USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 164:sc=-0.00866 (180deg=-0.539) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.42 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc=-0.000427 K(o=-0.00043,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.134 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0174 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+ -157:sc= 1.38 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.037) USER MOD Single : A 41 GLN : amide:sc= 0.00985 K(o=0.0098,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.119 USER MOD Single : A 60 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.0081) 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 86:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.620 -7.155 -4.603 1.00 9.67 N ATOM 2 CA MET A 1 11.567 -7.030 -3.112 1.00 10.38 C ATOM 3 C MET A 1 10.180 -7.443 -2.631 1.00 9.62 C ATOM 4 O MET A 1 9.140 -7.260 -3.244 1.00 9.62 O ATOM 5 CB MET A 1 11.798 -5.584 -2.704 1.00 13.77 C ATOM 6 CG MET A 1 11.826 -5.321 -1.190 1.00 16.29 C ATOM 7 SD MET A 1 12.284 -3.678 -0.654 1.00 17.17 S ATOM 8 CE MET A 1 10.758 -2.859 -1.288 1.00 16.11 C ATOM 0 H1 MET A 1 12.518 -6.765 -4.952 1.00 9.67 H new ATOM 0 H2 MET A 1 11.551 -8.158 -4.870 1.00 9.67 H new ATOM 0 H3 MET A 1 10.827 -6.629 -5.024 1.00 9.67 H new ATOM 0 HA MET A 1 12.336 -7.666 -2.673 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.744 -5.251 -3.131 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.014 -4.970 -3.148 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.837 -5.543 -0.790 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.519 -6.030 -0.737 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.660 -1.872 -0.835 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.823 -2.756 -2.371 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.888 -3.464 -1.033 1.00 16.11 H new ATOM 20 N GLN A 2 10.136 -8.242 -1.558 1.00 9.27 N ATOM 21 CA GLN A 2 8.866 -8.645 -0.945 1.00 9.07 C ATOM 22 C GLN A 2 8.408 -7.591 0.106 1.00 8.72 C ATOM 23 O GLN A 2 9.192 -7.065 0.914 1.00 8.22 O ATOM 24 CB GLN A 2 9.046 -10.020 -0.319 1.00 14.46 C ATOM 25 CG GLN A 2 7.723 -10.649 0.298 1.00 17.01 C ATOM 26 CD GLN A 2 7.985 -12.029 0.865 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.377 -12.135 2.038 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.852 -13.097 0.055 1.00 19.49 N ATOM 0 H GLN A 2 10.964 -8.621 -1.098 1.00 9.27 H new ATOM 0 HA GLN A 2 8.084 -8.699 -1.702 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.436 -10.700 -1.076 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.799 -9.951 0.466 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.339 -9.997 1.083 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.953 -10.709 -0.471 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.527 -12.973 -0.904 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.076 -14.030 0.400 1.00 19.49 H new ATOM 37 N ILE A 3 7.089 -7.347 0.091 1.00 5.87 N ATOM 38 CA ILE A 3 6.398 -6.508 1.032 1.00 5.07 C ATOM 39 C ILE A 3 5.089 -7.290 1.284 1.00 4.01 C ATOM 40 O ILE A 3 4.724 -8.226 0.586 1.00 4.61 O ATOM 41 CB ILE A 3 6.121 -5.048 0.665 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.162 -4.898 -0.534 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.485 -4.332 0.492 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.452 -3.523 -0.624 1.00 10.83 C ATOM 0 H ILE A 3 6.468 -7.752 -0.610 1.00 5.87 H new ATOM 0 HA ILE A 3 7.044 -6.348 1.895 1.00 5.07 H new ATOM 0 HB ILE A 3 5.575 -4.558 1.471 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.723 -5.064 -1.454 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.405 -5.680 -0.477 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.317 -3.288 0.230 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.045 -4.386 1.425 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.053 -4.818 -0.301 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.798 -3.507 -1.496 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.860 -3.360 0.276 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.198 -2.734 -0.716 1.00 10.83 H new ATOM 56 N PHE A 4 4.415 -6.928 2.365 1.00 4.55 N ATOM 57 CA PHE A 4 3.178 -7.458 2.848 1.00 4.68 C ATOM 58 C PHE A 4 2.123 -6.413 2.941 1.00 5.30 C ATOM 59 O PHE A 4 2.358 -5.318 3.443 1.00 5.58 O ATOM 60 CB PHE A 4 3.420 -8.122 4.218 1.00 4.83 C ATOM 61 CG PHE A 4 4.179 -9.382 4.148 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.542 -10.511 3.628 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.554 -9.347 4.303 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.340 -11.647 3.362 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.302 -10.588 4.104 1.00 10.61 C ATOM 66 CZ PHE A 4 5.672 -11.706 3.572 1.00 8.90 C ATOM 0 H PHE A 4 4.764 -6.187 2.972 1.00 4.55 H new ATOM 0 HA PHE A 4 2.816 -8.201 2.138 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.956 -7.422 4.860 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.457 -8.316 4.691 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.479 -10.516 3.436 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.060 -8.429 4.564 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.852 -12.525 2.965 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.347 -10.635 4.371 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.233 -12.598 3.333 1.00 8.90 H new ATOM 76 N VAL A 5 0.857 -6.790 2.630 1.00 4.44 N ATOM 77 CA VAL A 5 -0.267 -5.924 2.959 1.00 3.87 C ATOM 78 C VAL A 5 -1.103 -6.607 3.993 1.00 4.93 C ATOM 79 O VAL A 5 -1.622 -7.692 3.739 1.00 6.84 O ATOM 80 CB VAL A 5 -1.136 -5.540 1.751 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.270 -4.605 2.131 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.307 -4.819 0.693 1.00 9.13 C ATOM 0 H VAL A 5 0.609 -7.664 2.166 1.00 4.44 H new ATOM 0 HA VAL A 5 0.146 -4.987 3.333 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.540 -6.477 1.368 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.855 -4.363 1.244 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.911 -5.091 2.867 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.859 -3.689 2.556 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.944 -4.557 -0.152 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.119 -3.912 1.121 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.497 -5.472 0.353 1.00 9.13 H new ATOM 92 N LYS A 6 -1.464 -5.987 5.182 1.00 6.04 N ATOM 93 CA LYS A 6 -2.345 -6.484 6.208 1.00 6.12 C ATOM 94 C LYS A 6 -3.612 -5.710 6.254 1.00 6.57 C ATOM 95 O LYS A 6 -3.588 -4.509 6.499 1.00 5.76 O ATOM 96 CB LYS A 6 -1.761 -6.461 7.677 1.00 7.45 C ATOM 97 CG LYS A 6 -2.643 -7.007 8.752 1.00 11.12 C ATOM 98 CD LYS A 6 -3.102 -8.438 8.596 1.00 14.54 C ATOM 99 CE LYS A 6 -4.267 -8.832 9.586 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.845 -8.926 11.075 1.00 20.55 N ATOM 0 H LYS A 6 -1.097 -5.066 5.421 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.496 -7.523 5.915 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.828 -7.024 7.682 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.513 -5.430 7.930 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.114 -6.922 9.701 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.527 -6.373 8.821 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.437 -8.595 7.571 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.255 -9.104 8.760 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -5.068 -8.098 9.495 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.679 -9.793 9.277 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.668 -9.189 11.653 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.103 -9.647 11.181 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -3.480 -8.005 11.391 1.00 20.55 H new ATOM 114 N THR A 7 -4.770 -6.337 5.976 1.00 7.41 N ATOM 115 CA THR A 7 -6.051 -5.648 5.959 1.00 7.48 C ATOM 116 C THR A 7 -6.750 -5.648 7.300 1.00 8.75 C ATOM 117 O THR A 7 -6.429 -6.419 8.209 1.00 8.58 O ATOM 118 CB THR A 7 -6.982 -6.270 4.944 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.558 -7.485 5.377 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.212 -6.621 3.630 1.00 9.17 C ATOM 0 H THR A 7 -4.832 -7.332 5.759 1.00 7.41 H new ATOM 0 HA THR A 7 -5.821 -4.616 5.695 1.00 7.48 H new ATOM 0 HB THR A 7 -7.760 -5.522 4.791 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.265 -7.752 4.754 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.901 -7.068 2.913 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.784 -5.713 3.205 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.413 -7.328 3.854 1.00 9.17 H new ATOM 128 N LEU A 8 -7.767 -4.774 7.386 1.00 9.84 N ATOM 129 CA LEU A 8 -8.640 -4.730 8.550 1.00 14.15 C ATOM 130 C LEU A 8 -9.346 -6.017 8.803 1.00 17.37 C ATOM 131 O LEU A 8 -9.573 -6.417 9.968 1.00 17.01 O ATOM 132 CB LEU A 8 -9.661 -3.519 8.480 1.00 16.63 C ATOM 133 CG LEU A 8 -10.553 -3.203 9.658 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.782 -2.906 10.962 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.545 -2.119 