0 HA ALA A 46 5.681 2.958 11.171 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.531 4.270 10.397 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.355 2.700 9.577 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.877 4.198 8.743 1.00 8.99 H new ATOM 748 N GLY A 47 3.527 4.715 11.185 1.00 9.35 N ATOM 749 CA GLY A 47 2.531 5.707 11.663 1.00 11.68 C ATOM 750 C GLY A 47 2.069 6.728 10.634 1.00 11.14 C ATOM 751 O GLY A 47 1.156 7.546 10.908 1.00 13.93 O ATOM 0 H GLY A 47 3.108 3.786 11.157 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.657 5.169 12.031 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.957 6.242 12.512 1.00 11.68 H new ATOM 755 N LYS A 48 2.679 6.721 9.435 1.00 10.47 N ATOM 756 CA LYS A 48 2.547 7.765 8.385 1.00 8.82 C ATOM 757 C LYS A 48 1.571 7.294 7.265 1.00 7.68 C ATOM 758 O LYS A 48 1.513 6.078 7.057 1.00 6.47 O ATOM 759 CB LYS A 48 3.827 8.187 7.622 1.00 9.74 C ATOM 760 CG LYS A 48 4.895 8.798 8.513 1.00 14.14 C ATOM 761 CD LYS A 48 6.127 9.046 7.613 1.00 16.32 C ATOM 762 CE LYS A 48 7.183 9.902 8.350 1.00 20.04 C ATOM 763 NZ LYS A 48 8.236 10.352 7.451 1.00 23.92 N ATOM 0 H LYS A 48 3.302 5.964 9.154 1.00 10.47 H new ATOM 0 HA LYS A 48 2.210 8.618 8.974 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.243 7.315 7.117 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.558 8.905 6.848 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.544 9.730 8.956 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.144 8.128 9.336 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.566 8.093 7.319 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.818 9.550 6.697 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.698 10.766 8.804 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.621 9.320 9.161 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.925 10.923 7.981 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.715 9.527 7.037 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.821 10.928 6.691 1.00 23.92 H new ATOM 777 N GLN A 49 0.925 8.232 6.592 1.00 8.89 N ATOM 778 CA GLN A 49 0.099 7.843 5.435 1.00 7.18 C ATOM 779 C GLN A 49 0.873 7.988 4.197 1.00 8.23 C ATOM 780 O GLN A 49 1.481 9.039 4.014 1.00 9.70 O ATOM 781 CB GLN A 49 -1.185 8.670 5.532 1.00 11.67 C ATOM 782 CG GLN A 49 -0.987 10.185 5.275 1.00 15.82 C ATOM 783 CD GLN A 49 -2.352 10.786 4.887 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.400 10.208 5.175 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.359 11.989 4.255 1.00 20.67 N ATOM 0 H GLN A 49 0.945 9.229 6.805 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.191 6.792 5.430 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.908 8.283 4.814 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.617 8.535 6.524 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.595 10.674 6.167 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.260 10.344 4.478 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.478 12.450 4.026 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.245 12.431 4.010 1.00 20.67 H new ATOM 794 N LEU A 50 0.864 7.003 3.334 1.00 6.51 N ATOM 795 CA LEU A 50 1.692 6.931 2.173 1.00 7.41 C ATOM 796 C LEU A 50 1.137 7.638 0.929 1.00 8.27 C ATOM 797 O LEU A 50 0.058 7.449 0.451 1.00 8.34 O ATOM 798 CB LEU A 50 2.123 5.468 1.894 1.00 7.13 C ATOM 799 CG LEU A 50 3.047 4.711 2.823 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.853 4.996 4.325 1.00 8.14 C ATOM 801 CD2 LEU A 50 2.976 3.223 2.606 1.00 9.11 C ATOM 0 H LEU A 50 0.248 6.196 3.433 1.00 6.51 H new ATOM 0 HA LEU A 50 2.583 7.512 2.411 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.208 4.881 1.815 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.592 5.461 0.910 1.00 7.13 H new ATOM 0 HG LEU A 50 4.031 5.092 2.551 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.563 4.404 4.902 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.021 6.055 4.519 1.00 8.14 H new ATOM 0 HD13 LEU A 50 1.837 4.731 4.617 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.656 2.722 3.295 1.00 9.11 H new ATOM 0 HD22 LEU A 50 1.958 2.877 2.785 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.263 2.991 1.580 1.00 9.11 H new ATOM 813 N GLU A 51 1.991 8.533 0.472 1.00 9.43 N ATOM 814 CA GLU A 51 1.656 9.429 -0.621 1.00 11.90 C ATOM 815 C GLU A 51 1.929 8.904 -2.012 1.00 11.49 C ATOM 816 O GLU A 51 3.001 8.351 -2.278 1.00 9.88 O ATOM 817 