USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.13 USER MOD Set 2.1: A 7 THR OG1 : rot 134:sc= 0.948 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.815 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 150:sc= 0.504 (180deg=-0.0284) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.71 USER MOD Single : A 1 MET CE :methyl -106:sc=-0.00911 (180deg=-0.0666) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.23 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.19) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.128 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.98 (180deg=1.93) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.0483 (180deg=-0.174) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 1.24 (180deg=0.404) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 GLN : amide:sc=-0.00429 K(o=-0.0043,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.355 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0069) 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 78:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.794 -7.360 -4.914 1.00 9.67 N ATOM 2 CA MET A 1 11.645 -7.242 -3.421 1.00 10.38 C ATOM 3 C MET A 1 10.306 -7.786 -2.941 1.00 9.62 C ATOM 4 O MET A 1 9.216 -7.546 -3.491 1.00 9.62 O ATOM 5 CB MET A 1 11.820 -5.740 -2.981 1.00 13.77 C ATOM 6 CG MET A 1 11.936 -5.678 -1.416 1.00 16.29 C ATOM 7 SD MET A 1 12.402 -4.049 -0.759 1.00 17.17 S ATOM 8 CE MET A 1 10.879 -3.063 -1.070 1.00 16.11 C ATOM 0 H1 MET A 1 12.731 -7.011 -5.198 1.00 9.67 H new ATOM 0 H2 MET A 1 11.696 -8.357 -5.195 1.00 9.67 H new ATOM 0 H3 MET A 1 11.057 -6.795 -5.382 1.00 9.67 H new ATOM 0 HA MET A 1 12.425 -7.846 -2.958 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.711 -5.314 -3.442 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.971 -5.147 -3.320 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.980 -5.971 -0.982 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.673 -6.412 -1.090 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.050 -2.383 -1.904 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.054 -3.734 -1.312 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.629 -2.488 -0.178 1.00 16.11 H new ATOM 20 N GLN A 2 10.222 -8.491 -1.813 1.00 9.27 N ATOM 21 CA GLN A 2 8.980 -8.927 -1.190 1.00 9.07 C ATOM 22 C GLN A 2 8.629 -8.017 -0.038 1.00 8.72 C ATOM 23 O GLN A 2 9.478 -7.417 0.692 1.00 8.22 O ATOM 24 CB GLN A 2 9.156 -10.352 -0.603 1.00 14.46 C ATOM 25 CG GLN A 2 7.850 -11.075 -0.171 1.00 17.01 C ATOM 26 CD GLN A 2 7.943 -12.565 0.213 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.705 -12.929 1.327 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.216 -13.438 -0.795 1.00 19.49 N ATOM 0 H GLN A 2 11.049 -8.783 -1.292 1.00 9.27 H new ATOM 0 HA GLN A 2 8.199 -8.910 -1.950 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.662 -10.970 -1.345 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.816 -10.289 0.262 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.435 -10.536 0.681 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.132 -10.984 -0.986 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.414 -13.089 -1.733 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.222 -14.442 -0.613 1.00 19.49 H new ATOM 37 N ILE A 3 7.299 -7.848 0.164 1.00 5.87 N ATOM 38 CA ILE A 3 6.582 -7.089 1.236 1.00 5.07 C ATOM 39 C ILE A 3 5.240 -7.793 1.603 1.00 4.01 C ATOM 40 O ILE A 3 4.728 -8.729 0.961 1.00 4.61 O ATOM 41 CB ILE A 3 6.303 -5.605 0.992 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.702 -5.393 -0.408 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.587 -4.658 1.069 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.857 -4.154 -0.475 1.00 10.83 C ATOM 0 H ILE A 3 6.632 -8.278 -0.477 1.00 5.87 H new ATOM 0 HA ILE A 3 7.302 -7.104 2.054 1.00 5.07 H new ATOM 0 HB ILE A 3 5.621 -5.331 1.797 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.506 -5.324 -1.141 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.098 -6.259 -0.678 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.290 -3.626 0.883 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.036 -4.733 2.059 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.313 -4.968 0.317 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.453 -4.043 -1.481 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.037 -4.234 0.239 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.467 -3.284 -0.231 1.00 10.83 H new ATOM 56 N PHE A 4 4.637 -7.353 2.707 1.00 4.55 N ATOM 57 CA PHE A 4 3.447 -7.895 3.327 1.00 4.68 C ATOM 58 C PHE A 4 2.450 -6.716 3.532 1.00 5.30 C ATOM 59 O PHE A 4 2.821 -5.663 4.038 1.00 5.58 O ATOM 60 CB PHE A 4 3.716 -8.688 4.689 1.00 4.83 C ATOM 61 CG PHE A 4 4.684 -9.832 4.593 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.560 -10.838 3.645 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.861 -9.800 5.359 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.555 -11.749 3.446 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.777 -10.820 5.314 1.00 10.61 C ATOM 66 CZ PHE A 4 6.602 -11.845 4.374 1.00 8.90 C ATOM 0 H PHE A 4 5.000 -6.551 3.222 1.00 4.55 H new ATOM 0 HA PHE A 4 3.029 -8.653 2.665 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.088 -7.982 5.432 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.765 -9.070 5.060 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.658 -10.901 3.054 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.049 -8.951 5.999 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.537 -12.393 2.579 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.618 -10.833 5.991 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.265 -12.698 4.365 1.00 8.90 H new ATOM 76 N VAL A 5 1.208 -6.913 3.101 1.00 4.44 N ATOM 77 CA VAL A 5 0.125 -5.981 3.356 1.00 3.87 C ATOM 78 C VAL A 5 -0.906 -6.698 4.234 1.00 4.93 C ATOM 79 O VAL A 5 -1.459 -7.687 3.889 1.00 6.84 O ATOM 80 CB VAL A 5 -0.508 -5.402 2.045 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.808 -4.596 2.394 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.547 -4.492 1.419 1.00 9.13 C ATOM 0 H VAL A 5 0.927 -7.732 2.561 1.00 4.44 H new ATOM 0 HA VAL A 5 0.516 -5.106 3.875 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.792 -6.193 1.351 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.244 -4.195 1.479 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.526 -5.257 2.880 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.558 -3.775 3.066 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.155 -4.061 0.498 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.798 -3.693 2.116 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.442 -5.073 1.196 1.00 9.13 H new ATOM 92 N LYS A 6 -1.126 -6.174 5.460 1.00 6.04 N ATOM 93 CA LYS A 6 -2.229 -6.580 6.320 1.00 6.12 C ATOM 94 C LYS A 6 -3.486 -5.732 6.228 1.00 6.57 C ATOM 95 O LYS A 6 -3.424 -4.520 6.004 1.00 5.76 O ATOM 96 CB LYS A 6 -1.686 -6.570 7.797 1.00 7.45 C ATOM 97 CG LYS A 6 -0.556 -7.629 8.058 1.00 11.12 C ATOM 98 CD LYS A 6 -0.131 -7.928 9.497 1.00 14.54 C ATOM 99 CE LYS A 6 0.948 -8.956 9.708 1.00 18.84 C ATOM 100 NZ LYS A 6 0.407 -10.283 9.346 1.00 20.55 N ATOM 0 H LYS A 6 -0.532 -5.454 5.871 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.550 -7.566 5.984 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.302 -5.576 8.027 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.514 -6.758 8.481 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.877 -8.569 7.609 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.331 -7.303 7.515 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.202 -6.994 9.949 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.015 -8.251 10.048 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.819 -8.722 9.096 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.278 -8.952 10.747 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.177 -10.887 8.994 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.023 -10.723 10.184 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.314 -10.173 8.604 1.00 20.55 H new ATOM 114 N THR A 7 -4.679 -6.375 6.373 1.00 7.41 N ATOM 115 CA THR A 7 -5.916 -5.683 6.131 1.00 7.48 C ATOM 116 C THR A 7 -6.744 -5.896 7.432 1.00 8.75 C ATOM 117 O THR A 7 -6.383 -6.723 8.260 1.00 8.58 O ATOM 118 CB THR A 7 -6.676 -6.242 4.964 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.166 -7.546 5.265 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.816 -6.320 3.688 1.00 9.17 C ATOM 0 H THR A 7 -4.780 -7.351 6.651 1.00 7.41 H new ATOM 0 HA THR A 7 -5.728 -4.636 5.892 1.00 7.48 H new ATOM 0 HB THR A 7 -7.505 -5.559 4.779 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.104 -7.615 4.988 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.411 -6.731 2.873 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.473 -5.321 3.419 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.955 -6.963 3.868 1.00 9.17 H new ATOM 128 N LEU A 8 -7.841 -5.174 7.584 1.00 9.84 N ATOM 129 CA LEU A 8 -8.806 -5.237 8.633 1.00 14.15 C ATOM 130 C LEU A 8 -10.036 -5.905 8.105 1.00 17.37 C ATOM 131 O LEU A 8 -11.187 -5.758 8.561 1.00 17.01 O ATOM 132 CB LEU A 8 -9.184 -3.878 9.142 1.00 16.63 C ATOM 133 CG LEU A 8 -7.999 -3.069 9.750 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.579 -1.709 10.208 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.383 -3.680 11.046 1.00 18.59 C ATOM 0 H LEU A 8 -8.089 -4.461 6.898 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.366 -5.794 9.460 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.618 -3.304 8.323 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.959 -3.989 9.900 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.227 -3.035 8.981 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.785 -1.103 10.643 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.005 -1.188 9.351 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.356 -1.877 10.953 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.566 -3.048 11.394 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.149 -3.741 11.819 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.003 -4.679 10.832 1.00 18.59 H new ATOM 147 N THR A 9 -9.826 -6.674 7.050 1.00 18.33 N ATOM 148 CA THR A 9 -10.841 -7.450 6.373 1.00 19.24 C ATOM 149 C THR A 9 -10.427 -8.916 6.527 1.00 19.48 C ATOM 150 O THR A 9 -10.983 -9.788 5.850 1.00 23.14 O ATOM 151 CB THR A 9 -11.018 -7.000 4.985 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.763 -7.131 4.280 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.437 -5.569 4.933 1.00 19.70 C ATOM 0 H THR A 9 -8.903 -6.776 6.627 1.00 18.33 H new ATOM 0 HA THR A 9 -11.831 -7.317 6.809 1.00 19.24 H new ATOM 0 HB THR A 9 -11.791 -7.614 4.524 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.876 -6.834 3.353 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.560 -5.264 3.894 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.382 -5.447 5.462 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.675 -4.949 5.405 1.00 19.70 H new ATOM 161 N GLY A 10 -9.519 -9.210 7.471 1.00 19.43 N ATOM 162 CA GLY A 10 -9.161 -10.587 7.852 1.00 18.74 C ATOM 163 C GLY A 10 -8.191 -11.342 7.066 1.00 17.62 C ATOM 164 O GLY A 10 -8.382 -12.504 6.800 1.00 19.74 O ATOM 0 H GLY A 10 -9.010 -8.497 7.994 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.788 -10.552 8.876 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -10.084 -11.167 7.868 1.00 18.74 H new ATOM 168 N LYS A 11 -7.125 -10.706 6.573 1.00 13.56 N ATOM 169 CA LYS A 11 -6.177 -11.303 5.602 1.00 11.91 C ATOM 170 C LYS A 11 -4.775 -10.616 5.731 1.00 10.18 C ATOM 171 O LYS A 11 -4.666 -9.495 6.217 1.00 9.10 O ATOM 172 CB LYS A 11 -6.714 -11.198 4.127 1.00 13.43 C ATOM 173 CG LYS A 11 -5.985 -12.098 3.082 1.00 16.69 C ATOM 174 CD LYS A 11 -6.748 -12.534 1.813 1.00 17.92 C ATOM 175 CE LYS A 11 -7.224 -11.398 0.941 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.179 -12.007 -0.061 1.00 21.93 N ATOM 0 H LYS A 11 -6.885 -9.750 6.834 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.077 -12.363 5.836 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.773 -11.454 4.125 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.637 -10.160 3.804 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.087 -11.570 2.762 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.657 -13.001 3.596 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.101 -13.182 1.221 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.610 -13.131 2.111 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.721 -10.632 1.536 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.386 -10.916 0.437 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.514 -11.270 -0.714 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.690 -12.750 -0.600 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.991 -12.421 0.440 1.00 21.93 H new ATOM 190 N THR A 12 -3.704 -11.304 5.299 1.00 9.63 N ATOM 191 CA THR A 12 -2.360 -10.807 5.077 1.00 9.85 C ATOM 192 C THR A 12 -2.034 -11.289 3.707 1.00 11.66 C ATOM 193 O THR A 12 -2.253 -12.424 3.373 1.00 12.33 O ATOM 194 CB THR A 12 -1.277 -11.343 5.960 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.461 -11.049 7.363 1.00 10.91 O ATOM 196 CG2 THR A 12 0.133 -10.862 5.598 1.00 9.63 C ATOM 0 H THR A 12 -3.775 -12.298 5.083 1.00 9.63 H new ATOM 0 HA THR A 12 -2.377 -9.733 5.263 1.00 9.85 H new ATOM 0 HB THR A 12 -1.361 -12.415 5.783 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.207 -11.831 7.897 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.855 -11.299 6.288 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.372 -11.170 4.580 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.176 -9.775 5.668 1.00 9.63 H new ATOM 204 N ILE A 13 -1.529 -10.405 2.810 1.00 10.42 N ATOM 205 CA ILE A 13 -1.166 -10.737 1.470 1.00 11.84 C ATOM 206 C ILE A 13 0.278 -10.374 1.311 1.00 10.55 C ATOM 207 O ILE A 13 0.855 -9.495 1.952 1.00 11.92 O ATOM 208 CB ILE A 13 -2.072 -10.164 0.393 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.022 -8.613 0.454 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.457 -10.749 0.496 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.575 -7.982 -0.824 1.00 16.46 C ATOM 0 H ILE A 13 -1.371 -9.423 3.036 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.309 -11.806 1.315 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.719 -10.448 -0.599 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.597 -8.263 1.311 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.993 -8.287 0.606 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.090 -10.326 -0.284 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.405 -11.831 0.374 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.879 -10.514 1.473 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.524 -6.896 -0.745 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.984 -8.312 -1.678 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.612 -8.288 -0.961 1.00 16.46 H new ATOM 223 N THR A 14 0.891 -11.026 0.310 1.00 9.39 N ATOM 224 CA THR A 14 2.305 -10.855 -0.098 1.00 9.63 C ATOM 225 C THR A 14 2.364 -10.227 -1.513 1.00 11.20 C ATOM 226 O THR A 14 1.684 -10.651 -2.442 1.00 11.63 O ATOM 227 CB THR A 14 2.994 -12.242 -0.195 1.00 10.38 C ATOM 228 OG1 THR A 14 3.089 -12.800 1.106 1.00 16.30 O ATOM 229 CG2 THR A 14 4.460 -12.169 -0.735 1.00 11.66 C ATOM 0 H THR A 14 0.402 -11.714 -0.262 1.00 9.39 H new ATOM 0 HA THR A 14 2.801 -10.221 0.637 1.00 9.63 H new ATOM 0 HB THR A 14 2.388 -12.834 -0.881 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.718 -12.274 1.642 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.882 -13.173 -0.778 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.458 -11.733 -1.734 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.062 -11.550 -0.070 1.00 11.66 H new ATOM 237 N LEU A 15 3.197 -9.271 -1.669 1.00 8.29 N ATOM 238 CA LEU A 15 3.341 -8.536 -2.873 1.00 9.03 C ATOM 239 C LEU A 15 4.796 -8.421 -3.220 1.00 8.59 C ATOM 240 O LEU A 15 5.624 -8.263 -2.285 1.00 7.79 O ATOM 241 CB LEU A 15 2.686 -7.097 -2.760 1.00 11.08 C ATOM 242 CG LEU A 15 1.169 -6.991 -2.575 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.710 -5.519 -2.453 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.348 -7.690 -3.688 1.00 15.27 C ATOM 0 H LEU A 15 3.828 -8.962 -0.929 1.00 8.29 H new ATOM 0 HA LEU A 15 2.818 -9.072 -3.665 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.158 -6.584 -1.922 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.948 -6.543 -3.661 1.00 11.08 H new ATOM 0 HG LEU A 15 0.968 -7.520 -1.643 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.372 -5.485 -2.323 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.194 -5.057 -1.592 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.984 -4.976 -3.358 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.716 -7.570 -3.485 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.586 -7.241 -4.652 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.596 -8.751 -3.711 1.00 15.27 H new ATOM 256 N GLU A 16 5.252 -8.619 -4.462 1.00 11.04 N ATOM 257 CA GLU A 16 6.565 -8.350 -4.847 1.00 11.50 C ATOM 258 C GLU A 16 6.635 -7.121 -5.704 1.00 10.13 C ATOM 259 O GLU A 16 5.823 -6.841 -6.582 1.00 9.83 O ATOM 260 CB GLU A 16 7.256 -9.490 -5.605 1.00 17.22 C ATOM 261 CG GLU A 16 7.557 -10.674 -4.634 1.00 23.33 C ATOM 262 CD GLU A 16 8.156 -11.875 -5.301 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.340 -11.813 -5.786 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.514 -12.972 -5.339 1.00 28.86 O ATOM 0 H GLU A 16 4.671 -8.982 -5.218 1.00 11.04 H new ATOM 0 HA GLU A 16 7.095 -8.210 -3.905 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.620 -9.832 -6.422 1.00 17.22 H new ATOM 0 HB3 GLU A 16 8.183 -9.131 -6.052 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.236 -10.327 -3.855 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.631 -10.970 -4.141 1.00 23.33 H new ATOM 271 N VAL A 17 7.540 -6.187 -5.275 1.00 8.99 N ATOM 272 CA VAL A 17 7.636 -4.864 -5.756 1.00 8.85 C ATOM 273 C VAL A 17 9.138 -4.624 -5.990 1.00 8.04 C ATOM 274 O VAL A 17 9.938 -5.425 -5.642 1.00 8.99 O ATOM 275 CB VAL A 17 7.106 -3.844 -4.752 