9.376 1.00 18.59 C ATOM 0 H LEU A 8 -7.997 -4.094 6.661 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.983 -4.565 9.404 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.082 -2.621 8.264 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.310 -3.694 7.622 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.110 -4.126 9.819 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.490 -2.688 11.762 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.181 -3.774 11.235 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.130 -2.046 10.811 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.153 -1.942 10.263 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.017 -1.203 9.110 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.188 -2.421 8.549 1.00 18.59 H new ATOM 147 N THR A 9 -9.730 -6.801 7.804 1.00 18.33 N ATOM 148 CA THR A 9 -10.707 -7.910 7.900 1.00 19.24 C ATOM 149 C THR A 9 -10.027 -9.212 7.821 1.00 19.48 C ATOM 150 O THR A 9 -10.623 -10.273 7.525 1.00 23.14 O ATOM 151 CB THR A 9 -11.955 -7.852 6.939 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.601 -7.555 5.571 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.741 -6.618 7.511 1.00 19.70 C ATOM 0 H THR A 9 -9.362 -6.688 6.860 1.00 18.33 H new ATOM 0 HA THR A 9 -11.154 -7.775 8.885 1.00 19.24 H new ATOM 0 HB THR A 9 -12.489 -8.802 6.913 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.412 -7.533 5.021 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.647 -6.461 6.926 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.008 -6.807 8.551 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.114 -5.729 7.454 1.00 19.70 H new ATOM 161 N GLY A 10 -8.751 -9.186 8.093 1.00 19.43 N ATOM 162 CA GLY A 10 -7.866 -10.266 8.420 1.00 18.74 C ATOM 163 C GLY A 10 -7.219 -11.001 7.274 1.00 17.62 C ATOM 164 O GLY A 10 -6.759 -12.152 7.444 1.00 19.74 O ATOM 0 H GLY A 10 -8.249 -8.298 8.089 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.075 -9.872 9.058 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.423 -10.991 9.014 1.00 18.74 H new ATOM 168 N LYS A 11 -7.224 -10.437 6.062 1.00 13.56 N ATOM 169 CA LYS A 11 -6.428 -10.928 4.978 1.00 11.91 C ATOM 170 C LYS A 11 -4.995 -10.352 5.142 1.00 10.18 C ATOM 171 O LYS A 11 -4.800 -9.222 5.639 1.00 9.10 O ATOM 172 CB LYS A 11 -7.025 -10.517 3.683 1.00 13.43 C ATOM 173 CG LYS A 11 -6.356 -10.920 2.338 1.00 16.69 C ATOM 174 CD LYS A 11 -6.610 -12.422 1.946 1.00 17.92 C ATOM 175 CE LYS A 11 -6.087 -12.897 0.592 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.870 -12.561 -0.528 1.00 21.93 N ATOM 0 H LYS A 11 -7.790 -9.623 5.824 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.389 -12.017 4.989 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.044 -10.903 3.663 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.096 -9.429 3.693 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.733 -10.275 1.544 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.282 -10.746 2.407 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.165 -13.050 2.717 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.685 -12.599 1.972 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.088 -12.486 0.447 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.984 -13.982 0.626 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.477 -13.018 -1.376 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.846 -12.887 -0.380 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.866 -11.529 -0.657 1.00 21.93 H new ATOM 190 N THR A 12 -4.018 -11.141 4.681 1.00 9.63 N ATOM 191 CA THR A 12 -2.615 -10.677 4.458 1.00 9.85 C ATOM 192 C THR A 12 -2.287 -10.945 2.985 1.00 11.66 C ATOM 193 O THR A 12 -2.600 -11.981 2.397 1.00 12.33 O ATOM 194 CB THR A 12 -1.656 -11.502 5.317 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.892 -11.112 6.660 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.186 -11.104 5.015 1.00 9.63 C ATOM 0 H THR A 12 -4.163 -12.123 4.447 1.00 9.63 H new ATOM 0 HA THR A 12 -2.515 -9.623 4.715 1.00 9.85 H new ATOM 0 HB THR A 12 -1.808 -12.565 5.128 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.300 -11.616 7.256 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.486 -11.699 5.633 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.032 -11.287 3.963 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.042 -10.046 5.237 1.00 9.63 H new ATOM 204 N ILE A 13 -1.691 -9.964 2.266 1.00 10.42 N ATOM 205 CA ILE A 13 -1.289 -10.103 0.815 1.00 11.84 C ATOM 206 C ILE A 13 0.229 -10.108 0.698 1.00 10.55 C ATOM 207 O ILE A 13 0.947 -9.212 1.136 1.00 11.92 O ATOM 208 CB ILE A 13 -1.727 -8.974 -0.133 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.121 -8.463 0.180 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.678 -9.461 -1.586 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.202 -9.475 -0.034 1.00 16.46 C ATOM 0 H ILE A 13 -1.469 -9.050 2.660 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.789 -11.024 0.517 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.031 -8.148 0.011 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.150 -8.129 1.217 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.325 -7.591 -0.441 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.990 -8.655 -2.251 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.661 -9.763 -1.834 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.349 -10.311 -1.708 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.168 -9.033 0.211 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.202 -9.792 -1.077 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.024 -10.338 0.607 1.00 16.46 H new ATOM 223 N THR A 14 0.869 -11.161 0.088 1.00 9.39 N ATOM 224 CA THR A 14 2.290 -11.131 -0.274 1.00 9.63 C ATOM 225 C THR A 14 2.501 -10.457 -1.607 1.00 11.20 C ATOM 226 O THR A 14 1.719 -10.667 -2.560 1.00 11.63 O ATOM 227 CB THR A 14 2.932 -12.556 -0.464 1.00 10.38 C ATOM 228 OG1 THR A 14 2.560 -13.441 0.491 1.00 16.30 O ATOM 229 CG2 THR A 14 4.469 -12.587 -0.488 1.00 11.66 C ATOM 0 H THR A 14 0.402 -12.034 -0.155 1.00 9.39 H new ATOM 0 HA THR A 14 2.754 -10.604 0.560 1.00 9.63 H new ATOM 0 HB THR A 14 2.548 -12.836 -1.445 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.988 -14.306 0.320 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.810 -13.613 -0.623 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.833 -11.972 -1.311 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.856 -12.197 0.454 1.00 11.66 H new ATOM 237 N LEU A 15 3.493 -9.589 -1.751 1.00 8.29 N ATOM 238 CA LEU A 15 3.585 -8.734 -2.935 1.00 9.03 C ATOM 239 C LEU A 15 5.035 -8.512 -3.289 1.00 8.59 C ATOM 240 O LEU A 15 5.760 -7.921 -2.494 1.00 7.79 O ATOM 241 CB LEU A 15 3.039 -7.262 -2.791 1.00 11.08 C ATOM 242 CG LEU A 15 1.481 -7.220 -2.725 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.025 -5.714 -2.513 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.761 -7.842 -3.960 1.00 15.27 C ATOM 0 H LEU A 15 4.242 -9.456 -1.071 1.00 8.29 H new ATOM 0 HA LEU A 15 2.982 -9.277 -3.663 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.452 -6.809 -1.890 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.382 -6.664 -3.635 1.00 11.08 H new ATOM 0 HG LEU A 15 1.182 -7.846 -1.885 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.063 -5.667 -2.465 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.447 -5.334 -1.582 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.378 -5.106 -3.346 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.318 -7.769 -3.827 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.053 -7.303 -4.861 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.044 -8.890 -4.057 1.00 15.27 H new ATOM 256 N GLU A 16 5.466 -8.755 -4.514 1.00 11.04 N ATOM 257 CA GLU A 16 6.777 -8.505 -5.018 1.00 11.50 C ATOM 258 C GLU A 16 6.828 -7.163 -5.762 1.00 10.13 C ATOM 259 O GLU A 16 6.078 -6.800 -6.662 1.00 9.83 O ATOM 260 CB GLU A 16 7.282 -9.652 -5.908 1.00 17.22 C ATOM 261 CG GLU A 16 8.819 -9.638 -6.211 1.00 23.33 C ATOM 262 CD GLU A 16 9.710 -10.251 -5.139 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.311 -11.272 -4.512 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.835 -9.761 -4.866 1.00 28.90 O ATOM 0 H GLU A 16 4.854 -9.161 -5.222 1.00 11.04 H new ATOM 0 HA GLU A 16 7.449 -8.448 -4.162 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.032 -10.599 -5.429 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.742 -9.621 -6.854 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.991 -10.169 -7.147 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.130 -8.605 -6.369 1.00 23.33 H new ATOM 271 N VAL A 17 7.715 -6.257 -5.354 1.00 8.99 N ATOM 272 CA VAL A 17 7.733 -4.852 -5.715 1.00 8.85 C ATOM 273 C VAL A 17 9.201 -4.520 -5.961 1.00 8.04 C ATOM 274 O VAL A 17 10.094 -5.293 -5.614 1.00 8.99 O ATOM 275 CB VAL A 17 7.250 -3.966 -4.597 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.743 -4.375 -4.476 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.064 -4.234 -3.307 1.00 10.54 C ATOM 0 H VAL A 17 8.481 -6.504 -4.727 1.00 8.99 H new