USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.052) USER MOD Single : A 2 THR OG1 : rot -50:sc= 0.821 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.085) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.41) USER MOD Single : A 20 TYR OH : rot 150:sc= -0.433 USER MOD Single : A 29 SER OG : rot 43:sc= 0.481 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.063) USER MOD Single : A 41 THR OG1 : rot 132:sc= -2.68 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -15:sc=-0.00579 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= -0.0751 (180deg=-0.381) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc=-0.00969 (180deg=-0.155) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= -0.609 USER MOD Single : A 66 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0.03) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.389 (180deg=-0.776) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.561 6.950 11.214 1.00 0.00 N ATOM 2 CA MET A 1 -15.530 8.008 10.830 1.00 0.00 C ATOM 3 C MET A 1 -14.816 9.235 10.273 1.00 0.00 C ATOM 4 O MET A 1 -14.157 9.971 11.007 1.00 0.00 O ATOM 5 CB MET A 1 -16.348 8.391 12.066 1.00 0.00 C ATOM 6 CG MET A 1 -17.390 7.354 12.449 1.00 0.00 C ATOM 7 SD MET A 1 -17.609 7.217 14.233 1.00 0.00 S ATOM 8 CE MET A 1 -19.073 6.188 14.319 1.00 0.00 C ATOM 0 H1 MET A 1 -15.067 6.053 11.362 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.859 6.830 10.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.078 7.224 12.093 1.00 0.00 H new ATOM 0 HA MET A 1 -16.185 7.625 10.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.671 8.542 12.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.845 9.343 11.882 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.343 7.615 11.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.097 6.384 12.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.335 6.014 15.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.900 6.689 13.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.876 5.234 13.830 1.00 0.00 H new ATOM 20 N THR A 2 -14.953 9.449 8.966 1.00 0.00 N ATOM 21 CA THR A 2 -14.320 10.588 8.306 1.00 0.00 C ATOM 22 C THR A 2 -12.815 10.597 8.553 1.00 0.00 C ATOM 23 O THR A 2 -12.188 11.655 8.581 1.00 0.00 O ATOM 24 CB THR A 2 -14.938 11.901 8.797 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.414 12.259 10.063 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.446 11.848 8.919 1.00 0.00 C ATOM 0 H THR A 2 -15.496 8.850 8.344 1.00 0.00 H new ATOM 0 HA THR A 2 -14.492 10.493 7.234 1.00 0.00 H new ATOM 0 HB THR A 2 -14.680 12.641 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.471 11.491 10.670 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.817 12.811 9.271 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.882 11.626 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.726 11.070 9.628 1.00 0.00 H new ATOM 34 N ARG A 3 -12.242 9.411 8.726 1.00 0.00 N ATOM 35 CA ARG A 3 -10.810 9.282 8.968 1.00 0.00 C ATOM 36 C ARG A 3 -10.070 8.946 7.677 1.00 0.00 C ATOM 37 O ARG A 3 -10.636 9.029 6.587 1.00 0.00 O ATOM 38 CB ARG A 3 -10.545 8.202 10.021 1.00 0.00 C ATOM 39 CG ARG A 3 -9.637 8.664 11.150 1.00 0.00 C ATOM 40 CD ARG A 3 -9.130 7.490 11.973 1.00 0.00 C ATOM 41 NE ARG A 3 -10.204 6.565 12.326 1.00 0.00 N ATOM 42 CZ ARG A 3 -11.064 6.771 13.321 1.00 0.00 C ATOM 43 NH1 ARG A 3 -10.982 7.871 14.062 1.00 0.00 N ATOM 44 NH2 ARG A 3 -12.011 5.878 13.576 1.00 0.00 N ATOM 0 H ARG A 3 -12.747 8.525 8.703 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.440 10.238 9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.496 7.875 10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.096 7.335 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.791 9.212 10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.180 9.355 11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.363 6.957 11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.658 7.862 12.883 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.301 5.710 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.257 8.563 13.870 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.644 8.024 14.823 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.081 5.033 13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.670 6.037 14.339 1.00 0.00 H new ATOM 58 N TRP A 4 -8.803 8.567 7.807 1.00 0.00 N ATOM 59 CA TRP A 4 -7.988 8.218 6.648 1.00 0.00 C ATOM 60 C TRP A 4 -7.999 6.712 6.401 1.00 0.00 C ATOM 61 O TRP A 4 -7.114 6.180 5.733 1.00 0.00 O ATOM 62 CB TRP A 4 -6.550 8.702 6.847 1.00 0.00 C ATOM 63 CG TRP A 4 -5.824 8.974 5.564 1.00 0.00 C ATOM 64 CD1 TRP A 4 -5.855 10.124 4.836 1.00 0.00 C ATOM 65 CD2 TRP A 4 -4.960 8.079 4.858 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.062 10.001 3.719 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.502 8.753 3.711 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.531 6.775 5.088 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.632 8.160 2.798 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.670 6.184 4.183 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.226 6.877 3.049 1.00 0.00 C ATOM 0 H TRP A 4 -8.318 8.494 8.702 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.416 8.712 5.775 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.562 9.612 7.448 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -5.999 7.952 7.415 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.421 11.006 5.098 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.916 10.722 3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.866 6.233 5.