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.622 -4.144 -4.679 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.831 -3.984 -3.427 1.00 10.54 C ATOM 0 H VAL A 17 8.230 -6.394 -4.553 1.00 8.99 H new ATOM 0 HA VAL A 17 7.038 -4.743 -6.659 1.00 8.85 H new ATOM 0 HB VAL A 17 7.273 -2.805 -5.038 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.146 -3.459 -3.977 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.177 -4.020 -5.666 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.474 -5.170 -4.341 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.443 -3.250 -2.721 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.675 -4.987 -3.031 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.897 -3.815 -3.576 1.00 10.54 H new ATOM 287 N GLU A 18 9.575 -3.495 -6.614 1.00 7.29 N ATOM 288 CA GLU A 18 10.930 -2.936 -6.394 1.00 7.08 C ATOM 289 C GLU A 18 10.846 -1.600 -5.591 1.00 6.45 C ATOM 290 O GLU A 18 9.806 -0.931 -5.652 1.00 5.28 O ATOM 291 CB GLU A 18 11.682 -2.633 -7.682 1.00 10.28 C ATOM 292 CG GLU A 18 11.763 -3.844 -8.646 1.00 12.65 C ATOM 293 CD GLU A 18 12.689 -4.947 -8.093 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.920 -4.638 -7.918 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.163 -6.039 -7.832 1.00 18.17 O ATOM 0 H GLU A 18 9.007 -2.959 -7.270 1.00 7.29 H new ATOM 0 HA GLU A 18 11.470 -3.708 -5.847 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.193 -1.803 -8.193 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.692 -2.305 -7.436 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.765 -4.252 -8.804 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.130 -3.513 -9.618 1.00 12.65 H new ATOM 302 N PRO A 19 11.903 -1.153 -4.842 1.00 7.24 N ATOM 303 CA PRO A 19 11.851 0.025 -3.991 1.00 7.07 C ATOM 304 C PRO A 19 11.412 1.292 -4.753 1.00 6.65 C ATOM 305 O PRO A 19 10.931 2.206 -4.117 1.00 6.37 O ATOM 306 CB PRO A 19 13.221 0.203 -3.449 1.00 7.61 C ATOM 307 CG PRO A 19 13.826 -1.201 -3.355 1.00 8.16 C ATOM 308 CD PRO A 19 13.124 -1.898 -4.530 1.00 7.49 C ATOM 0 HA PRO A 19 11.109 -0.120 -3.205 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.818 0.842 -4.100 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.194 0.682 -2.470 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.910 -1.192 -3.468 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.609 -1.681 -2.401 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.781 -1.932 -5.399 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.884 -2.929 -4.272 1.00 7.49 H new ATOM 316 N SER A 20 11.578 1.364 -6.144 1.00 6.80 N ATOM 317 CA SER A 20 11.347 2.571 -6.897 1.00 6.28 C ATOM 318 C SER A 20 9.963 2.632 -7.412 1.00 8.45 C ATOM 319 O SER A 20 9.600 3.599 -8.019 1.00 7.26 O ATOM 320 CB SER A 20 12.278 2.639 -8.151 1.00 8.57 C ATOM 321 OG SER A 20 12.273 1.407 -8.816 1.00 11.13 O ATOM 0 H SER A 20 11.872 0.572 -6.715 1.00 6.80 H new ATOM 0 HA SER A 20 11.544 3.394 -6.210 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.939 3.427 -8.824 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.293 2.894 -7.847 1.00 8.57 H new ATOM 0 HG SER A 20 12.857 1.457 -9.602 1.00 11.13 H new ATOM 327 N ASP A 21 9.107 1.646 -7.072 1.00 7.50 N ATOM 328 CA ASP A 21 7.689 1.697 -7.315 1.00 7.70 C ATOM 329 C ASP A 21 7.027 2.742 -6.395 1.00 7.08 C ATOM 330 O ASP A 21 7.499 3.081 -5.320 1.00 8.11 O ATOM 331 CB ASP A 21 7.070 0.285 -7.138 1.00 11.00 C ATOM 332 CG ASP A 21 7.251 -0.628 -8.311 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.193 -0.203 -9.485 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.480 -1.850 -8.039 1.00 18.03 O ATOM 0 H ASP A 21 9.408 0.786 -6.614 1.00 7.50 H new ATOM 0 HA ASP A 21 7.506 2.010 -8.343 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.512 -0.183 -6.259 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.004 0.393 -6.940 1.00 11.00 H new ATOM 339 N THR A 22 5.878 3.311 -6.860 1.00 5.37 N ATOM 340 CA THR A 22 5.039 4.282 -6.175 1.00 6.01 C ATOM 341 C THR A 22 3.977 3.614 -5.300 1.00 8.01 C ATOM 342 O THR A 22 3.549 2.480 -5.519 1.00 8.11 O ATOM 343 CB THR A 22 4.355 5.229 -7.088 1.00 8.92 C ATOM 344 OG1 THR A 22 3.801 4.486 -8.139 1.00 10.22 O ATOM 345 CG2 THR A 22 5.407 6.147 -7.776 1.00 9.65 C ATOM 0 H THR A 22 5.509 3.075 -7.781 1.00 5.37 H new ATOM 0 HA THR A 22 5.737 4.843 -5.554 1.00 6.01 H new ATOM 0 HB THR A 22 3.622 5.801 -6.519 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.340 5.089 -8.759 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.901 6.842 -8.446 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.953 6.708 -7.017 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.105 5.535 -8.347 1.00 9.65 H new ATOM 353 N ILE A 23 3.490 4.435 -4.331 1.00 8.32 N ATOM 354 CA ILE A 23 2.409 4.009 -3.497 1.00 9.92 C ATOM 355 C ILE A 23 1.121 3.713 -4.300 1.00 10.01 C ATOM 356 O ILE A 23 0.337 2.792 -4.102 1.00 8.71 O ATOM 357 CB ILE A 23 2.286 5.024 -2.393 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.550 5.035 -1.539 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.069 4.740 -1.472 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.992 3.742 -0.758 1.00 12.30 C ATOM 0 H ILE A 23 3.842 5.372 -4.135 1.00 8.32 H new ATOM 0 HA ILE A 23 2.606 3.040 -3.039 1.00 9.92 H new ATOM 0 HB ILE A 23 2.142 5.993 -2.871 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.377 5.317 -2.190 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.436 5.832 -0.805 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.020 5.498 -0.690 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.153 4.767 -2.061 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.179 3.756 -1.017 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.912 3.945 -0.209 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.208 3.454 -0.058 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.163 2.930 -1.465 1.00 12.30 H new ATOM 372 N GLU A 24 0.908 4.473 -5.400 1.00 9.54 N ATOM 373 CA GLU A 24 -0.068 4.355 -6.442 1.00 11.81 C ATOM 374 C GLU A 24 -0.044 3.055 -7.209 1.00 11.14 C ATOM 375 O GLU A 24 -1.079 2.429 -7.397 1.00 10.62 O ATOM 376 CB GLU A 24 0.036 5.574 -7.403 1.00 19.24 C ATOM 377 CG GLU A 24 -1.075 5.644 -8.396 1.00 27.76 C ATOM 378 CD GLU A 24 -1.071 6.884 -9.271 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.025 7.225 -9.777 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.159 7.476 -9.509 1.00 36.51 O ATOM 0 H GLU A 24 1.509 5.279 -5.573 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.034 4.349 -5.938 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.045 6.491 -6.814 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.986 5.527 -7.935 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.026 4.764 -9.037 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.024 5.597 -7.862 1.00 27.76 H new ATOM 387 N ASN A 25 1.167 2.606 -7.599 1.00 9.43 N ATOM 388 CA ASN A 25 1.433 1.297 -8.174 1.00 10.96 C ATOM 389 C ASN A 25 1.109 0.140 -7.253 1.00 9.68 C ATOM 390 O ASN A 25 0.585 -0.842 -7.672 1.00 9.33 O ATOM 391 CB ASN A 25 2.913 1.315 -8.702 1.00 16.78 C ATOM 392 CG ASN A 25 3.085 0.232 -9.810 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.495 -0.912 -9.548 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.643 0.522 -11.039 1.00 24.70 N ATOM 0 H ASN A 25 2.009 3.176 -7.514 1.00 9.43 H new ATOM 0 HA ASN A 25 0.754 1.113 -9.006 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.156 2.300 -9.101 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.605 1.124 -7.882 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.642 -0.196 -11.763 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.307 1.461 -11.252 1.00 24.70 H new ATOM 401 N VAL A 26 1.378 0.295 -5.986 1.00 6.52 N ATOM 402 CA VAL A 26 0.991 -0.764 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 -0.546 -0.937 -4.986 1.00 4.42 C ATOM 404 O VAL A 26 -1.059 -2.029 -4.846 1.00 3.40 O ATOM 405 CB VAL A 26 1.564 -0.504 -3.696 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.906 -1.364 -2.522 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.042 -0.797 -3.726 1.00 8.12 C ATOM 0 H VAL A 26 1.842 1.102 -5.569 1.00 6.52 H new ATOM 0 HA VAL A 26 1.400 -1.695 -5.460 1.00 5.53 H new ATOM 0 HB VAL A 26 1.346 0.540 -3.472 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.381 -1.110 -1.574 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.160 -1.145 -2.464 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.047 -2.425 -2.725 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.469 -0.613 -2.740 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.201 -1.839 -4.002 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.526 -0.150 -4.458 1.00 8.12 H new ATOM 417 N LYS A 27 -1.225 0.200 -5.094 1.00 2.64 N ATOM 418 CA LYS A 27 -2.694 0.225 -5.108 1.00 4.14 C ATOM 419 C LYS A 27 -3.247 -0.487 -6.411 1.00 5.58 C ATOM 420 O LYS A 27 -4.211 -1.215 -6.360 1.00 4.11 O ATOM 421 CB LYS A 27 -3.402 1.593 -4.922 1.00 3.97 C ATOM 422 CG LYS A 27 -3.078 2.284 -3.594 1.00 7.45 C ATOM 423 CD LYS A 27 -3.663 3.679 -3.351 1.00 9.02 C ATOM 424 CE LYS A 27 -2.895 4.438 -2.179 