ATOM 0 HA VAL A 17 7.082 -4.684 -6.573 1.00 8.85 H new ATOM 0 HB VAL A 17 7.371 -2.897 -4.772 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.271 -3.793 -3.685 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.236 -4.181 -5.421 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.672 -5.436 -4.238 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.703 -3.586 -2.508 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.944 -5.276 -3.011 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.118 -4.028 -3.493 1.00 10.54 H new ATOM 287 N GLU A 18 9.582 -3.306 -6.510 1.00 7.29 N ATOM 288 CA GLU A 18 10.929 -2.776 -6.506 1.00 7.08 C ATOM 289 C GLU A 18 10.930 -1.643 -5.566 1.00 6.45 C ATOM 290 O GLU A 18 9.922 -0.952 -5.425 1.00 5.28 O ATOM 291 CB GLU A 18 11.329 -2.196 -7.872 1.00 10.28 C ATOM 292 CG GLU A 18 11.304 -3.142 -9.079 1.00 12.65 C ATOM 293 CD GLU A 18 12.053 -4.375 -8.686 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.267 -4.327 -8.300 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.467 -5.504 -8.811 1.00 18.17 O ATOM 0 H GLU A 18 8.915 -2.685 -6.969 1.00 7.29 H new ATOM 0 HA GLU A 18 11.618 -3.579 -6.246 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.667 -1.358 -8.088 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.337 -1.791 -7.783 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.278 -3.386 -9.356 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.765 -2.671 -9.947 1.00 12.65 H new ATOM 302 N PRO A 19 11.992 -1.325 -4.785 1.00 7.24 N ATOM 303 CA PRO A 19 11.949 -0.247 -3.856 1.00 7.07 C ATOM 304 C PRO A 19 11.946 1.129 -4.493 1.00 6.65 C ATOM 305 O PRO A 19 11.800 2.120 -3.830 1.00 6.37 O ATOM 306 CB PRO A 19 13.305 -0.362 -3.150 1.00 7.61 C ATOM 307 CG PRO A 19 14.253 -1.217 -4.001 1.00 8.16 C ATOM 308 CD PRO A 19 13.224 -2.144 -4.704 1.00 7.49 C ATOM 0 HA PRO A 19 11.046 -0.322 -3.250 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.732 0.629 -2.995 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.178 -0.812 -2.165 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.829 -0.621 -4.709 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.969 -1.773 -3.396 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.569 -2.443 -5.694 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.058 -3.058 -4.134 1.00 7.49 H new ATOM 316 N SER A 20 12.076 1.162 -5.830 1.00 6.80 N ATOM 317 CA SER A 20 11.849 2.299 -6.658 1.00 6.28 C ATOM 318 C SER A 20 10.411 2.370 -7.192 1.00 8.45 C ATOM 319 O SER A 20 10.091 3.417 -7.794 1.00 7.26 O ATOM 320 CB SER A 20 12.888 2.283 -7.881 1.00 8.57 C ATOM 321 OG SER A 20 12.985 1.030 -8.476 1.00 11.13 O ATOM 0 H SER A 20 12.358 0.340 -6.364 1.00 6.80 H new ATOM 0 HA SER A 20 12.000 3.186 -6.043 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.578 3.014 -8.628 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.871 2.590 -7.524 1.00 8.57 H new ATOM 0 HG SER A 20 13.627 1.068 -9.216 1.00 11.13 H new ATOM 327 N ASP A 21 9.505 1.364 -6.916 1.00 7.50 N ATOM 328 CA ASP A 21 8.096 1.485 -7.274 1.00 7.70 C ATOM 329 C ASP A 21 7.362 2.540 -6.490 1.00 7.08 C ATOM 330 O ASP A 21 7.665 2.861 -5.336 1.00 8.11 O ATOM 331 CB ASP A 21 7.409 0.151 -7.161 1.00 11.00 C ATOM 332 CG ASP A 21 7.790 -0.887 -8.177 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.263 -0.551 -9.294 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.483 -2.079 -7.953 1.00 18.03 O ATOM 0 H ASP A 21 9.749 0.488 -6.454 1.00 7.50 H new ATOM 0 HA ASP A 21 8.069 1.817 -8.312 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.610 -0.253 -6.169 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.333 0.314 -7.227 1.00 11.00 H new ATOM 339 N THR A 22 6.299 3.120 -7.116 1.00 5.37 N ATOM 340 CA THR A 22 5.459 4.067 -6.459 1.00 6.01 C ATOM 341 C THR A 22 4.263 3.450 -5.752 1.00 8.01 C ATOM 342 O THR A 22 3.766 2.359 -6.084 1.00 8.11 O ATOM 343 CB THR A 22 4.813 5.247 -7.272 1.00 8.92 C ATOM 344 OG1 THR A 22 3.981 4.800 -8.270 1.00 10.22 O ATOM 345 CG2 THR A 22 5.905 6.093 -7.771 1.00 9.65 C ATOM 0 H THR A 22 6.033 2.923 -8.081 1.00 5.37 H new ATOM 0 HA THR A 22 6.233 4.473 -5.807 1.00 6.01 H new ATOM 0 HB THR A 22 4.165 5.837 -6.624 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.601 5.567 -8.747 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.490 6.924 -8.341 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.478 6.481 -6.929 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.558 5.503 -8.413 1.00 9.65 H new ATOM 353 N ILE A 23 3.751 4.240 -4.725 1.00 8.32 N ATOM 354 CA ILE A 23 2.665 3.826 -3.816 1.00 9.92 C ATOM 355 C ILE A 23 1.370 3.548 -4.603 1.00 10.01 C ATOM 356 O ILE A 23 0.705 2.528 -4.395 1.00 8.71 O ATOM 357 CB ILE A 23 2.431 4.975 -2.760 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.698 5.190 -1.910 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.152 4.758 -1.917 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.426 3.953 -1.296 1.00 12.30 C ATOM 0 H ILE A 23 4.101 5.178 -4.529 1.00 8.32 H new ATOM 0 HA ILE A 23 2.946 2.904 -3.307 1.00 9.92 H new ATOM 0 HB ILE A 23 2.248 5.902 -3.303 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.421 5.722 -2.529 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.432 5.855 -1.088 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.041 5.578 -1.207 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.284 4.727 -2.575 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.230 3.816 -1.374 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.296 4.287 -0.730 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.744 3.421 -0.633 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.748 3.286 -2.096 1.00 12.30 H new ATOM 372 N GLU A 24 1.032 4.407 -5.617 1.00 9.54 N ATOM 373 CA GLU A 24 -0.038 4.213 -6.532 1.00 11.81 C ATOM 374 C GLU A 24 0.071 3.019 -7.451 1.00 11.14 C ATOM 375 O GLU A 24 -0.922 2.278 -7.690 1.00 10.62 O ATOM 376 CB GLU A 24 -0.355 5.469 -7.304 1.00 19.24 C ATOM 377 CG GLU A 24 -1.757 5.424 -7.995 1.00 27.76 C ATOM 378 CD GLU A 24 -2.184 6.734 -8.647 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.426 7.162 -9.525 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.238 7.343 -8.326 1.00 34.80 O ATOM 0 H GLU A 24 1.544 5.272 -5.788 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.878 3.969 -5.881 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.316 6.324 -6.628 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.413 5.627 -8.062 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.749 4.641 -8.754 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.504 5.142 -7.253 1.00 27.76 H new ATOM 387 N ASN A 25 1.271 2.710 -7.982 1.00 9.43 N ATOM 388 CA ASN A 25 1.532 1.485 -8.666 1.00 10.96 C ATOM 389 C ASN A 25 1.335 0.213 -7.809 1.00 9.68 C ATOM 390 O ASN A 25 0.812 -0.796 -8.285 1.00 9.33 O ATOM 391 CB ASN A 25 2.965 1.536 -9.237 1.00 16.78 C ATOM 392 CG ASN A 25 3.321 0.393 -10.188 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.851 -0.663 -9.777 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.950 0.592 -11.494 1.00 24.70 N ATOM 0 H ASN A 25 2.079 3.331 -7.932 1.00 9.43 H new ATOM 0 HA ASN A 25 0.791 1.402 -9.461 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.097 2.481 -9.763 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.671 1.532 -8.407 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.103 -0.142 -12.185 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.521 1.474 -11.774 1.00 24.70 H new ATOM 401 N VAL A 26 1.827 0.276 -6.473 1.00 6.52 N ATOM 402 CA VAL A 26 1.491 -0.744 -5.484 1.00 5.53 C ATOM 403 C VAL A 26 -0.026 -0.856 -5.223 1.00 4.42 C ATOM 404 O VAL A 26 -0.611 -1.930 -5.247 1.00 3.40 O ATOM 405 CB VAL A 26 2.300 -0.611 -4.141 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.892 -1.642 -3.050 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.847 -0.816 -4.422 1.00 8.12 C ATOM 0 H VAL A 26 2.432 1.019 -6.123 1.00 6.52 H new ATOM 0 HA VAL A 26 1.806 -1.683 -5.940 1.00 5.53 H new ATOM 0 HB VAL A 26 2.073 0.387 -3.766 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.495 -1.484 -2.156 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.838 -1.513 -2.804 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.056 -2.652 -3.425 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.402 -0.723 -3.488 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.012 -1.807 -4.845 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.192 -0.059 -5.126 1.00 8.12 H new ATOM 417 N LYS A 27 -0.787 0.258 -5.106 1.00 2.64 N ATOM 418 CA LYS A 27 -2.268 0.248 -5.011 1.00 4.14 C ATOM 419 C LYS A 27 -2.948 -0.390 -6.216 1.00 5.58 C ATOM 420 O LYS A 27 -3.916 -1.141 -6.028 1.00 4.11 O ATOM 421 CB LYS A 27 -2.969 1.590 -4.766 1.00 3.97 C ATOM 422 CG LYS A 27 -2.623 2.278 -3.436 1.00 7.45 C ATOM 423 CD LYS A 27 -3.425 3.603 -3.232 1.00 9.02 C ATOM 424 CE LYS A 27 -3.226 4.283 -1.942 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.821 5.634 -1.885 1.00 15.47 N ATOM 0 H LYS A 27 -0.388 1.196 -5.075 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.391 -0.352 -4.110 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.718 2.267 -5.583 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.047 1.431 -4.804 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.833 1.597 -2.611 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.555 2.493 -3.407 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.156 4.294 -4.030 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.487 3.383 -3.345 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.657 3.672 -1.149 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.157 4.358 -1.742 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.340 6.194 -1.153 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.710 6.101 -2.807 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.832 5.558 -1.655 1.00 15.47 H new ATOM 439 N ALA A 28 -2.497 -0.214 -7.485 1.00 6.61 N ATOM 440 CA ALA A 28 -2.946 -0.877 -8.651 1.00 7.74 C ATOM 441 C ALA A 28 -2.637 -2.407 -8.627 1.00 9.17 C ATOM 442 O ALA A 28 -3.524 -3.223 -9.008 1.00 11.45 O ATOM 443 CB ALA A 28 -2.278 -0.323 -9.925 1.00 7.68 C ATOM 0 H ALA A 28 -1.754 0.454 -7.692 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.022 -0.705 -8.666 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.652 -0.861 -10.796 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.511 0.737 -10.026 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.198 -0.452 -9.855 1.00 7.68 H new ATOM 449 N LYS A 29 -1.480 -2.846 -8.128 1.00 8.96 N ATOM 450 CA LYS A 29 -1.077 -4.191 -7.843 1.00 7.90 C ATOM 451 C LYS A 29 -2.057 -4.747 -6.809 1.00 6.92 C ATOM 452 O LYS A 29 -2.511 -5.875 -6.980 1.00 6.87 O ATOM 453 CB LYS A 29 0.391 -4.315 -7.318 1.00 10.28 C ATOM 454 CG LYS A 29 1.064 -5.694 -7.267 1.00 14.94 C ATOM 455 CD LYS A 29 2.571 -5.446 -7.279 1.00 19.69 C ATOM 456 CE LYS A 29 3.264 -5.631 -8.612 1.00 22.63 C ATOM 457 NZ LYS A 29 4.732 -5.405 -8.596 1.00 24.98 N ATOM 0 H LYS A 29 -0.738 -2.186 -7.896 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.096 -4.759 -8.773 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.015 -3.671 -7.938 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.412 -3.904 -6.309 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.768 -6.236 -6.369 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.765 -6.303 -8.120 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.754 -4.428 -6.935 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.035 -6.116 -6.555 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.072 -6.644 -8.966 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.815 -4.950 -9.335 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.131 -5.652 -9.524 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.927 -4.404 -8.391 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.167 -6.000 -7.862 1.00 24.98 H new ATOM 471 N ILE A 30 -2.385 -4.027 -5.706 1.00 4.57 N ATOM 472 CA ILE A 30 -3.308 -4.445 -4.645 1.00 5.58 C ATOM 473 C ILE A 30 -4.724 -4.609 -5.233 1.00 7.26 C ATOM 474 O ILE A 30 -5.441 -5.552 -4.871 1.00 9.46 O ATOM 475 CB ILE A 30 -3.436 -3.390 -3.473 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.066 -3.439 -2.702 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.701 -3.706 -2.577 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.965 -2.289 -1.689 1.00 2.00 C ATOM 0 H ILE A 30 -1.991 -3.102 -5.534 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.901 -5.374 -4.245 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.608 -2.375 -3.830 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.969 -4.394 -2.185 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.242 -3.376 -3.413 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.773 -2.970 -1.776 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.601 -3.664 -3.190 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.602 -4.702 -2.146 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.009 -2.345 -1.169 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.038 -1.336 -2.212 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.777 -2.369 -0.966 1.00 2.00 H new ATOM 490 N GLN A 31 -5.256 -3.735 -6.092 1.00 7.06 N ATOM 491 CA GLN A 31 -6.483 -3.894 -6.823 1.00 8.67 C ATOM 492 C GLN A 31 -6.671 -5.191 -7.574 1.00 10.90 C ATOM 493 O GLN A 31 -7.765 -5.705 -7.612 1.00 9.63 O ATOM 494 CB GLN A 31 -6.639 -2.788 -7.800 1.00 9.12 C ATOM 495 CG GLN A 31 -8.044 -2.651 -8.451 1.00 10.76 C ATOM 496 CD GLN A 31 -8.078 -1.528 -9.519 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.123 -0.877 -9.907 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.347 -1.172 -9.836 1.00 14.76 N ATOM 0 H GLN A 31 -4.800 -2.846 -6.297 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.240 -3.891 -6.039 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.399 -1.850 -7.299 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.904 -2.923 -8.593 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.325 -3.598 -8.911 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.783 -2.440 -7.678 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.132 -1.730 -9.501 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.517 -0.346 -10.409 1.00 14.76 H new ATOM 507 N ASP A 32 -5.678 -5.698 -8.184 1.00 10.93 N ATOM 508 CA ASP A 32 -5.707 -6.879 -9.026 1.00 14.01 C ATOM 509 C ASP A 32 -5.704 -8.133 -8.239 1.00 14.04 C ATOM 510 O ASP A 32 -6.213 -9.160 -8.696 1.00 13.39 O ATOM 511 CB ASP A 32 -4.427 -6.800 -9.949 1.00 18.01 C ATOM 512 CG ASP A 32 -4.564 -7.838 -11.041 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.434 -7.650 -11.913 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.861 -8.848 -10.996 1.00 26.29 O ATOM 0 H ASP A 32 -4.745 -5.290 -8.121 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.627 -6.898 -9.610 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.332 -5.804 -10.382 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.525 -6.981 -9.364 1.00 18.01 H new ATOM 519 N LYS A 33 -5.240 -8.032 -6.963 1.00 14.22 N ATOM 520 CA LYS A 33 -5.419 -8.982 -5.903 1.00 14.00 C ATOM 521 C LYS A 33 -6.656 -8.988 -5.115 1.00 12.37 C ATOM 522 O LYS A 33 -7.312 -9.992 -5.159 1.00 12.17 O ATOM 523 CB LYS A 33 -4.279 -8.881 -4.875 1.00 18.62 C ATOM 524 CG LYS A 33 -2.886 -9.247 -5.419 1.00 24.00 C ATOM 525 CD LYS A 33 -2.572 -10.728 -5.165 1.00 27.61 C ATOM 526 CE LYS A 33 -1.307 -11.261 -5.778 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.385 -12.716 -5.813 1.00 30.06 N ATOM 0 H LYS A 33 -4.700 -7.221 -6.660 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.447 -9.898 -6.493 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.247 -7.863 -4.488 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.508 -9.535 -4.033 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.843 -9.040 -6.488 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.129 -8.624 -4.943 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.522 -10.886 -4.088 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.407 -11.322 -5.536 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.178 -10.865 -6.785 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.442 -10.942 -5.197 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.516 -13.100 -6.235 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.491 -13.081 -4.845 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.204 -13.006 -6.384 1.00 30.06 H new ATOM 541 N GLU A 34 -7.031 -7.879 -4.572 1.00 10.11 N ATOM 542 CA GLU A 34 -8.163 -7.761 -3.630 1.00 10.07 C ATOM 543 C GLU A 34 -9.439 -7.203 -4.263 1.00 9.32 C ATOM 544 O GLU A 34 -10.514 -7.173 -3.652 1.00 11.61 O ATOM 545 CB GLU A 34 -7.921 -6.941 -2.371 1.00 14.77 C ATOM 546 CG GLU A 34 -7.113 -7.745 -1.270 1.00 18.75 C ATOM 547 CD GLU A 34 -7.832 -9.034 -0.830 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.816 -8.878 -0.035 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.508 -10.153 -1.230 1.00 25.19 O ATOM 0 H GLU A 34 -6.566 -6.990 -4.757 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.279 -8.807 -3.345 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.373 -6.035 -2.631 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.879 -6.626 -1.957 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.128 -7.999 -1.661 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.956 -7.106 -0.401 1.00 18.75 H new ATOM 556 N GLY A 35 -9.466 -6.750 -5.524 1.00 7.22 N ATOM 557 CA GLY A 35 -10.593 -6.233 -6.287 1.00 6.29 C ATOM 558 C GLY A 35 -10.957 -4.839 -5.883 1.00 6.93 C ATOM 559 O GLY A 35 -12.012 -4.255 -6.298 1.00 7.41 O ATOM 0 H GLY A 35 -8.613 -6.739 -6.083 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.349 -6.250 -7.349 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.454 -6.886 -6.148 1.00 6.29 H new ATOM 563 N ILE A 36 -10.153 -4.212 -4.994 1.00 5.86 N ATOM 564 CA ILE A 36 -10.533 -2.926 -4.364 1.00 6.07 C ATOM 565 C ILE A 36 -9.966 -1.745 -5.136 1.00 6.36 C ATOM 566 O ILE A 36 -8.746 -1.731 -5.235 1.00 6.18 O ATOM 567 CB ILE A 36 -9.828 -2.700 -2.974 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.271 -3.846 -2.017 