CB GLU A 51 2.360 10.735 -0.493 1.00 16.56 C ATOM 818 CG GLU A 51 1.950 11.601 0.714 1.00 26.06 C ATOM 819 CD GLU A 51 2.972 12.747 0.920 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.855 12.903 0.025 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.751 13.492 1.901 1.00 33.44 O ATOM 0 H GLU A 51 2.932 8.660 0.844 1.00 9.43 H new ATOM 0 HA GLU A 51 0.576 9.536 -0.521 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.432 10.545 -0.433 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.189 11.309 -1.403 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.955 12.016 0.552 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.897 10.985 1.612 1.00 26.06 H new ATOM 828 N ASP A 52 0.989 9.194 -2.910 1.00 12.71 N ATOM 829 CA ASP A 52 0.801 8.616 -4.222 1.00 16.56 C ATOM 830 C ASP A 52 2.012 8.559 -5.140 1.00 15.83 C ATOM 831 O ASP A 52 2.405 7.475 -5.604 1.00 17.21 O ATOM 832 CB ASP A 52 -0.325 9.383 -5.024 1.00 21.05 C ATOM 833 CG ASP A 52 -1.601 9.307 -4.219 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.110 8.206 -4.156 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.151 10.312 -3.690 1.00 25.82 O ATOM 0 H ASP A 52 0.282 9.902 -2.712 1.00 12.71 H new ATOM 0 HA ASP A 52 0.541 7.587 -3.975 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.038 10.422 -5.186 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.467 8.934 -6.007 1.00 21.05 H new ATOM 840 N GLY A 53 2.723 9.726 -5.255 1.00 15.00 N ATOM 841 CA GLY A 53 3.973 9.886 -6.003 1.00 11.77 C ATOM 842 C GLY A 53 5.242 9.409 -5.437 1.00 11.10 C ATOM 843 O GLY A 53 6.260 9.458 -6.081 1.00 11.25 O ATOM 0 H GLY A 53 2.417 10.592 -4.811 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.840 9.388 -6.963 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.091 10.950 -6.210 1.00 11.77 H new ATOM 847 N ARG A 54 5.284 9.125 -4.157 1.00 8.53 N ATOM 848 CA ARG A 54 6.504 8.666 -3.483 1.00 9.05 C ATOM 849 C ARG A 54 6.839 7.261 -3.791 1.00 8.96 C ATOM 850 O ARG A 54 5.923 6.488 -4.025 1.00 11.60 O ATOM 851 CB ARG A 54 6.512 8.938 -1.916 1.00 7.97 C ATOM 852 CG ARG A 54 5.986 10.293 -1.488 1.00 9.62 C ATOM 853 CD ARG A 54 6.850 11.403 -2.064 1.00 12.20 C ATOM 854 NE ARG A 54 6.158 12.670 -1.685 1.00 18.23 N ATOM 855 CZ ARG A 54 6.768 13.869 -1.512 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.970 14.198 -2.012 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.113 14.842 -0.849 1.00 23.38 N ATOM 0 H ARG A 54 4.476 9.202 -3.539 1.00 8.53 H new ATOM 0 HA ARG A 54 7.297 9.285 -3.903 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.918 8.166 -1.427 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.534 8.832 -1.551 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.956 10.413 -1.825 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.976 10.359 -0.400 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.860 11.368 -1.656 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.940 11.311 -3.146 1.00 12.20 H new ATOM 0 HE ARG A 54 5.148 12.631 -1.545 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.493 13.522 -2.568 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.360 15.124 -1.835 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.175 14.670 -0.487 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.555 15.750 -0.709 1.00 23.38 H new ATOM 871 N THR A 55 8.112 6.893 -3.774 1.00 9.05 N ATOM 872 CA THR A 55 8.515 5.505 -3.951 1.00 9.03 C ATOM 873 C THR A 55 8.683 4.749 -2.652 1.00 8.15 C ATOM 874 O THR A 55 8.677 5.272 -1.553 1.00 5.91 O ATOM 875 CB THR A 55 9.762 5.345 -4.770 1.00 11.15 C ATOM 876 OG1 THR A 55 10.967 5.664 -4.089 1.00 11.95 O ATOM 877 CG2 THR A 55 9.739 6.334 -5.894 1.00 11.71 C ATOM 0 H THR A 55 8.888 7.541 -3.639 1.00 9.05 H new ATOM 0 HA THR A 55 7.679 5.069 -4.497 1.00 9.03 H new ATOM 0 HB THR A 55 9.760 4.295 -5.061 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.067 6.638 -4.039 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.642 6.224 -6.494 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.864 6.154 -6.519 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.694 7.345 -5.488 1.00 11.71 H new ATOM 885 N LEU A 56 8.956 3.429 -2.765 1.00 6.91 N ATOM 886 CA LEU A 56 9.161 2.564 -1.617 1.00 8.29 C ATOM 887 C LEU A 56 10.465 2.847 -0.886 1.00 8.05 C ATOM 888 O LEU A 56 10.576 2.862 0.356 1.00 10.17 O ATOM 889 CB LEU A 56 9.204 1.099 -2.066 1.00 6.60 C ATOM 890 