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.690 5.626 -1.803 1.00 15.47 N ATOM 0 H LYS A 27 -0.788 1.118 -5.173 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.949 -0.320 -4.199 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.118 2.252 -5.742 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.480 1.445 -4.990 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.417 1.634 -2.787 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.994 2.357 -3.511 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.601 4.265 -4.268 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.720 3.593 -3.099 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.765 3.780 -1.320 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.899 4.735 -2.507 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.216 6.129 -1.026 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.777 6.259 -2.623 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.637 5.327 -1.494 1.00 15.47 H new ATOM 439 N ALA A 28 -2.560 -0.221 -7.531 1.00 6.61 N ATOM 440 CA ALA A 28 -2.931 -0.873 -8.843 1.00 7.74 C ATOM 441 C ALA A 28 -2.723 -2.436 -8.749 1.00 9.17 C ATOM 442 O ALA A 28 -3.555 -3.200 -9.213 1.00 11.45 O ATOM 443 CB ALA A 28 -2.161 -0.313 -10.087 1.00 7.68 C ATOM 0 H ALA A 28 -1.766 0.417 -7.581 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.981 -0.630 -9.004 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.489 -0.837 -10.984 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.367 0.752 -10.193 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.090 -0.464 -9.950 1.00 7.68 H new ATOM 449 N LYS A 29 -1.594 -2.855 -8.093 1.00 8.96 N ATOM 450 CA LYS A 29 -1.299 -4.297 -7.883 1.00 7.90 C ATOM 451 C LYS A 29 -2.422 -4.872 -6.952 1.00 6.92 C ATOM 452 O LYS A 29 -2.979 -5.952 -7.252 1.00 6.87 O ATOM 453 CB LYS A 29 0.099 -4.556 -7.268 1.00 10.28 C ATOM 454 CG LYS A 29 0.483 -6.072 -7.375 1.00 14.94 C ATOM 455 CD LYS A 29 1.930 -6.313 -7.055 1.00 19.69 C ATOM 456 CE LYS A 29 2.508 -7.635 -7.429 1.00 22.63 C ATOM 457 NZ LYS A 29 2.306 -8.016 -8.840 1.00 24.98 N ATOM 0 H LYS A 29 -0.891 -2.222 -7.711 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.285 -4.795 -8.853 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.845 -3.950 -7.782 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.104 -4.248 -6.222 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.140 -6.652 -6.694 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.271 -6.429 -8.383 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.517 -5.538 -7.548 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.064 -6.179 -5.981 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.578 -7.622 -7.219 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.068 -8.403 -6.792 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.890 -8.847 -9.062 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.304 -8.245 -8.998 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.581 -7.225 -9.456 1.00 24.98 H new ATOM 471 N ILE A 30 -2.865 -4.240 -5.868 1.00 4.57 N ATOM 472 CA ILE A 30 -3.999 -4.610 -5.046 1.00 5.58 C ATOM 473 C ILE A 30 -5.299 -4.559 -5.778 1.00 7.26 C ATOM 474 O ILE A 30 -6.098 -5.498 -5.630 1.00 9.46 O ATOM 475 CB ILE A 30 -4.023 -3.863 -3.675 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.777 -4.223 -2.862 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.290 -4.272 -2.894 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.688 -3.425 -1.549 1.00 2.00 C ATOM 0 H ILE A 30 -2.404 -3.398 -5.522 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.857 -5.662 -4.800 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.032 -2.787 -3.850 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.788 -5.289 -2.637 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.887 -4.033 -3.462 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.310 -3.752 -1.936 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.175 -4.004 -3.471 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.280 -5.348 -2.723 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.788 -3.715 -1.007 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.649 -2.359 -1.773 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.564 -3.635 -0.935 1.00 2.00 H new ATOM 490 N GLN A 31 -5.616 -3.601 -6.629 1.00 7.06 N ATOM 491 CA GLN A 31 -6.890 -3.622 -7.411 1.00 8.67 C ATOM 492 C GLN A 31 -6.979 -4.859 -8.399 1.00 10.90 C ATOM 493 O GLN A 31 -7.963 -5.539 -8.500 1.00 9.63 O ATOM 494 CB GLN A 31 -6.970 -2.336 -8.275 1.00 9.12 C ATOM 495 CG GLN A 31 -8.270 -2.281 -9.128 1.00 10.76 C ATOM 496 CD GLN A 31 -8.428 -0.935 -9.941 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.384 -0.188 -9.655 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.498 -0.565 -10.845 1.00 14.76 N ATOM 0 H GLN A 31 -5.026 -2.790 -6.813 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.706 -3.691 -6.691 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.926 -1.461 -7.626 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.103 -2.288 -8.934 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.276 -3.120 -9.824 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.132 -2.405 -8.472 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.723 -1.191 -11.065 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.569 0.341 -11.309 1.00 14.76 H new ATOM 507 N ASP A 32 -5.855 -5.180 -9.078 1.00 10.93 N ATOM 508 CA ASP A 32 -5.690 -6.414 -9.818 1.00 14.01 C ATOM 509 C ASP A 32 -5.909 -7.664 -8.906 1.00 14.04 C ATOM 510 O ASP A 32 -6.873 -8.448 -9.091 1.00 13.39 O ATOM 511 CB ASP A 32 -4.382 -6.561 -10.559 1.00 18.01 C ATOM 512 CG ASP A 32 -4.331 -7.832 -11.409 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.248 -8.097 -12.216 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.345 -8.590 -11.218 1.00 25.17 O ATOM 0 H ASP A 32 -5.038 -4.571 -9.117 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.465 -6.357 -10.583 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.232 -5.692 -11.200 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.561 -6.574 -9.842 1.00 18.01 H new ATOM 519 N LYS A 33 -5.086 -7.824 -7.799 1.00 14.22 N ATOM 520 CA LYS A 33 -5.197 -8.951 -6.913 1.00 14.00 C ATOM 521 C LYS A 33 -6.555 -9.034 -6.255 1.00 12.37 C ATOM 522 O LYS A 33 -7.110 -10.158 -6.219 1.00 12.17 O ATOM 523 CB LYS A 33 -4.171 -8.863 -5.690 1.00 18.62 C ATOM 524 CG LYS A 33 -4.096 -10.215 -5.000 1.00 24.00 C ATOM 525 CD LYS A 33 -3.077 -10.318 -3.840 1.00 27.61 C ATOM 526 CE LYS A 33 -2.921 -11.822 -3.321 1.00 27.64 C ATOM 527 NZ LYS A 33 -4.240 -12.406 -3.045 1.00 30.06 N ATOM 0 H LYS A 33 -4.354 -7.162 -7.540 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.000 -9.811 -7.554 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.184 -8.569 -6.048 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.494 -8.098 -4.983 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.085 -10.461 -4.614 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.848 -10.970 -5.746 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.108 -9.946 -4.173 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.398 -9.680 -3.016 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.401 -12.420 -4.069 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.311 -11.841 -2.418 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.124 -13.280 -2.493 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.813 -11.728 -2.504 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.718 -12.624 -3.943 1.00 30.06 H new ATOM 541 N GLU A 34 -7.126 -7.969 -5.742 1.00 10.11 N ATOM 542 CA GLU A 34 -8.271 -8.097 -4.815 1.00 10.07 C ATOM 543 C GLU A 34 -9.597 -7.279 -5.233 1.00 9.32 C ATOM 544 O GLU A 34 -10.698 -7.340 -4.613 1.00 11.61 O ATOM 545 CB GLU A 34 -7.915 -7.645 -3.404 1.00 14.77 C ATOM 546 CG GLU A 34 -6.842 -8.470 -2.720 1.00 18.75 C ATOM 547 CD GLU A 34 -7.167 -9.913 -2.434 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.294 -10.192 -1.969 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.269 -10.793 -2.472 1.00 21.95 O ATOM 0 H GLU A 34 -6.836 -7.010 -5.935 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.494 -9.163 -4.863 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.585 -6.607 -3.443 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.817 -7.670 -2.792 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.946 -8.441 -3.340 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.592 -7.985 -1.776 1.00 18.75 H new ATOM 556 N GLY A 35 -9.578 -6.520 -6.339 1.00 7.22 N ATOM 557 CA GLY A 35 -10.769 -5.927 -6.923 1.00 6.29 C ATOM 558 C GLY A 35 -11.291 -4.772 -6.029 1.00 6.93 C ATOM 559 O GLY A 35 -12.449 -4.709 -5.671 1.00 7.41 O ATOM 0 H GLY A 35 -8.722 -6.304 -6.851 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.544 -5.550 -7.921 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.543 -6.686 -7.036 1.00 6.29 H new ATOM 563 N ILE A 36 -10.366 -3.815 -5.631 1.00 5.86 N ATOM 564 CA ILE A 36 -10.628 -2.697 -4.741 1.00 6.07 C ATOM 565 C ILE A 36 -10.258 -1.473 -5.556 1.00 6.36 C ATOM 566 O ILE A 36 -9.186 -1.454 -6.125 1.00 6.18 O ATOM 567 CB ILE A 36 -9.797 -2.730 -3.497 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.960 -4.078 -2.750 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.208 -1.620 -2.507 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.975 -4.280 -1.630 1.00 9.49 C ATOM 0 H ILE A 36 -9.398 -3.837 -5.953 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.664 -2.714 -4.404 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.766 -2.587 -3.822 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.971 -4.138 -2.346 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.853 -4.893 -3.465 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.582 -1.677 -1.616 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.080 -0.646 -2.979 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.253 -1.752 -2.225 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.154 -5.246 -1.157 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.961 -4.254 -2.028 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.096 -3.487 -0.892 1.00 9.49 H new ATOM 582 N PRO A 37 -11.053 -0.403 -5.681 1.00 8.65 N ATOM 583 CA PRO A 37 -10.581 0.836 -6.189 1.00 9.18 C ATOM 584 C PRO A 37 -9.438 1.523 -5.301 1.00 9.85 C ATOM 585 O PRO A 37 -9.585 1.631 -4.096 1.00 8.51 O ATOM 586 CB PRO A 37 -11.820 1.786 -6.088 1.00 11.42 C ATOM 587 CG PRO A 37 -13.023 0.866 -6.122 1.00 9.27 C ATOM 588 CD PRO A 37 -12.508 -0.366 -5.369 1.00 8.33 C ATOM 0 HA PRO A 37 -10.163 0.670 -7.182 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.796 2.370 -5.168 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.842 2.495 -6.915 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.889 1.310 -5.632 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.322 0.624 -7.142 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.683 -0.279 -4.297 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.010 -1.275 -5.702 1.00 8.33 H new ATOM 596 N PRO A 38 -8.326 2.005 -5.892 1.00 8.71 N ATOM 597 CA PRO A 38 -7.281 2.793 -5.295 1.00 9.08 C ATOM 598 C PRO A 38 -7.743 4.029 -4.568 1.00 9.28 C ATOM 599 O PRO A 38 -7.095 4.451 -3.568 1.00 6.50 O ATOM 600 CB PRO A 38 -6.301 3.162 -6.394 1.00 10.31 C ATOM 601 CG PRO A 38 -6.452 1.990 -7.383 1.00 10.81 C ATOM 602 CD PRO A 38 -7.942 1.679 -7.303 1.00 12.00 C ATOM 0 HA PRO A 38 -6.822 2.182 -4.518 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.550 4.117 -6.856 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.282 3.246 -6.017 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.150 2.269 -8.392 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.843 1.134 -7.093 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.510 2.277 -8.016 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.141 0.633 -7.535 1.00 12.00 H new ATOM 610 N ASP A 39 -8.862 4.600 -5.002 1.00 11.20 N ATOM 611 CA ASP A 39 -9.524 5.731 -4.380 1.00 14.96 C ATOM 612 C ASP A 39 -9.936 5.481 -2.925 1.00 13.99 C ATOM 613 O ASP A 39 -9.824 6.376 -2.061 1.00 13.75 O ATOM 614 CB ASP A 39 -10.841 6.178 -5.171 1.00 24.16 C ATOM 615 CG ASP A 39 -10.572 6.721 -6.550 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.582 7.436 -6.775 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.434 6.386 -7.430 1.00 35.55 O ATOM 0 H ASP A 39 -9.350 4.269 -5.834 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.770 6.518 -4.411 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.511 5.322 -5.253 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.363 6.937 -4.588 1.00 24.16 H new ATOM 622 N GLN A 40 -10.410 4.286 -2.629 1.00 11.60 N ATOM 623 CA GLN A 40 -10.767 3.829 -1.280 1.00 10.76 C ATOM 624 C GLN A 40 -9.628 3.337 -0.484 1.00 8.01 C ATOM 625 O GLN A 40 -9.696 3.262 0.745 1.00 8.96 O ATOM 626 CB GLN A 40 -11.743 2.664 -1.359 1.00 11.14 C ATOM 627 CG GLN A 40 -13.035 3.022 -2.095 1.00 14.85 C ATOM 628 CD GLN A 40 -14.051 1.906 -2.280 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.035 0.870 -1.668 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.009 2.125 -3.155 1.00 18.16 N ATOM 0 H GLN A 40 -10.567 3.573 -3.341 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.187 4.712 -0.798 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.262 1.827 -1.865 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.986 2.330 -0.350 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.519 3.836 -1.555 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.770 3.406 -3.080 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.031 3.000 -3.679 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.729 1.420 -3.310 1.00 18.16 H new ATOM 639 N GLN A 41 -8.449 3.151 -1.166 1.00 6.52 N ATOM 640 CA GLN A 41 -7.329 2.538 -0.515 1.00 3.87 C ATOM 641 C GLN A 41 -6.443 3.513 0.142 1.00 4.79 C ATOM 642 O GLN A 41 -5.986 4.444 -0.496 1.00 6.34 O ATOM 643 CB GLN A 41 -6.472 1.594 -1.428 1.00 4.20 C ATOM 644 CG GLN A 41 -7.150 0.419 -2.089 1.00 3.20 C ATOM 645 CD GLN A 41 -6.130 -0.463 -2.770 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.090 -0.895 -2.232 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.533 -0.889 -4.006 1.00 7.13 N ATOM 0 H GLN A 41 -8.291 3.421 -2.137 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.800 1.912 0.243 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.029 2.206 -2.214 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.651 1.206 -0.825 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.700 -0.158 -1.345 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.878 0.774 -2.818 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.388 -0.517 -4.420 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.978 -1.578 -4.514 1.00 7.13 H new ATOM 656 N ARG A 42 -6.111 3.323 1.440 1.00 5.73 N ATOM 657 CA ARG A 42 -5.157 4.129 2.222 1.00 6.97 C ATOM 658 C ARG A 42 -4.094 3.267 2.768 1.00 7.15 C ATOM 659 O ARG A 42 -4.393 2.142 3.056 1.00 7.33 O ATOM 660 CB ARG A 42 -5.980 4.794 3.380 1.00 13.23 C ATOM 661 CG ARG A 42 -7.161 5.635 2.867 1.00 21.27 C ATOM 662 CD ARG A 42 -7.697 6.535 3.932 1.00 26.14 C ATOM 663 NE ARG A 42 -8.761 7.235 3.124 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.528 8.232 3.559 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.507 8.721 4.771 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.325 8.791 2.667 1.00 36.39 N ATOM 0 H ARG A 42 -6.521 2.569 1.991 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.675 4.886 1.604 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.356 4.016 4.045 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.319 5.427 3.972 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.840 6.231 2.013 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.953 4.974 2.515 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.104 5.988 4.782 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.945 7.220 4.324 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.905 6.918 2.165 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.867 8.335 5.466 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.130 9.488 5.022 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.329 8.454 1.704 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.937 9.560 2.941 1.00 36.39 H new ATOM 680 N LEU A 43 -2.851 3.770 2.983 1.00 4.65 N ATOM 681 CA LEU A 43 -1.779 2.890 3.498 1.00 3.51 C ATOM 682 C LEU A 43 -1.085 3.516 4.666 1.00 5.56 C ATOM 683 O LEU A 43 -0.869 4.719 4.703 1.00 4.19 O ATOM 684 CB LEU A 43 -0.675 2.613 2.439 1.00 3.74 C ATOM 685 CG LEU A 43 -1.079 1.460 1.495 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.287 1.376 0.184 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.956 0.116 2.206 1.00 6.41 C ATOM 0 H LEU A 43 -2.577 4.738 2.815 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.279 1.962 3.774 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.493 3.516 1.856 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.260 2.364 2.942 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.111 1.687 1.227 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.648 0.534 -0.406 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.420 2.298 -0.381 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.771 1.236 0.406 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.245 -0.684 1.524 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.075 -0.034 2.525 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.610 0.104 3.078 1.00 6.41 H new ATOM 699 N ILE A 44 -0.688 2.687 5.680 1.00 4.58 N ATOM 700 CA ILE A 44 0.084 3.102 6.853 1.00 5.55 C ATOM 701 C ILE A 44 1.381 2.356 6.993 1.00 5.46 C ATOM 702 O ILE A 44 1.447 1.082 6.941 1.00 6.04 O ATOM 703 CB ILE A 44 -0.785 3.049 8.156 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.281 3.452 7.981 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.121 4.009 9.098 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.041 3.468 9.266 1.00 13.90 C ATOM 0 H ILE A 44 -0.911 1.692 5.686 1.00 4.58 H new ATOM 0 HA ILE A 44 0.364 4.144 6.695 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.827 2.017 8.505 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.333 4.440 7.523 