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.101 -1.298 -2.370 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.338 -3.818 -0.814 1.00 9.49 C ATOM 0 H ILE A 36 -9.245 -4.571 -4.699 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.621 -2.979 -4.313 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.748 -2.729 -3.118 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.306 -3.707 -1.704 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.218 -4.810 -2.522 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.587 -1.208 -1.413 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.736 -0.530 -3.052 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.173 -1.169 -2.219 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.618 -4.609 -0.118 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.311 -3.973 -1.146 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.416 -2.852 -0.315 1.00 9.49 H new ATOM 582 N PRO A 37 -10.738 -0.797 -5.637 1.00 8.65 N ATOM 583 CA PRO A 37 -10.269 0.466 -6.254 1.00 9.18 C ATOM 584 C PRO A 37 -9.129 1.179 -5.490 1.00 9.85 C ATOM 585 O PRO A 37 -9.105 1.190 -4.272 1.00 8.51 O ATOM 586 CB PRO A 37 -11.448 1.342 -6.270 1.00 11.42 C ATOM 587 CG PRO A 37 -12.621 0.279 -6.419 1.00 9.27 C ATOM 588 CD PRO A 37 -12.186 -0.818 -5.517 1.00 8.33 C ATOM 0 HA PRO A 37 -9.852 0.242 -7.236 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.538 1.928 -5.355 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.425 2.048 -7.100 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.583 0.693 -6.118 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.729 -0.062 -7.448 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.507 -0.645 -4.490 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.601 -1.778 -5.823 1.00 8.33 H new ATOM 596 N PRO A 38 -8.207 1.844 -6.142 1.00 8.71 N ATOM 597 CA PRO A 38 -7.201 2.611 -5.455 1.00 9.08 C ATOM 598 C PRO A 38 -7.731 3.817 -4.804 1.00 9.28 C ATOM 599 O PRO A 38 -7.103 4.295 -3.900 1.00 6.50 O ATOM 600 CB PRO A 38 -6.150 2.872 -6.624 1.00 10.31 C ATOM 601 CG PRO A 38 -6.251 1.645 -7.505 1.00 10.81 C ATOM 602 CD PRO A 38 -7.755 1.340 -7.428 1.00 12.00 C ATOM 0 HA PRO A 38 -6.755 2.107 -4.598 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.390 3.779 -7.178 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.141 2.996 -6.230 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.924 1.844 -8.526 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.645 0.820 -7.131 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.292 1.822 -8.245 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.940 0.269 -7.513 1.00 12.00 H new ATOM 610 N ASP A 39 -8.952 4.246 -5.180 1.00 11.20 N ATOM 611 CA ASP A 39 -9.661 5.300 -4.544 1.00 14.96 C ATOM 612 C ASP A 39 -10.121 4.947 -3.071 1.00 13.99 C ATOM 613 O ASP A 39 -10.208 5.786 -2.188 1.00 13.75 O ATOM 614 CB ASP A 39 -10.893 5.714 -5.414 1.00 24.16 C ATOM 615 CG ASP A 39 -11.530 6.983 -4.879 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.911 8.067 -5.136 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.662 6.932 -4.358 1.00 35.55 O ATOM 0 H ASP A 39 -9.461 3.835 -5.963 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.969 6.137 -4.456 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.579 5.867 -6.447 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.627 4.908 -5.420 1.00 24.16 H new ATOM 622 N GLN A 40 -10.258 3.650 -2.791 1.00 11.60 N ATOM 623 CA GLN A 40 -10.783 3.306 -1.419 1.00 10.76 C ATOM 624 C GLN A 40 -9.625 2.965 -0.445 1.00 8.01 C ATOM 625 O GLN A 40 -9.903 2.639 0.734 1.00 8.96 O ATOM 626 CB GLN A 40 -11.810 2.138 -1.495 1.00 11.14 C ATOM 627 CG GLN A 40 -13.024 2.592 -2.260 1.00 14.85 C ATOM 628 CD GLN A 40 -14.032 1.434 -2.342 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.476 1.043 -3.415 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.397 0.841 -1.137 1.00 18.16 N ATOM 0 H GLN A 40 -10.044 2.869 -3.411 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.298 4.184 -1.028 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.360 1.274 -1.984 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.095 1.823 -0.491 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.479 3.451 -1.767 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.738 2.913 -3.262 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.010 1.189 -0.260 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.051 0.058 -1.131 1.00 18.16 H new ATOM 639 N GLN A 41 -8.346 3.168 -0.856 1.00 6.52 N ATOM 640 CA GLN A 41 -7.175 2.661 -0.188 1.00 3.87 C ATOM 641 C GLN A 41 -6.366 3.664 0.565 1.00 4.79 C ATOM 642 O GLN A 41 -5.753 4.588 0.051 1.00 6.34 O ATOM 643 CB GLN A 41 -6.250 1.921 -1.193 1.00 4.20 C ATOM 644 CG GLN A 41 -6.850 0.561 -1.727 1.00 3.20 C ATOM 645 CD GLN A 41 -5.803 -0.131 -2.604 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.671 -0.153 -2.121 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.219 -0.644 -3.763 1.00 7.13 N ATOM 0 H GLN A 41 -8.122 3.710 -1.691 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.577 1.982 0.564 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.051 2.577 -2.040 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.292 1.721 -0.712 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.127 -0.082 -0.892 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.758 0.749 -2.300 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.196 -0.551 -4.040 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.560 -1.129 -4.372 1.00 7.13 H new ATOM 656 N ARG A 42 -6.186 3.445 1.870 1.00 5.73 N ATOM 657 CA ARG A 42 -5.264 4.160 2.670 1.00 6.97 C ATOM 658 C ARG A 42 -4.227 3.190 3.135 1.00 7.15 C ATOM 659 O ARG A 42 -4.462 2.111 3.706 1.00 7.33 O ATOM 660 CB ARG A 42 -5.902 4.841 3.945 1.00 13.23 C ATOM 661 CG ARG A 42 -6.983 5.867 3.631 1.00 21.27 C ATOM 662 CD ARG A 42 -7.801 6.263 4.869 1.00 26.14 C ATOM 663 NE ARG A 42 -8.567 7.485 4.611 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.729 7.773 5.243 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.359 6.884 6.013 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.349 8.955 5.018 1.00 36.39 N ATOM 0 H ARG A 42 -6.707 2.738 2.388 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.862 4.965 2.055 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.327 4.066 4.583 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.112 5.326 4.517 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.520 6.758 3.206 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.653 5.463 2.872 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.478 5.453 5.139 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.135 6.417 5.718 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.209 8.149 3.924 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.966 5.951 6.141 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.233 7.137 6.474 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.941 9.630 4.372 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.224 9.171 5.495 1.00 36.39 H new ATOM 680 N LEU A 43 -2.932 3.474 2.832 1.00 4.65 N ATOM 681 CA LEU A 43 -1.829 2.620 3.198 1.00 3.51 C ATOM 682 C LEU A 43 -1.014 3.252 4.268 1.00 5.56 C ATOM 683 O LEU A 43 -0.794 4.453 4.197 1.00 4.19 O ATOM 684 CB LEU A 43 -1.033 2.217 1.886 1.00 3.74 C ATOM 685 CG LEU A 43 -1.903 1.441 0.868 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.110 1.250 -0.377 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.275 0.137 1.452 1.00 6.41 C ATOM 0 H LEU A 43 -2.649 4.312 2.324 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.178 1.686 3.639 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.644 3.118 1.412 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.173 1.606 2.162 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.814 1.992 0.634 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.706 0.704 -1.108 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.835 2.222 -0.786 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.207 0.683 -0.150 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.889 -0.418 0.742 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.373 -0.433 1.675 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.839 0.297 2.371 1.00 6.41 H new ATOM 699 N ILE A 44 -0.679 2.484 5.308 1.00 4.58 N ATOM 700 CA ILE A 44 -0.108 2.930 6.522 1.00 5.55 C ATOM 701 C ILE A 44 1.245 2.173 6.633 1.00 5.46 C ATOM 702 O ILE A 44 1.266 0.951 6.612 1.00 6.04 O ATOM 703 CB ILE A 44 -1.079 2.687 7.662 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.480 3.259 7.556 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.338 3.196 8.976 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.461 4.768 7.374 1.00 13.90 C ATOM 0 H ILE A 44 -0.820 1.474 5.295 1.00 4.58 H new ATOM 0 HA ILE A 44 0.085 4.002 6.562 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.305 1.621 7.657 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.998 2.798 6.715 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.044 3.008 8.454 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.987 