CG LEU A 56 7.861 0.400 -2.030 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.080 0.729 -3.328 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.026 -1.156 -1.841 1.00 8.64 C ATOM 0 H LEU A 56 9.037 2.949 -3.661 1.00 6.91 H new ATOM 0 HA LEU A 56 8.328 2.759 -0.942 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.598 1.053 -3.081 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.901 0.555 -1.429 1.00 6.60 H new ATOM 0 HG LEU A 56 7.296 0.763 -1.171 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.112 0.228 -3.307 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.930 1.806 -3.399 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.648 0.384 -4.192 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.043 -1.626 -1.820 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.605 -1.564 -2.669 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.544 -1.356 -0.903 1.00 8.64 H new ATOM 904 N SER A 57 11.513 3.210 -1.648 1.00 8.92 N ATOM 905 CA SER A 57 12.827 3.648 -1.144 1.00 9.00 C ATOM 906 C SER A 57 12.739 4.893 -0.301 1.00 9.44 C ATOM 907 O SER A 57 13.471 4.985 0.688 1.00 10.91 O ATOM 908 CB SER A 57 13.925 3.818 -2.233 1.00 10.32 C ATOM 909 OG SER A 57 15.187 4.109 -1.665 1.00 13.59 O ATOM 0 H SER A 57 11.466 3.206 -2.667 1.00 8.92 H new ATOM 0 HA SER A 57 13.145 2.816 -0.516 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.994 2.905 -2.825 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.640 4.619 -2.915 1.00 10.32 H new ATOM 0 HG SER A 57 15.852 4.208 -2.378 1.00 13.59 H new ATOM 915 N ASP A 58 11.866 5.832 -0.631 1.00 9.11 N ATOM 916 CA ASP A 58 11.665 7.054 0.050 1.00 7.91 C ATOM 917 C ASP A 58 11.054 6.772 1.401 1.00 9.12 C ATOM 918 O ASP A 58 11.197 7.519 2.352 1.00 8.61 O ATOM 919 CB ASP A 58 10.591 7.888 -0.711 1.00 8.41 C ATOM 920 CG ASP A 58 11.145 8.431 -2.074 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.171 9.143 -2.051 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.573 8.072 -3.140 1.00 11.70 O ATOM 0 H ASP A 58 11.250 5.732 -1.438 1.00 9.11 H new ATOM 0 HA ASP A 58 12.621 7.572 0.125 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.712 7.270 -0.895 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.269 8.723 -0.089 1.00 8.41 H new ATOM 927 N TYR A 59 10.346 5.733 1.613 1.00 7.97 N ATOM 928 CA TYR A 59 9.810 5.351 2.921 1.00 8.45 C ATOM 929 C TYR A 59 10.703 4.356 3.614 1.00 10.98 C ATOM 930 O TYR A 59 10.417 3.975 4.763 1.00 12.95 O ATOM 931 CB TYR A 59 8.389 4.752 2.837 1.00 7.94 C ATOM 932 CG TYR A 59 7.300 5.788 2.561 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.925 6.683 3.573 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.598 5.943 1.325 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.006 7.707 3.320 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.710 6.957 1.097 1.00 6.52 C ATOM 937 CZ TYR A 59 5.376 7.824 2.060 1.00 6.76 C ATOM 938 OH TYR A 59 4.499 8.878 1.798 1.00 7.63 O ATOM 0 H TYR A 59 10.096 5.079 0.871 1.00 7.97 H new ATOM 0 HA TYR A 59 9.764 6.277 3.494 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.368 3.998 2.050 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.164 4.242 3.773 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.351 6.581 4.560 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.777 5.227 0.536 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.774 8.419 4.099 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.268 7.061 0.117 1.00 6.52 H new ATOM 0 HH TYR A 59 5.000 9.637 1.432 1.00 7.63 H new ATOM 948 N ASN A 60 11.873 3.946 3.025 1.00 12.38 N ATOM 949 CA ASN A 60 12.906 3.054 3.479 1.00 13.94 C ATOM 950 C ASN A 60 12.291 1.650 3.636 1.00 14.16 C ATOM 951 O ASN A 60 12.635 0.938 4.565 1.00 14.26 O ATOM 952 CB ASN A 60 13.604 3.569 4.738 1.00 19.23 C ATOM 953 CG ASN A 60 14.003 5.023 4.719 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.418 5.871 5.433 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.006 5.425 3.939 1.00 24.09 N ATOM 0 H ASN A 60 12.109 4.303 2.099 1.00 12.38 H new ATOM 0 HA ASN A 60 13.706 2.999 2.741 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.944 3.404 5.590 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.498 2.969 4.906 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.284 6.406 3.931 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.496 4.751 3.350 1.00 24.09 H new ATOM 962 N ILE A 61 