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.760 2.756 7.292 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.669 4.032 10.040 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.904 3.687 9.283 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.115 5.006 8.657 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.075 3.756 9.074 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.019 2.475 9.714 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.585 4.185 9.949 1.00 13.90 H new ATOM 718 N PHE A 45 2.516 3.044 7.115 1.00 6.75 N ATOM 719 CA PHE A 45 3.811 2.471 7.383 1.00 4.70 C ATOM 720 C PHE A 45 4.449 3.519 8.214 1.00 6.34 C ATOM 721 O PHE A 45 4.396 4.700 7.816 1.00 5.45 O ATOM 722 CB PHE A 45 4.728 2.266 6.139 1.00 5.51 C ATOM 723 CG PHE A 45 6.097 1.721 6.469 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.217 0.386 6.892 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.249 2.504 6.279 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.511 -0.123 7.124 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.484 1.990 6.525 1.00 6.64 C ATOM 728 CZ PHE A 45 8.629 0.660 6.902 1.00 6.84 C ATOM 0 H PHE A 45 2.546 4.059 7.024 1.00 6.75 H new ATOM 0 HA PHE A 45 3.688 1.478 7.815 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.235 1.585 5.445 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.842 3.220 5.623 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.343 -0.232 7.035 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.152 3.523 5.935 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.631 -1.136 7.479 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.357 2.619 6.427 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.616 0.238 7.022 1.00 6.84 H new ATOM 738 N ALA A 46 5.095 3.163 9.319 1.00 6.53 N ATOM 739 CA ALA A 46 5.686 4.052 10.288 1.00 7.15 C ATOM 740 C ALA A 46 4.778 5.081 10.915 1.00 9.00 C ATOM 741 O ALA A 46 5.218 6.142 11.348 1.00 11.15 O ATOM 742 CB ALA A 46 6.934 4.775 9.670 1.00 8.99 C ATOM 0 H ALA A 46 5.223 2.182 9.569 1.00 6.53 H new ATOM 0 HA ALA A 46 5.959 3.388 11.108 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.371 5.444 10.412 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.673 4.032 9.370 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.625 5.352 8.798 1.00 8.99 H new ATOM 748 N GLY A 47 3.445 4.867 10.962 1.00 9.35 N ATOM 749 CA GLY A 47 2.426 5.830 11.367 1.00 11.68 C ATOM 750 C GLY A 47 2.146 6.814 10.333 1.00 11.14 C ATOM 751 O GLY A 47 1.367 7.729 10.541 1.00 13.93 O ATOM 0 H GLY A 47 3.041 3.967 10.703 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.508 5.299 11.616 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.754 6.342 12.272 1.00 11.68 H new ATOM 755 N LYS A 48 2.751 6.700 9.203 1.00 10.47 N ATOM 756 CA LYS A 48 2.580 7.682 8.150 1.00 8.82 C ATOM 757 C LYS A 48 1.473 7.362 7.169 1.00 7.68 C ATOM 758 O LYS A 48 1.254 6.222 6.772 1.00 6.47 O ATOM 759 CB LYS A 48 3.884 7.988 7.348 1.00 9.74 C ATOM 760 CG LYS A 48 5.004 8.565 8.211 1.00 14.14 C ATOM 761 CD LYS A 48 6.310 8.689 7.405 1.00 16.32 C ATOM 762 CE LYS A 48 7.580 8.914 8.210 1.00 20.04 C ATOM 763 NZ LYS A 48 7.491 10.246 8.908 1.00 23.92 N ATOM 0 H LYS A 48 3.380 5.932 8.967 1.00 10.47 H new ATOM 0 HA LYS A 48 2.295 8.573 8.710 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.235 7.071 6.875 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.653 8.691 6.547 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.710 9.545 8.588 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.167 7.925 9.078 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.435 7.781 6.815 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.201 9.514 6.701 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.709 8.115 8.940 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.450 8.890 7.554 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.357 10.407 9.461 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.386 11.002 8.201 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.668 10.250 9.544 1.00 23.92 H new ATOM 777 N GLN A 49 0.673 8.373 6.801 1.00 8.89 N ATOM 778 CA GLN A 49 -0.385 8.219 5.847 1.00 7.18 C ATOM 779 C GLN A 49 0.213 8.276 4.415 1.00 8.23 C ATOM 780 O GLN A 49 0.431 9.375 3.899 1.00 9.70 O ATOM 781 CB GLN A 49 -1.548 9.304 6.000 1.00 11.67 C ATOM 782 CG GLN A 49 -2.159 9.271 7.417 1.00 15.82 C ATOM 783 CD GLN A 49 -3.100 10.458 7.596 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.323 10.360 7.455 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.501 11.603 7.983 1.00 20.67 N ATOM 0 H GLN A 49 0.759 9.319 7.172 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.850 7.251 6.036 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.151 10.298 5.795 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.326 9.114 5.261 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.702 8.338 7.568 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.368 9.305 8.166 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.487 11.638 8.087 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.062 12.434 8.172 1.00 20.67 H new ATOM 794 N LEU A 50 0.461 7.111 3.848 1.00 6.51 N ATOM 795 CA LEU A 50 1.347 7.009 2.615 1.00 7.41 C ATOM 796 C LEU A 50 0.844 7.694 1.330 1.00 8.27 C ATOM 797 O LEU A 50 -0.176 7.371 0.727 1.00 8.34 O ATOM 798 CB LEU A 50 1.678 5.565 2.184 1.00 7.13 C ATOM 799 CG LEU A 50 2.346 4.721 3.299 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.999 3.472 2.694 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.537 5.376 4.037 1.00 9.11 C ATOM 0 H LEU A 50 0.091 6.221 4.181 1.00 6.51 H new ATOM 0 HA LEU A 50 2.219 7.542 2.996 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.760 5.070 1.866 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.339 5.596 1.318 1.00 7.13 H new ATOM 0 HG LEU A 50 1.518 4.555 3.988 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.466 2.886 3.486 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.240 2.869 2.196 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.757 3.772 1.970 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.919 4.689 4.793 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.327 5.604 3.322 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.205 6.296 4.518 1.00 9.11 H new ATOM 813 N GLU A 51 1.456 8.806 0.892 1.00 9.43 N ATOM 814 CA GLU A 51 1.183 9.583 -0.282 1.00 11.90 C ATOM 815 C GLU A 51 1.418 8.793 -1.597 1.00 11.49 C ATOM 816 O GLU A 51 2.500 8.196 -1.811 1.00 9.88 O ATOM 817 CB GLU A 51 1.962 10.964 -0.378 1.00 16.56 C ATOM 818 CG GLU A 51 1.905 11.837 0.910 1.00 26.06 C ATOM 819 CD GLU A 51 2.472 13.178 0.546 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.692 13.440 0.581 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.603 14.060 0.303 1.00 33.44 O ATOM 0 H GLU A 51 2.231 9.206 1.421 1.00 9.43 H new ATOM 0 HA GLU A 51 0.124 9.814 -0.169 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.006 10.760 -0.616 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.552 11.539 -1.208 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.880 11.934 1.267 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.480 11.379 1.714 1.00 26.06 H new ATOM 828 N ASP A 52 0.454 8.772 -2.527 1.00 12.71 N ATOM 829 CA ASP A 52 0.430 7.952 -3.735 1.00 16.56 C ATOM 830 C ASP A 52 1.608 8.166 -4.657 1.00 15.83 C ATOM 831 O ASP A 52 2.173 7.186 -5.119 1.00 17.21 O ATOM 832 CB ASP A 52 -0.873 8.345 -4.426 1.00 21.05 C ATOM 833 CG ASP A 52 -2.075 8.233 -3.472 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.202 9.143 -2.631 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.989 7.365 -3.675 1.00 28.37 O ATOM 0 H ASP A 52 -0.374 9.362 -2.447 1.00 12.71 H new ATOM 0 HA ASP A 52 0.493 6.895 -3.476 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.795 9.367 -4.796 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.034 7.704 -5.292 1.00 21.05 H new ATOM 840 N GLY A 53 1.986 9.436 -4.958 1.00 15.00 N ATOM 841 CA GLY A 53 3.172 9.861 -5.797 1.00 11.77 C ATOM 842 C GLY A 53 4.520 9.779 -5.161 1.00 11.10 C ATOM 843 O GLY A 53 5.466 10.151 -5.802 1.00 11.25 O ATOM 0 H GLY A 53 1.458 10.238 -4.614 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.186 9.248 -6.698 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.010 10.891 -6.114 1.00 11.77 H new ATOM 847 N ARG A 54 4.675 9.236 -3.927 1.00 8.53 N ATOM 848 CA ARG A 54 5.926 8.927 -3.334 1.00 9.05 C ATOM 849 C ARG A 54 6.165 7.470 -3.629 1.00 8.96 C ATOM 850 O ARG A 54 5.269 6.748 -3.978 1.00 11.60 O ATOM 851 CB ARG A 54 5.984 9.254 -1.813 1.00 7.97 C ATOM 852 CG ARG A 54 6.028 10.793 -1.527 1.00 9.62 C ATOM 853 CD ARG A 54 6.361 11.037 -0.041 1.00 12.20 C ATOM 854 NE ARG A 54 6.260 12.500 0.161 1.00 18.23 N ATOM 855 CZ ARG A 54 7.233 13.342 0.613 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.465 12.933 0.685 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.966 14.615 1.050 1.00 23.38 N ATOM 0 H ARG A 54 3.882 9.007 -3.327 1.00 8.53 H new ATOM 0 HA ARG A 54 6.717 9.549 -3.753 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.114 8.822 -1.319 