3.049 9.840 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.585 2.632 9.115 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.104 4.256 8.874 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.484 5.139 7.302 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.966 5.231 8.228 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.920 5.018 6.461 1.00 13.90 H new ATOM 718 N PHE A 45 2.325 2.992 6.675 1.00 6.75 N ATOM 719 CA PHE A 45 3.659 2.527 7.134 1.00 4.70 C ATOM 720 C PHE A 45 4.174 3.408 8.275 1.00 6.34 C ATOM 721 O PHE A 45 4.272 4.633 8.139 1.00 5.45 O ATOM 722 CB PHE A 45 4.762 2.515 5.998 1.00 5.51 C ATOM 723 CG PHE A 45 6.030 1.817 6.378 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.032 0.483 6.782 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.230 2.495 6.352 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.237 -0.161 7.052 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.432 1.899 6.699 1.00 6.64 C ATOM 728 CZ PHE A 45 8.438 0.540 7.054 1.00 6.84 C ATOM 0 H PHE A 45 2.300 3.973 6.398 1.00 6.75 H new ATOM 0 HA PHE A 45 3.502 1.499 7.462 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.348 2.035 5.111 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.995 3.544 5.724 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.099 -0.051 6.886 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.234 3.532 6.049 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.239 -1.220 7.263 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.349 2.470 6.697 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.360 0.047 7.324 1.00 6.84 H new ATOM 738 N ALA A 46 4.399 2.743 9.487 1.00 6.53 N ATOM 739 CA ALA A 46 4.920 3.437 10.688 1.00 7.15 C ATOM 740 C ALA A 46 4.094 4.627 11.223 1.00 9.00 C ATOM 741 O ALA A 46 4.495 5.621 11.820 1.00 11.15 O ATOM 742 CB ALA A 46 6.459 3.776 10.496 1.00 8.99 C ATOM 0 H ALA A 46 4.222 1.748 9.626 1.00 6.53 H new ATOM 0 HA ALA A 46 4.805 2.720 11.501 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.833 4.286 11.384 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.019 2.853 10.345 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.584 4.422 9.627 1.00 8.99 H new ATOM 748 N GLY A 47 2.770 4.471 11.060 1.00 9.35 N ATOM 749 CA GLY A 47 1.693 5.409 11.370 1.00 11.68 C ATOM 750 C GLY A 47 1.441 6.484 10.412 1.00 11.14 C ATOM 751 O GLY A 47 0.493 7.256 10.624 1.00 13.93 O ATOM 0 H GLY A 47 2.399 3.604 10.672 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.772 4.838 11.486 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.910 5.863 12.337 1.00 11.68 H new ATOM 755 N LYS A 48 2.223 6.534 9.335 1.00 10.47 N ATOM 756 CA LYS A 48 2.155 7.587 8.319 1.00 8.82 C ATOM 757 C LYS A 48 1.392 7.091 7.086 1.00 7.68 C ATOM 758 O LYS A 48 1.702 6.015 6.524 1.00 6.47 O ATOM 759 CB LYS A 48 3.638 7.916 7.862 1.00 9.74 C ATOM 760 CG LYS A 48 4.485 8.609 8.959 1.00 14.14 C ATOM 761 CD LYS A 48 5.917 8.953 8.487 1.00 16.32 C ATOM 762 CE LYS A 48 6.833 7.716 8.370 1.00 20.04 C ATOM 763 NZ LYS A 48 8.180 8.172 8.060 1.00 23.92 N ATOM 0 H LYS A 48 2.936 5.831 9.139 1.00 10.47 H new ATOM 0 HA LYS A 48 1.650 8.459 8.736 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.131 6.991 7.564 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.604 8.557 6.981 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.983 9.523 9.275 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.542 7.959 9.832 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.864 9.450 7.519 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.362 9.662 9.185 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.829 7.151 9.302 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.470 7.047 7.590 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.814 7.352 7.977 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.171 8.695 7.161 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.519 8.796 8.820 1.00 23.92 H new ATOM 777 N GLN A 49 0.366 7.930 6.600 1.00 8.89 N ATOM 778 CA GLN A 49 -0.488 7.628 5.479 1.00 7.18 C ATOM 779 C GLN A 49 0.218 7.992 4.171 1.00 8.23 C ATOM 780 O GLN A 49 0.423 9.147 3.727 1.00 9.70 O ATOM 781 CB GLN A 49 -1.775 8.425 5.531 1.00 11.67 C ATOM 782 CG GLN A 49 -2.739 7.864 4.445 1.00 15.82 C ATOM 783 CD GLN A 49 -4.169 8.417 4.344 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.998 8.076 5.202 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.413 9.163 3.273 1.00 20.67 N ATOM 0 H GLN A 49 0.156 8.833 7.025 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.712 6.562 5.526 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.230 8.349 6.519 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.575 9.482 5.353 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.262 8.013 3.476 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.815 6.788 4.600 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.658 9.388 2.625 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.356 9.511 3.098 1.00 20.67 H new ATOM 794 N LEU A 50 0.637 6.913 3.423 1.00 6.51 N ATOM 795 CA LEU A 50 1.429 7.012 2.212 1.00 7.41 C ATOM 796 C LEU A 50 0.752 7.766 1.041 1.00 8.27 C ATOM 797 O LEU A 50 -0.416 7.587 0.683 1.00 8.34 O ATOM 798 CB LEU A 50 1.928 5.611 1.696 1.00 7.13 C ATOM 799 CG LEU A 50 2.563 4.749 2.835 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.711 3.314 2.400 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.921 5.380 3.401 1.00 9.11 C ATOM 0 H LEU A 50 0.413 5.951 3.676 1.00 6.51 H new ATOM 0 HA LEU A 50 2.280 7.614 2.530 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.090 5.069 1.258 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.662 5.759 0.904 1.00 7.13 H new ATOM 0 HG LEU A 50 1.875 4.758 3.680 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.155 2.733 3.208 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.731 2.905 2.155 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.355 3.265 1.522 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.318 4.741 4.189 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.650 5.457 2.594 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.720 6.372 3.805 1.00 9.11 H new ATOM 813 N GLU A 51 1.547 8.636 0.414 1.00 9.43 N ATOM 814 CA GLU A 51 1.133 9.491 -0.624 1.00 11.90 C ATOM 815 C GLU A 51 1.377 8.720 -1.887 1.00 11.49 C ATOM 816 O GLU A 51 2.536 8.456 -2.275 1.00 9.88 O ATOM 817 CB GLU A 51 1.810 10.908 -0.496 1.00 16.56 C ATOM 818 CG GLU A 51 1.404 11.682 0.760 1.00 26.06 C ATOM 819 CD GLU A 51 2.398 12.808 1.184 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.740 13.767 0.420 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.875 12.700 2.338 1.00 33.44 O ATOM 0 H GLU A 51 2.534 8.744 0.650 1.00 9.43 H new ATOM 0 HA GLU A 51 0.076 9.756 -0.596 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.893 10.783 -0.499 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.555 11.501 -1.374 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.423 12.126 0.595 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.300 10.978 1.586 1.00 26.06 H new ATOM 828 N ASP A 52 0.283 8.627 -2.653 1.00 12.71 N ATOM 829 CA ASP A 52 0.194 8.029 -3.978 1.00 16.56 C ATOM 830 C ASP A 52 1.382 8.256 -4.936 1.00 15.83 C ATOM 831 O ASP A 52 1.867 7.257 -5.500 1.00 17.21 O ATOM 832 CB ASP A 52 -1.113 8.650 -4.659 1.00 21.05 C ATOM 833 CG ASP A 52 -2.461 8.254 -3.997 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.745 7.040 -3.863 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.179 9.191 -3.550 1.00 28.37 O ATOM 0 H ASP A 52 -0.616 8.992 -2.339 1.00 12.71 H new ATOM 0 HA ASP A 52 0.178 6.950 -3.822 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.027 9.737 -4.647 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.137 8.344 -5.705 1.00 21.05 H new ATOM 840 N GLY A 53 1.863 9.523 -5.058 1.00 15.00 N ATOM 841 CA GLY A 53 2.919 9.820 -6.016 1.00 11.77 C ATOM 842 C GLY A 53 4.280 9.562 -5.673 1.00 11.10 C ATOM 843 O GLY A 53 5.168 9.868 -6.496 1.00 11.25 O ATOM 0 H GLY A 53 1.536 10.322 -4.514 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.701 9.259 -6.925 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.842 10.878 -6.268 1.00 11.77 H new ATOM 847 N ARG A 54 4.559 9.109 -4.447 1.00 8.53 N ATOM 848 CA ARG A 54 5.886 8.905 -3.851 1.00 9.05 C ATOM 849 C ARG A 54 6.305 7.445 -4.071 1.00 8.96 C ATOM 850 O ARG A 54 5.472 6.623 -4.462 1.00 11.60 O ATOM 851 CB ARG A 54 6.072 9.408 -2.384 1.00 7.97 C ATOM 852 CG ARG A 54 5.507 10.787 -2.046 1.00 9.62 C ATOM 853 CD ARG A 54 5.686 11.050 -0.562 1.00 12.20 C ATOM 854 NE ARG A 54 5.189 12.433 -0.262 1.00 18.23 N ATOM 855 CZ ARG A 54 5.934 13.521 0.006 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.245 13.488 -0.076 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.277 14.618 0.323 1.00 23.38 N ATOM 0 H ARG A 54 3.813 8.857 -3.799 1.00 8.53 H new ATOM 0 HA ARG A 54 6.575 9.566 -4.377 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.612 8.680 -1.716 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.139 9.415 -2.161 