11.467 1.182 2.727 1.00 11.08 N ATOM 963 CA ILE A 61 10.719 -0.085 2.755 1.00 11.78 C ATOM 964 C ILE A 61 11.692 -1.013 1.996 1.00 13.74 C ATOM 965 O ILE A 61 12.195 -0.725 0.889 1.00 14.60 O ATOM 966 CB ILE A 61 9.316 -0.049 2.076 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.439 0.966 2.812 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.673 -1.449 2.020 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.209 1.414 1.953 1.00 11.42 C ATOM 0 H ILE A 61 11.277 1.709 1.874 1.00 11.08 H new ATOM 0 HA ILE A 61 10.463 -0.389 3.770 1.00 11.78 H new ATOM 0 HB ILE A 61 9.423 0.267 1.038 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.088 0.530 3.747 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.037 1.840 3.072 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.697 -1.382 1.540 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.313 -2.121 1.448 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.554 -1.835 3.032 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.615 2.134 2.516 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.559 1.875 1.029 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.595 0.545 1.715 1.00 11.42 H new ATOM 981 N GLN A 62 11.886 -2.170 2.696 1.00 13.97 N ATOM 982 CA GLN A 62 12.863 -3.151 2.452 1.00 15.52 C ATOM 983 C GLN A 62 12.183 -4.496 2.501 1.00 13.94 C ATOM 984 O GLN A 62 11.057 -4.637 2.952 1.00 12.15 O ATOM 985 CB GLN A 62 14.025 -3.130 3.516 1.00 19.53 C ATOM 986 CG GLN A 62 13.498 -3.129 5.012 1.00 26.38 C ATOM 987 CD GLN A 62 14.673 -2.960 5.971 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.186 -1.868 6.205 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.113 -4.072 6.564 1.00 32.71 N ATOM 0 H GLN A 62 11.296 -2.411 3.492 1.00 13.97 H new ATOM 0 HA GLN A 62 13.314 -2.952 1.480 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.665 -3.999 3.363 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.642 -2.246 3.354 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.781 -2.321 5.155 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.974 -4.061 5.224 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.674 -4.969 6.356 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.889 -4.025 7.225 1.00 32.71 H new ATOM 998 N LYS A 63 12.841 -5.549 1.959 1.00 11.73 N ATOM 999 CA LYS A 63 12.224 -6.820 1.697 1.00 11.97 C ATOM 1000 C LYS A 63 11.585 -7.514 2.928 1.00 10.41 C ATOM 1001 O LYS A 63 12.021 -7.460 4.053 1.00 9.59 O ATOM 1002 CB LYS A 63 13.206 -7.763 0.938 1.00 13.73 C ATOM 1003 CG LYS A 63 14.477 -8.244 1.660 1.00 16.98 C ATOM 1004 CD LYS A 63 15.359 -9.041 0.673 1.00 20.19 C ATOM 1005 CE LYS A 63 16.818 -9.232 1.137 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.619 -8.004 0.953 1.00 25.97 N ATOM 0 H LYS A 63 13.826 -5.513 1.697 1.00 11.73 H new ATOM 0 HA LYS A 63 11.372 -6.599 1.054 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.646 -8.646 0.632 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.517 -7.252 0.027 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.031 -7.391 2.052 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.210 -8.869 2.512 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.910 -10.021 0.513 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.360 -8.529 -0.290 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.830 -9.519 2.188 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.273 -10.050 0.578 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.593 -8.173 1.276 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.629 -7.744 -0.054 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.200 -7.230 1.507 1.00 25.97 H new ATOM 1020 N GLU A 64 10.415 -8.126 2.670 1.00 10.04 N ATOM 1021 CA GLU A 64 9.693 -8.913 3.638 1.00 10.94 C ATOM 1022 C GLU A 64 9.137 -8.030 4.783 1.00 9.74 C ATOM 1023 O GLU A 64 8.825 -8.494 5.871 1.00 9.42 O ATOM 1024 CB GLU A 64 10.436 -10.134 4.207 1.00 18.31 C ATOM 1025 CG GLU A 64 11.041 -11.039 3.067 1.00 24.16 C ATOM 1026 CD GLU A 64 11.700 -12.324 3.508 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.780 -12.613 4.735 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.177 -13.112 2.651 1.00 31.72 O ATOM 0 H GLU A 64 9.952 -8.076 1.762 1.00 10.04 H new ATOM 0 HA GLU A 64 8.870 -9.337 3.062 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.236 -9.797 4.866 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.751 -10.725 4.814 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.242 -11.287 2.368 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.775 -10.450 2.517 1.00 24.16 H new ATOM 1035 N SER A 65 8.989 -6.674 4.517 1.00 6.85 N ATOM 1036 CA SER A 65 8.325 -5.726 5.425 1.00 6.90 C ATOM 1037 C SER A 65 6.822 -5.873 5.297 1.00 4.72 C ATOM 1038 O SER A 65 6.280 -6.519 4.421 1.00 3.91 O ATOM 1039 CB SER A 65 8.805 -4.262 5.110 1.00 7.28 C ATOM 1040 OG SER A 65 8.316 -3.384 6.120 1.00 10.56 O ATOM 0 H SER A 65 9.336 -6.238 3.662 1.00 6.85 H new ATOM 0 HA SER A 65 8.594 -5.943 6.459 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.894 -4.223 5.073 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.441 -3.949 4.131 1.00 7.28 H new ATOM 0 HG SER A 65 8.613 -2.470 5.930 1.00 10.56 H new ATOM 1046 N THR A 66 6.067 -5.238 6.216 1.00 4.48 N ATOM 1047 CA THR A 66 4.612 -5.444 6.318 1.00 3.80 C ATOM 1048 C THR A 66 4.117 -3.988 6.346 1.00 4.60 C ATOM 1049 O THR A 66 4.692 -3.198 7.096 1.00 5.33 O ATOM 1050 CB THR A 66 4.233 -6.112 7.651 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.511 -7.547 7.681 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.734 -5.997 7.922 1.00 3.40 C ATOM 0 H THR A 66 6.443 -4.579 6.897 1.00 4.48 H new ATOM 0 HA THR A 66 4.206 -6.076 5.528 1.00 3.80 H new ATOM 0 HB THR A 66 4.837 -5.589 8.392 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.251 -7.912 8.552 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.498 -6.478 8.871 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.452 -4.945 7.969 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.181 -6.485 7.120 1.00 3.40 H new ATOM 1060 N LEU A 67 3.097 -3.606 5.507 1.00 4.17 N ATOM 1061 CA LEU A 67 2.367 -2.350 5.473 1.00 3.85 C ATOM 1062 C LEU A 67 0.961 -2.596 5.935 1.00 3.80 C ATOM 1063 O LEU A 67 0.444 -3.701 5.906 1.00 5.54 O ATOM 1064 CB LEU A 67 2.313 -1.548 4.120 1.00 7.18 C ATOM 1065 CG LEU A 67 3.569 -1.755 3.205 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.242 -1.023 1.937 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.991 -1.418 3.794 1.00 11.66 C ATOM 0 H LEU A 67 2.758 -4.244 4.787 1.00 4.17 H new ATOM 0 HA LEU A 67 2.950 -1.705 6.130 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.421 -1.846 3.568 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.210 -0.486 4.343 1.00 7.18 H new ATOM 0 HG LEU A 67 3.719 -2.825 3.061 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.073 -1.118 1.238 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.343 -1.449 1.492 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.072 0.031 2.159 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.753 -1.614 3.040 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.026 -0.367 4.081 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.179 -2.040 4.669 1.00 11.66 H new ATOM 1079 N HIS A 68 0.285 -1.520 6.350 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.164 -1.563 6.616 1.00 4.17 C ATOM 1081 C HIS A 68 -2.047 -0.874 5.596 1.00 5.32 C ATOM 1082 O HIS A 68 -1.812 0.222 5.155 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.500 -0.996 8.018 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.561 -1.473 9.073 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.214 -0.700 9.870 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.132 -2.745 9.304 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.098 -1.531 10.521 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.925 -2.805 10.180 1.00 16.30 N ATOM 0 H HIS A 68 0.713 -0.608 6.510 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.393 -2.627 6.552 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.474 0.093 7.980 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.517 -1.282 8.287 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.577 -3.616 8.846 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.843 -1.189 11.224 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.448 -3.624 10.492 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.161 -1.518 5.190 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.158 -1.105 4.223 1.00 3.97 C ATOM 1098 C LEU A 69 -5.452 -0.843 4.940 1.00 5.07 C ATOM 1099 O LEU A 69 -5.952 -1.640 5.805 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.373 -2.205 3.116 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.555 -2.001 2.116 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.291 -0.804 1.168 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.787 -3.265 1.244 1.00 9.96 C ATOM 0 H LEU A 69 -3.393 -2.431 5.581 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.811 -0.198 3.728 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.453 -2.284 2.537 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.518 -3.162 3.617 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.440 -1.805 2.722 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.132 -0.689 0.485 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.174 0.106 1.756 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.381 -0.987 0.596 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.617 -3.088 0.560 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.885 -3.483 0.672 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.022 -4.113 1.887 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.966 0.343 4.600 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.155 0.873 5.167 1.00 6.26 C ATOM 1117 C VAL A 70 -8.200 1.055 4.135 1.00 9.22 C ATOM 1118 O VAL A 70 -8.077 1.814 3.181 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.896 2.280 5.835 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.138 3.082 6.319 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.113 2.036 7.119 1.00 8.54 C ATOM 0 H VAL A 70 -5.538 0.955 3.905 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.485 0.157 5.920 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.412 2.858 5.047 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.814 4.026 6.756 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.795 3.281 5.472 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.677 2.502 7.068 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.914 2.988 7.611 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.695 1.399 7.785 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.169 1.546 6.882 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.338 0.399 4.351 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.484 0.555 3.516 1.00 16.06 C ATOM 1133 C LEU A 71 -11.178 1.858 3.774 1.00 18.09 C ATOM 1134 O LEU A 71 -11.492 2.230 4.902 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.450 -0.626 3.497 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.750 -1.940 2.984 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.730 -3.080 3.017 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.785 -1.828 1.784 1.00 19.57 C ATOM 0 H LEU A 71 -9.472 -0.256 5.121 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.085 0.574 2.502 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.844 -0.791 4.500 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.300 -0.392 2.856 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.966 -2.188 3.699 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.244 -3.988 2.662 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.078 -3.231 4.039 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.580 -2.848 2.375 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.382 -2.813 1.548 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.323 -1.439 0.920 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.967 -1.153 2.036 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.567 2.594 2.707 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.188 3.880 2.760 1.00 25.83 C ATOM 1152 C ARG A 72 -13.535 3.803 2.130 1.00 27.74 C ATOM 1153 O ARG A 72 -13.754 3.206 1.074 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.269 4.824 1.884 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.949 6.160 1.581 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.056 6.849 0.623 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.642 8.248 0.594 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.504 9.123 -0.459 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.067 8.734 -1.627 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.866 10.380 -0.239 1.00 35.02 N ATOM 0 H ARG A 72 -11.437 2.264 1.751 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.300 4.238 3.783 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.330 5.005 2.408 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.021 4.323 0.949 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.940 6.008 1.154 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.080 6.749 2.489 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.019 