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.865 8.782 -1.377 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.777 11.269 -2.160 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.068 11.246 -1.773 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.666 10.504 0.608 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.361 10.677 0.200 1.00 12.20 H new ATOM 0 HE ARG A 54 5.361 12.927 -0.063 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.704 11.982 0.403 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.193 13.563 1.023 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.008 14.966 1.045 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.725 15.211 1.380 1.00 23.38 H new ATOM 871 N THR A 55 7.422 7.075 -3.475 1.00 9.05 N ATOM 872 CA THR A 55 7.937 5.792 -3.684 1.00 9.03 C ATOM 873 C THR A 55 7.985 5.043 -2.374 1.00 8.15 C ATOM 874 O THR A 55 8.009 5.598 -1.314 1.00 5.91 O ATOM 875 CB THR A 55 9.212 5.648 -4.477 1.00 11.15 C ATOM 876 OG1 THR A 55 10.276 6.451 -3.896 1.00 11.95 O ATOM 877 CG2 THR A 55 8.957 6.212 -5.879 1.00 11.71 C ATOM 0 H THR A 55 8.145 7.728 -3.173 1.00 9.05 H new ATOM 0 HA THR A 55 7.225 5.336 -4.372 1.00 9.03 H new ATOM 0 HB THR A 55 9.502 4.597 -4.488 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.043 5.877 -3.689 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.863 6.122 -6.478 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.151 5.654 -6.355 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.675 7.262 -5.803 1.00 11.71 H new ATOM 885 N LEU A 56 7.995 3.661 -2.492 1.00 6.91 N ATOM 886 CA LEU A 56 8.318 2.848 -1.330 1.00 8.29 C ATOM 887 C LEU A 56 9.651 3.154 -0.723 1.00 8.05 C ATOM 888 O LEU A 56 9.739 3.199 0.502 1.00 10.17 O ATOM 889 CB LEU A 56 8.325 1.414 -1.823 1.00 6.60 C ATOM 890 CG LEU A 56 6.978 0.923 -2.344 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.138 -0.365 -3.169 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.992 0.526 -1.247 1.00 8.64 C ATOM 0 H LEU A 56 7.790 3.143 -3.347 1.00 6.91 H new ATOM 0 HA LEU A 56 7.585 3.046 -0.548 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.065 1.319 -2.617 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.646 0.764 -1.009 1.00 6.60 H new ATOM 0 HG LEU A 56 6.604 1.772 -2.917 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.162 -0.691 -3.527 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.791 -0.173 -4.020 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.575 -1.145 -2.545 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.060 0.189 -1.700 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.418 -0.280 -0.650 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.794 1.386 -0.607 1.00 8.64 H new ATOM 904 N SER A 57 10.624 3.437 -1.622 1.00 8.92 N ATOM 905 CA SER A 57 11.984 3.890 -1.190 1.00 9.00 C ATOM 906 C SER A 57 11.943 5.109 -0.299 1.00 9.44 C ATOM 907 O SER A 57 12.526 5.133 0.770 1.00 10.91 O ATOM 908 CB SER A 57 13.050 4.219 -2.292 1.00 10.32 C ATOM 909 OG SER A 57 12.519 5.109 -3.282 1.00 13.59 O ATOM 0 H SER A 57 10.505 3.364 -2.632 1.00 8.92 H new ATOM 0 HA SER A 57 12.309 2.983 -0.680 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.928 4.669 -1.829 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.380 3.296 -2.769 1.00 10.32 H new ATOM 0 HG SER A 57 13.206 5.297 -3.955 1.00 13.59 H new ATOM 915 N ASP A 58 11.225 6.165 -0.673 1.00 9.11 N ATOM 916 CA ASP A 58 11.235 7.425 0.058 1.00 7.91 C ATOM 917 C ASP A 58 10.499 7.323 1.386 1.00 9.12 C ATOM 918 O ASP A 58 10.611 8.181 2.260 1.00 8.61 O ATOM 919 CB ASP A 58 10.662 8.587 -0.747 1.00 8.41 C ATOM 920 CG ASP A 58 10.700 9.939 -0.114 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.846 10.296 0.382 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.672 10.647 -0.026 1.00 11.70 O ATOM 0 H ASP A 58 10.619 6.169 -1.494 1.00 9.11 H new ATOM 0 HA ASP A 58 12.288 7.632 0.249 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.201 8.641 -1.693 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.624 8.354 -0.985 1.00 8.41 H new ATOM 927 N TYR A 59 9.683 6.303 1.515 1.00 7.97 N ATOM 928 CA TYR A 59 9.119 5.875 2.817 1.00 8.45 C ATOM 929 C TYR A 59 9.840 4.784 3.518 1.00 10.98 C ATOM 930 O TYR A 59 9.383 4.236 4.530 1.00 12.95 O ATOM 931 CB TYR A 59 7.705 5.257 2.523 1.00 7.94 C ATOM 932 CG TYR A 59 6.680 6.388 2.427 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.585 7.287 3.472 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.917 6.600 1.246 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.690 8.403 3.419 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.897 7.604 1.194 1.00 6.52 C ATOM 937 CZ TYR A 59 4.815 8.441 2.347 1.00 6.76 C ATOM 938 OH TYR A 59 3.935 9.540 2.373 1.00 7.63 O ATOM 0 H TYR A 59 9.377 5.730 0.728 1.00 7.97 H new ATOM 0 HA TYR A 59 9.155 6.765 3.445 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.728 4.689 1.593 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.426 4.561 3.314 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.200 7.145 4.348 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.110 5.994 0.373 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.697 9.174 4.175 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.239 7.719 0.345 1.00 6.52 H new ATOM 0 HH TYR A 59 4.368 10.295 2.823 1.00 7.63 H new ATOM 948 N ASN A 60 11.077 4.438 3.051 1.00 12.38 N ATOM 949 CA ASN A 60 12.033 3.648 3.707 1.00 13.94 C ATOM 950 C ASN A 60 11.669 2.137 3.819 1.00 14.16 C ATOM 951 O ASN A 60 12.422 1.389 4.496 1.00 14.26 O ATOM 952 CB ASN A 60 12.483 4.168 5.072 1.00 19.23 C ATOM 953 CG ASN A 60 12.792 5.644 5.045 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.079 6.387 5.681 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.846 6.031 4.356 1.00 24.09 N ATOM 0 H ASN A 60 11.405 4.752 2.138 1.00 12.38 H new ATOM 0 HA ASN A 60 12.881 3.739 3.028 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.702 3.975 5.808 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.368 3.619 5.395 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.108 7.017 4.335 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.400 5.345 3.843 1.00 24.09 H new ATOM 962 N ILE A 61 10.626 1.612 3.109 1.00 11.08 N ATOM 963 CA ILE A 61 10.050 0.295 2.919 1.00 11.78 C ATOM 964 C ILE A 61 11.081 -0.562 2.292 1.00 13.74 C ATOM 965 O ILE A 61 11.412 -0.407 1.115 1.00 14.60 O ATOM 966 CB ILE A 61 8.756 0.442 2.122 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.748 1.298 2.979 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.279 -0.980 1.750 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.568 1.735 2.208 1.00 11.42 C ATOM 0 H ILE A 61 10.079 2.269 2.553 1.00 11.08 H new ATOM 0 HA ILE A 61 9.768 -0.192 3.852 1.00 11.78 H new ATOM 0 HB ILE A 61 8.871 0.981 1.182 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.419 0.712 3.837 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.265 2.174 3.371 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.353 -0.915 1.178 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.043 -1.475 1.150 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.104 -1.555 2.660 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.910 2.320 2.850 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.890 2.347 1.365 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.031 0.861 1.838 1.00 11.42 H new ATOM 981 N GLN A 62 11.580 -1.574 2.972 1.00 13.97 N ATOM 982 CA GLN A 62 12.592 -2.517 2.609 1.00 15.52 C ATOM 983 C GLN A 62 12.047 -4.016 2.613 1.00 13.94 C ATOM 984 O GLN A 62 10.880 -4.224 2.920 1.00 12.15 O ATOM 985 CB GLN A 62 13.821 -2.406 3.491 1.00 19.53 C ATOM 986 CG GLN A 62 14.368 -0.976 3.686 1.00 26.38 C ATOM 987 CD GLN A 62 15.845 -0.952 3.930 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.557 -0.334 3.165 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.261 -1.623 5.048 1.00 32.71 N ATOM 0 H GLN A 62 11.233 -1.769 3.911 1.00 13.97 H new ATOM 0 HA GLN A 62 12.883 -2.265 1.589 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.584 -2.823 4.470 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.611 -3.024 3.064 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.140 -0.380 2.802 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.857 -0.507 4.527 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.583 -2.115 5.630 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.249 -1.631 5.300 1.00 32.71 H new ATOM 998 N LYS A 63 12.970 -5.011 2.390 1.00 11.73 N ATOM 999 CA LYS A 63 12.659 -6.366 2.277 1.00 11.97 C ATOM 1000 C LYS A 63 11.885 -6.899 3.406 1.00 10.41 C ATOM 1001 O LYS A 63 12.286 -6.878 4.555 1.00 9.59 O ATOM 1002 CB LYS A 63 13.943 -7.148 2.084 1.00 13.73 C ATOM 1003 CG LYS A 63 13.733 -8.654 1.857 1.00 16.98 C ATOM 1004 CD LYS A 63 14.983 -9.412 1.389 1.00 20.19 C ATOM 1005 CE LYS A 63 14.933 -10.918 1.407 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.293 -11.440 1.147 1.00 25.97 N ATOM 0 H LYS A 63 13.967 -4.821 2.290 1.00 11.73 H new ATOM 0 HA LYS A 63 12.007 -6.477 1.410 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.483 -6.735 