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.017 11.555 -2.628 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.451 10.835 -2.311 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.134 10.314 0.023 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.736 10.956 -0.284 1.00 12.20 H new ATOM 0 HE ARG A 54 4.177 12.563 -0.261 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.717 12.626 -0.347 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.790 14.325 0.132 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.258 14.611 0.355 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.788 15.475 0.537 1.00 23.38 H new ATOM 871 N THR A 55 7.583 7.049 -3.805 1.00 9.05 N ATOM 872 CA THR A 55 8.187 5.696 -3.944 1.00 9.03 C ATOM 873 C THR A 55 8.339 5.037 -2.569 1.00 8.15 C ATOM 874 O THR A 55 8.312 5.632 -1.486 1.00 5.91 O ATOM 875 CB THR A 55 9.538 5.671 -4.685 1.00 11.15 C ATOM 876 OG1 THR A 55 10.626 6.186 -3.931 1.00 11.95 O ATOM 877 CG2 THR A 55 9.337 6.476 -5.992 1.00 11.71 C ATOM 0 H THR A 55 8.268 7.722 -3.461 1.00 9.05 H new ATOM 0 HA THR A 55 7.492 5.132 -4.566 1.00 9.03 H new ATOM 0 HB THR A 55 9.815 4.635 -4.878 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.541 7.160 -3.858 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.269 6.490 -6.558 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.556 6.008 -6.591 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.045 7.498 -5.749 1.00 11.71 H new ATOM 885 N LEU A 56 8.368 3.677 -2.551 1.00 6.91 N ATOM 886 CA LEU A 56 8.789 2.786 -1.459 1.00 8.29 C ATOM 887 C LEU A 56 10.089 3.292 -0.703 1.00 8.05 C ATOM 888 O LEU A 56 10.076 3.453 0.541 1.00 10.17 O ATOM 889 CB LEU A 56 8.852 1.282 -1.881 1.00 6.60 C ATOM 890 CG LEU A 56 7.515 0.789 -2.292 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.582 -0.591 -2.923 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.490 0.721 -1.119 1.00 8.64 C ATOM 0 H LEU A 56 8.073 3.143 -3.368 1.00 6.91 H new ATOM 0 HA LEU A 56 7.994 2.838 -0.716 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.557 1.161 -2.703 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.225 0.683 -1.050 1.00 6.60 H new ATOM 0 HG LEU A 56 7.173 1.524 -3.020 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.579 -0.910 -3.208 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.217 -0.556 -3.808 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.998 -1.299 -2.206 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.534 0.352 -1.492 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.863 0.047 -0.348 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.355 1.716 -0.696 1.00 8.64 H new ATOM 904 N SER A 57 11.133 3.618 -1.474 1.00 8.92 N ATOM 905 CA SER A 57 12.410 4.131 -1.041 1.00 9.00 C ATOM 906 C SER A 57 12.409 5.467 -0.280 1.00 9.44 C ATOM 907 O SER A 57 13.101 5.634 0.671 1.00 10.91 O ATOM 908 CB SER A 57 13.371 4.299 -2.244 1.00 10.32 C ATOM 909 OG SER A 57 14.718 4.760 -1.908 1.00 13.59 O ATOM 0 H SER A 57 11.090 3.518 -2.488 1.00 8.92 H new ATOM 0 HA SER A 57 12.734 3.371 -0.330 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.450 3.343 -2.761 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.928 5.005 -2.946 1.00 10.32 H new ATOM 0 HG SER A 57 15.252 4.835 -2.726 1.00 13.59 H new ATOM 915 N ASP A 58 11.471 6.335 -0.628 1.00 9.11 N ATOM 916 CA ASP A 58 11.305 7.641 -0.019 1.00 7.91 C ATOM 917 C ASP A 58 10.743 7.566 1.369 1.00 9.12 C ATOM 918 O ASP A 58 10.748 8.478 2.134 1.00 8.61 O ATOM 919 CB ASP A 58 10.234 8.452 -0.687 1.00 8.41 C ATOM 920 CG ASP A 58 10.618 8.829 -2.089 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.622 9.585 -2.261 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.836 8.549 -3.033 1.00 11.70 O ATOM 0 H ASP A 58 10.788 6.143 -1.361 1.00 9.11 H new ATOM 0 HA ASP A 58 12.308 8.063 -0.081 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.304 7.883 -0.704 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.045 9.355 -0.106 1.00 8.41 H new ATOM 927 N TYR A 59 10.254 6.405 1.719 1.00 7.97 N ATOM 928 CA TYR A 59 9.630 6.144 3.036 1.00 8.45 C ATOM 929 C TYR A 59 10.402 5.193 3.941 1.00 10.98 C ATOM 930 O TYR A 59 10.018 4.912 5.079 1.00 12.95 O ATOM 931 CB TYR A 59 8.302 5.493 2.911 1.00 7.94 C ATOM 932 CG TYR A 59 7.230 6.511 2.583 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.881 7.539 3.498 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.581 6.472 1.312 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.839 8.403 3.179 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.492 7.335 1.032 1.00 6.52 C ATOM 937 CZ TYR A 59 5.135 8.283 1.988 1.00 6.76 C ATOM 938 OH TYR A 59 4.088 9.117 1.736 1.00 7.63 O ATOM 0 H TYR A 59 10.267 5.590 1.106 1.00 7.97 H new ATOM 0 HA TYR A 59 9.592 7.145 3.465 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.337 4.732 2.131 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.053 4.984 3.842 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.417 7.648 4.429 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.923 5.779 0.557 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.571 9.185 3.874 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.952 7.259 0.100 1.00 6.52 H new ATOM 0 HH TYR A 59 4.240 9.977 2.181 1.00 7.63 H new ATOM 948 N ASN A 60 11.524 4.678 3.501 1.00 12.38 N ATOM 949 CA ASN A 60 12.377 3.759 4.189 1.00 13.94 C ATOM 950 C ASN A 60 11.689 2.380 4.307 1.00 14.16 C ATOM 951 O ASN A 60 11.837 1.698 5.336 1.00 14.26 O ATOM 952 CB ASN A 60 12.972 4.270 5.545 1.00 19.23 C ATOM 953 CG ASN A 60 13.621 5.631 5.273 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.330 6.555 6.005 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.457 5.750 4.196 1.00 24.09 N ATOM 0 H ASN A 60 11.887 4.914 2.578 1.00 12.38 H new ATOM 0 HA ASN A 60 13.267 3.656 3.569 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.189 4.361 6.298 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.707 3.564 5.933 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.874 6.653 3.971 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.663 4.935 3.618 1.00 24.09 H new ATOM 962 N ILE A 61 10.965 1.934 3.268 1.00 11.08 N ATOM 963 CA ILE A 61 10.385 0.639 3.164 1.00 11.78 C ATOM 964 C ILE A 61 11.451 -0.285 2.637 1.00 13.74 C ATOM 965 O ILE A 61 11.900 -0.085 1.494 1.00 14.60 O ATOM 966 CB ILE A 61 9.132 0.612 2.288 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.020 1.363 3.004 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.611 -0.852 1.973 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.821 1.717 2.036 1.00 11.42 C ATOM 0 H ILE A 61 10.775 2.516 2.452 1.00 11.08 H new ATOM 0 HA ILE A 61 10.042 0.316 4.147 1.00 11.78 H new ATOM 0 HB ILE A 61 9.402 1.075 1.339 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.650 0.759 3.832 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.421 2.281 3.434 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.720 -0.794 1.348 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.387 -1.409 1.449 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.367 -1.360 2.906 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.051 2.253 2.591 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.184 2.344 1.222 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.400 0.798 1.627 1.00 11.42 H new ATOM 981 N GLN A 62 11.895 -1.220 3.490 1.00 13.97 N ATOM 982 CA GLN A 62 12.833 -2.321 3.227 1.00 15.52 C ATOM 983 C GLN A 62 12.102 -3.635 3.112 1.00 13.94 C ATOM 984 O GLN A 62 10.899 -3.725 3.171 1.00 12.15 O ATOM 985 CB GLN A 62 13.973 -2.237 4.296 1.00 19.53 C ATOM 986 CG GLN A 62 13.493 -2.638 5.692 1.00 26.38 C ATOM 987 CD GLN A 62 14.637 -2.715 6.657 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.945 -3.734 7.256 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.365 -1.598 6.838 1.00 32.71 N ATOM 0 H GLN A 62 11.582 -1.226 4.461 1.00 13.97 H new ATOM 0 HA GLN A 62 13.320 -2.236 2.256 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.796 -2.886 3.997 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.364 -1.220 4.327 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.760 -1.914 6.049 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.990 -3.604 5.643 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.117 -0.742 6.343 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.165 -1.608 7.470 1.00 32.71 H new ATOM 998 N LYS A 63 12.804 -4.750 2.747 1.00 11.73 N ATOM 999 CA LYS A 63 12.219 -6.095 2.529 1.00 11.97 C ATOM 1000 C LYS A 63 11.433 -6.697 3.694 1.00 10.41 C ATOM 1001 O LYS A 63 11.870 -6.567 4.847 1.00 9.59 O ATOM 1002 CB LYS A 63 13.316 -7.125 2.063 1.00 13.73 C ATOM 1003 CG LYS A 63 14.273 -7.420 3.245 1.00 16.98 C ATOM 1004 CD LYS A 63 15.401 -8.461 3.060 1.00 20.19 C ATOM 1005 CE LYS A 63 16.389 -8.172 1.930 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.411 -9.252 1.850 1.00 25.97 N ATOM 0 H LYS A 63 13.812 -4.730 2.595 1.00 11.73 H new ATOM 0 HA LYS A 63 11.482 -5.915 1.746 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.845 -8.047 1.722 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.875 -6.722 1.219 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.740 -6.478 3.532 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.663 -7.744 4.088 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.957 -8.537 3.994 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.946 -9.435 2.880 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.856 -8.095 0.982 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.877 -7.212 2.100 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.076 -9.044 1.078 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.930 -9.306 2.750 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.941 -10.161 1.666 1.00 25.97 H new ATOM 1020 N GLU A 64 10.285 -7.296 3.273 1.00 10.04 N ATOM 1021 CA GLU A 64 9.446 -8.057 4.191 1.00 10.94 C ATOM 1022 C GLU A 64 8.663 -7.138 5.109 1.00 9.74 C ATOM 1023 O GLU A 64 7.934 -7.601 5.992 1.00 9.42 O ATOM 1024 CB GLU A 64 10.178 -9.192 4.941 1.00 18.31 C ATOM 1025 CG GLU A 64 10.893 -10.098 3.957 1.00 24.16 C ATOM 1026 CD GLU A 64 11.520 -11.290 4.621 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.800 -12.147 5.206 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.774 -11.370 4.575 1.00 31.72 O ATOM 0 H GLU A 64 9.938 -7.258 2.315 1.00 10.04 H new ATOM 0 HA GLU A 64 8.726 -8.588 3.568 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.896 -8.769 5.644 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.463 -9.771 5.525 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.185 -10.438 3.201 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.664 -9.528 3.438 1.00 24.16 H new ATOM 1035 N SER A 65 8.682 -5.836 4.730 1.00 6.85 N ATOM 1036 CA SER A 65 7.901 -4.846 5.436 1.00 6.90 C ATOM 1037 C SER A 65 6.413 -5.004 5.238 1.00 4.72 C ATOM 1038 O SER A 65 5.944 -5.303 4.168 1.00 3.91 O ATOM 1039 CB SER A 65 8.144 -3.423 4.986 1.00 7.28 C ATOM 1040 OG SER A 65 9.500 -3.028 5.243 1.00 10.56 O ATOM 0 H SER A 65 9.228 -5.472 3.949 1.00 6.85 H new ATOM 0 HA SER A 65 8.220 -5.016 6.464 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.931 -3.333 3.921 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.461 -2.751 5.506 1.00 7.28 H new ATOM 0 HG SER A 65 10.069 -3.305 4.495 1.00 10.56 H new ATOM 1046 N THR A 66 5.680 -4.743 6.332 1.00 4.48 N ATOM 1047 CA THR A 66 4.232 -4.859 6.391 1.00 3.80 C ATOM 1048 C THR A 66 3.703 -3.510 6.239 1.00 4.60 C ATOM 1049 O THR A 66 4.009 -2.636 7.056 1.00 5.33 O ATOM 1050 CB THR A 66 3.676 -5.540 7.627 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.120 -6.879 7.703 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.120 -5.630 7.528 1.00 3.40 C ATOM 0 H THR A 66 6.095 -4.440 7.213 1.00 4.48 H new ATOM 0 HA THR A 66 3.913 -5.525 5.589 1.00 3.80 H new ATOM 0 HB THR A 66 4.006 -4.959 8.488 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.752 -7.300 8.508 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.726 -6.120 8.419 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.702 -4.626 7.451 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.844 -6.206 6.645 1.00 3.40 H new ATOM 1060 N LEU A 67 2.902 -3.278 5.195 1.00 4.17 N ATOM 1061 CA LEU A 67 2.067 -2.159 5.121 1.00 3.85 C ATOM 1062 C LEU A 67 0.634 -2.635 5.595 1.00 3.80 C ATOM 1063 O LEU A 67 0.044 -3.592 5.158 1.00 5.54 O ATOM 1064 CB LEU A 67 1.840 -1.702 3.669 1.00 7.18 C ATOM 1065 CG LEU A 67 3.014 -0.923 2.975 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.426 -1.516 3.097 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.653 -0.822 1.498 1.00 11.66 C ATOM 0 H LEU A 67 2.842 -3.894 4.384 1.00 4.17 H new ATOM 0 HA LEU A 67 2.520 -1.360 5.708 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.616 -2.583 3.068 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.954 -1.068 3.648 1.00 7.18 H new ATOM 0 HG LEU A 67 3.090 0.030 3.498 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.136 -0.877 2.572 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.704 -1.580 4.149 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.441 -2.513 2.657 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.440 -0.287 0.967 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.549 -1.823 1.080 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.711 -0.284 1.390 1.00 11.66 H new ATOM 1079 N HIS A 68 0.059 -1.803 6.476 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.397 -1.847 6.870 1.00 4.17 C ATOM 1081 C HIS A 68 -2.233 -1.154 5.825 1.00 5.32 C ATOM 1082 O HIS A 68 -1.855 -0.164 5.211 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.669 -1.331 8.269 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.466 -2.456 9.272 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.244 -2.965 9.590 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.340 -3.297 9.955 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.463 -4.010 10.413 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.718 -4.281 10.622 1.00 16.30 N ATOM 0 H HIS A 68 0.579 -1.066 6.952 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.689 -2.896 6.910 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.002 -0.500 8.498 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.688 -0.949 8.336 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.412 -3.170 9.949 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.339 -4.577 10.863 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.126 -5.047 11.157 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.387 -1.772 5.513 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.287 -1.202 4.511 1.00 3.97 C ATOM 1098 C LEU A 69 -5.595 -1.085 5.279 1.00 5.07 C ATOM 1099 O LEU A 69 -6.105 -2.039 5.865 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.457 -2.111 3.181 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.704 -1.899 2.358 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.899 -0.430 1.861 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.625 -2.858 1.221 1.00 9.96 C ATOM 0 H LEU A 69 -3.707 -2.645 5.932 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.910 -0.260 4.113 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.594 -1.935 2.539 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.424 -3.158 3.481 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.580 -2.080 2.980 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.817 -0.362 1.278 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.964 0.239 2.719 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.052 -0.141 1.239 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.507 -2.747 0.590 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.730 -2.653 0.634 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.580 -3.877 1.607 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.169 0.148 5.400 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.481 0.523 5.873 1.00 6.26 C ATOM 1117 C VAL A 70 -8.232 1.271 4.796 1.00 9.22 C ATOM 1118 O VAL A 70 -7.695 2.104 4.103 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.570 1.352 7.152 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.591 0.319 8.288 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.490 2.463 7.233 1.00 8.54 C ATOM 0 H VAL A 70 -5.640 0.977 5.130 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.919 -0.443 6.124 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.472 1.961 7.208 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.654 0.834 9.247 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.455 -0.335 8.169 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.679 -0.276 8.255 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.607 3.017 8.165 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.499 2.010 7.202 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.605 3.144 6.390 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.532 0.986 4.611 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.358 1.486 3.583 1.00 16.06 C ATOM 1133 C LEU A 71 -10.998 2.816 3.916 1.00 18.09 C ATOM 1134 O LEU A 71 -11.439 3.106 5.008 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.388 0.516 3.083 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.921 -0.823 2.511 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.133 -1.578 1.957 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.849 -0.653 1.493 1.00 19.57 C ATOM 0 H LEU A 71 -10.034 0.355 5.236 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.660 1.649 2.762 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.069 0.304 3.907 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.969 1.020 2.311 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.473 -1.414 3.310 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.809 -2.535 1.547 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.851 -1.751 2.758 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.602 -0.986 1.171 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.548 -1.630 1.114 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.222 -0.044 0.670 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.990 -0.160 1.948 1.00 19.57 H new