6.848 0.959 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.073 6.379 -0.360 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.172 8.560 1.407 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.817 7.757 -1.778 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.976 9.407 -2.388 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.225 10.655 0.675 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.785 11.072 -0.984 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.589 4.356 2.802 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.938 4.387 2.325 1.00 30.76 C ATOM 1176 C LEU A 73 -16.191 5.826 1.898 1.00 32.18 C ATOM 1177 O LEU A 73 -15.433 6.762 2.230 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.979 4.007 3.406 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.967 2.530 3.895 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.067 2.287 4.941 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.062 1.499 2.739 1.00 29.11 C ATOM 0 H LEU A 73 -14.482 4.797 3.716 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.049 3.660 1.520 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.825 4.653 4.270 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.972 4.229 3.016 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.996 2.373 4.364 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.037 1.247 5.266 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.904 2.940 5.798 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.041 2.501 4.501 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.048 0.489 3.150 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.990 1.654 2.188 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.215 1.628 2.066 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.301 6.087 1.180 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.742 7.402 0.817 1.00 35.33 C ATOM 1195 C ARG A 74 -17.915 8.427 1.939 1.00 36.22 C ATOM 1196 O ARG A 74 -18.320 8.091 3.039 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.015 7.453 -0.146 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.291 8.704 -0.912 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.413 8.840 -2.080 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.687 7.662 -2.998 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.688 7.195 -3.815 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.610 7.901 -4.102 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.737 5.993 -4.369 1.00 41.93 N ATOM 0 H ARG A 74 -17.918 5.350 0.838 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.862 7.716 0.256 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.916 6.641 -0.866 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.895 7.237 0.460 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.331 8.707 -1.238 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.160 9.566 -0.258 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.605 9.781 -2.596 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.367 8.852 -1.774 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.607 7.221 -3.007 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.494 8.836 -3.711 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.894 7.512 -4.715 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.535 5.383 -4.193 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.977 5.678 -4.971 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.425 9.653 1.658 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.608 10.817 2.557 1.00 36.07 C ATOM 1219 C GLY A 75 -16.365 11.272 3.299 1.00 36.16 C ATOM 1220 O GLY A 75 -16.517 12.027 4.216 1.00 36.26 O ATOM 0 H GLY A 75 -16.897 9.865 0.812 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.985 11.653 1.968 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.377 10.571 3.289 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.148 10.895 2.808 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.884 11.464 3.389 1.00 36.19 C ATOM 1226 C GLY A 76 -12.585 10.805 2.828 1.00 36.20 C ATOM 1227 O GLY A 76 -12.463 9.557 2.838 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.740 11.538 2.316 1.00 0.00 O ATOM 0 H GLY A 76 -15.011 10.231 2.046 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.853 12.535 3.190 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.905 11.342 4.472 1.00 36.19 H new TER 1232 GLY A 76