1.232 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.576 -7.008 2.960 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.380 -9.102 2.786 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.944 -8.790 1.117 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.206 -9.095 0.370 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.820 -9.096 2.011 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.570 -11.273 2.372 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.237 -11.282 0.651 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.273 -12.480 1.157 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.620 -11.108 0.217 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.942 -11.099 1.884 1.00 25.97 H new ATOM 1020 N GLU A 64 10.704 -7.448 3.116 1.00 10.04 N ATOM 1021 CA GLU A 64 9.807 -8.075 4.052 1.00 10.94 C ATOM 1022 C GLU A 64 9.168 -7.090 5.049 1.00 9.74 C ATOM 1023 O GLU A 64 8.836 -7.454 6.163 1.00 9.42 O ATOM 1024 CB GLU A 64 10.362 -9.351 4.728 1.00 18.31 C ATOM 1025 CG GLU A 64 10.607 -10.373 3.605 1.00 24.16 C ATOM 1026 CD GLU A 64 11.327 -11.585 4.111 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.293 -11.996 5.280 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.034 -12.120 3.227 1.00 32.61 O ATOM 0 H GLU A 64 10.339 -7.461 2.163 1.00 10.04 H new ATOM 0 HA GLU A 64 8.990 -8.435 3.426 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.287 -9.135 5.263 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.654 -9.741 5.459 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.654 -10.671 3.169 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.190 -9.908 2.810 1.00 24.16 H new ATOM 1035 N SER A 65 9.107 -5.814 4.672 1.00 6.85 N ATOM 1036 CA SER A 65 8.283 -4.801 5.338 1.00 6.90 C ATOM 1037 C SER A 65 6.797 -5.158 5.357 1.00 4.72 C ATOM 1038 O SER A 65 6.251 -5.731 4.429 1.00 3.91 O ATOM 1039 CB SER A 65 8.322 -3.414 4.742 1.00 7.28 C ATOM 1040 OG SER A 65 9.672 -2.955 4.904 1.00 10.56 O ATOM 0 H SER A 65 9.637 -5.447 3.882 1.00 6.85 H new ATOM 0 HA SER A 65 8.738 -4.794 6.328 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.039 -3.433 3.689 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.620 -2.751 5.249 1.00 7.28 H new ATOM 0 HG SER A 65 10.243 -3.373 4.226 1.00 10.56 H new ATOM 1046 N THR A 66 6.143 -4.669 6.447 1.00 4.48 N ATOM 1047 CA THR A 66 4.660 -4.834 6.603 1.00 3.80 C ATOM 1048 C THR A 66 4.005 -3.477 6.504 1.00 4.60 C ATOM 1049 O THR A 66 4.231 -2.568 7.263 1.00 5.33 O ATOM 1050 CB THR A 66 4.315 -5.470 7.976 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.705 -6.857 8.021 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.828 -5.434 8.312 1.00 3.40 C ATOM 0 H THR A 66 6.598 -4.171 7.212 1.00 4.48 H new ATOM 0 HA THR A 66 4.294 -5.493 5.816 1.00 3.80 H new ATOM 0 HB THR A 66 4.865 -4.867 8.698 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.478 -7.232 8.897 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.664 -5.896 9.286 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.486 -4.399 8.339 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.270 -5.981 7.552 1.00 3.40 H new ATOM 1060 N LEU A 67 3.131 -3.329 5.445 1.00 4.17 N ATOM 1061 CA LEU A 67 2.333 -2.146 5.206 1.00 3.85 C ATOM 1062 C LEU A 67 0.880 -2.432 5.519 1.00 3.80 C ATOM 1063 O LEU A 67 0.293 -3.420 5.120 1.00 5.54 O ATOM 1064 CB LEU A 67 2.484 -1.679 3.755 1.00 7.18 C ATOM 1065 CG LEU A 67 3.896 -1.731 3.131 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.927 -1.452 1.705 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.832 -0.763 3.793 1.00 11.66 C ATOM 0 H LEU A 67 2.986 -4.058 4.746 1.00 4.17 H new ATOM 0 HA LEU A 67 2.685 -1.348 5.860 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.821 -2.284 3.137 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.127 -0.651 3.694 1.00 7.18 H new ATOM 0 HG LEU A 67 4.214 -2.761 3.292 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.954 -1.509 1.345 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.317 -2.185 1.177 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.533 -0.453 1.521 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.815 -0.830 3.326 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.446 0.250 3.682 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.917 -1.005 4.852 1.00 11.66 H new ATOM 1079 N HIS A 68 0.264 -1.474 6.185 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.071 -1.625 6.805 1.00 4.17 C ATOM 1081 C HIS A 68 -2.102 -0.950 5.911 1.00 5.32 C ATOM 1082 O HIS A 68 -2.133 0.259 5.740 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.185 -1.146 8.296 1.00 5.57 C ATOM 1084 CG HIS A 68 0.047 -1.379 9.145 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.229 -0.642 9.069 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.281 -2.405 9.971 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.161 -1.264 9.804 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.598 -2.273 10.434 1.00 16.30 N ATOM 0 H HIS A 68 0.670 -0.548 6.322 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.263 -2.696 6.876 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.414 -0.080 8.302 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.029 -1.656 8.761 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.361 0.222 8.544 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.415 -3.189 10.232 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.202 -0.984 9.869 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.097 -1.714 5.408 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.180 -1.212 4.605 1.00 3.97 C ATOM 1098 C LEU A 69 -5.355 -0.744 5.413 1.00 5.07 C ATOM 1099 O LEU A 69 -5.751 -1.355 6.390 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.742 -2.256 3.649 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.930 -1.910 2.739 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.618 -0.780 1.753 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.515 -3.118 1.973 1.00 9.96 C ATOM 0 H LEU A 69 -3.149 -2.720 5.567 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.722 -0.382 4.067 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.924 -2.578 3.004 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.034 -3.119 4.248 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.694 -1.566 3.437 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.496 -0.581 1.138 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.350 0.121 2.305 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.786 -1.074 1.114 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.349 -2.787 1.354 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.744 -3.555 1.339 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.865 -3.865 2.685 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.871 0.472 5.082 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.010 1.080 5.616 1.00 6.26 C ATOM 1117 C VAL A 70 -7.920 1.394 4.436 1.00 9.22 C ATOM 1118 O VAL A 70 -7.518 2.137 3.518 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.792 2.392 6.366 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.146 3.029 6.741 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.986 2.178 7.674 1.00 8.54 C ATOM 0 H VAL A 70 -5.427 1.057 4.374 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.409 0.383 6.353 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.231 3.047 5.699 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.973 3.963 7.275 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.717 3.229 5.835 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.706 2.345 7.379 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.852 3.134 8.179 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.528 1.495 8.328 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.011 1.754 7.435 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.155 0.821 4.451 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.104 1.185 3.428 1.00 16.06 C ATOM 1133 C LEU A 71 -11.114 2.176 3.966 1.00 18.09 C ATOM 1134 O LEU A 71 -11.692 2.038 5.007 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.910 -0.002 2.863 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.015 -1.069 2.225 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.741 -2.382 1.885 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.325 -0.573 0.901 1.00 19.57 C ATOM 0 H LEU A 71 -9.482 0.140 5.136 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.495 1.606 2.628 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.494 -0.454 3.664 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.618 0.365 2.120 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.273 -1.259 3.001 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.036 -3.082 1.438 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.155 -2.815 2.796 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.548 -2.180 1.181 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.704 -1.371 0.494 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.089 -0.300 0.173 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.704 0.296 1.118 1.00 19.57 H new