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.290 8.694 1.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.334 5.172 4.352 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.551 6.390 2.360 1.00 0.00 H new ATOM 82 N VAL A 5 -9.005 6.024 6.941 1.00 0.00 N ATOM 83 CA VAL A 5 -9.111 4.579 6.766 1.00 0.00 C ATOM 84 C VAL A 5 -10.487 4.182 6.233 1.00 0.00 C ATOM 85 O VAL A 5 -11.405 3.903 7.006 1.00 0.00 O ATOM 86 CB VAL A 5 -8.855 3.828 8.088 1.00 0.00 C ATOM 87 CG1 VAL A 5 -8.596 2.352 7.820 1.00 0.00 C ATOM 88 CG2 VAL A 5 -7.692 4.451 8.852 1.00 0.00 C ATOM 0 H VAL A 5 -9.751 6.441 7.498 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.347 4.298 6.041 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.748 3.914 8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.417 1.837 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.464 1.914 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.722 2.247 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.532 3.903 9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.790 4.404 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.922 5.492 9.080 1.00 0.00 H new ATOM 98 N PRO A 6 -10.644 4.142 4.899 1.00 0.00 N ATOM 99 CA PRO A 6 -11.894 3.775 4.250 1.00 0.00 C ATOM 100 C PRO A 6 -12.012 2.266 4.039 1.00 0.00 C ATOM 101 O PRO A 6 -13.007 1.652 4.425 1.00 0.00 O ATOM 102 CB PRO A 6 -11.823 4.501 2.898 1.00 0.00 C ATOM 103 CG PRO A 6 -10.411 4.992 2.748 1.00 0.00 C ATOM 104 CD PRO A 6 -9.614 4.459 3.911 1.00 0.00 C ATOM 0 HA PRO A 6 -12.762 4.050 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.088 3.828 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.528 5.332 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.986 4.650 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.385 6.082 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.036 3.577 3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.907 5.198 4.288 1.00 0.00 H new ATOM 112 N THR A 7 -10.990 1.676 3.417 1.00 0.00 N ATOM 113 CA THR A 7 -10.970 0.239 3.147 1.00 0.00 C ATOM 114 C THR A 7 -11.436 -0.563 4.358 1.00 0.00 C ATOM 115 O THR A 7 -10.829 -0.502 5.427 1.00 0.00 O ATOM 116 CB THR A 7 -9.559 -0.203 2.744 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.556 -1.562 2.346 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.544 -0.049 3.857 1.00 0.00 C ATOM 0 H THR A 7 -10.162 2.174 3.090 1.00 0.00 H new ATOM 0 HA THR A 7 -11.660 0.046 2.326 1.00 0.00 H new ATOM 0 HB THR A 7 -9.274 0.451 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.647 -1.826 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.566 -0.379 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.488 0.998 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.846 -0.654 4.712 1.00 0.00 H new ATOM 126 N LYS A 8 -12.517 -1.314 4.181 1.00 0.00 N ATOM 127 CA LYS A 8 -13.066 -2.130 5.256 1.00 0.00 C ATOM 128 C LYS A 8 -13.637 -3.435 4.712 1.00 0.00 C ATOM 129 O LYS A 8 -13.829 -3.584 3.506 1.00 0.00 O ATOM 130 CB LYS A 8 -14.151 -1.356 6.008 1.00 0.00 C ATOM 131 CG LYS A 8 -14.089 -1.531 7.518 1.00 0.00 C ATOM 132 CD LYS A 8 -13.738 -0.228 8.218 1.00 0.00 C ATOM 133 CE LYS A 8 -12.928 -0.475 9.481 1.00 0.00 C ATOM 134 NZ LYS A 8 -13.649 -1.359 10.438 1.00 0.00 N ATOM 0 H LYS A 8 -13.031 -1.374 3.302 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.257 -2.370 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.061 -0.296 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.129 -1.680 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.050 -1.893 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.347 -2.290 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.171 0.409 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.653 0.309 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.973 -0.928 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.707 0.477 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.111 -1.421 11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.592 -0.965 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.748 -2.309 10.026 1.00 0.00 H new ATOM 148 N ARG A 9 -13.905 -4.378 5.608 1.00 0.00 N ATOM 149 CA ARG A 9 -14.453 -5.671 5.215 1.00 0.00 C ATOM 150 C ARG A 9 -13.503 -6.398 4.268 1.00 0.00 C ATOM 151 O ARG A 9 -13.936 -7.168 3.409 1.00 0.00 O ATOM 152 CB ARG A 9 -15.820 -5.487 4.551 1.00 0.00 C ATOM 153 CG ARG A 9 -16.935 -6.268 5.225 1.00 0.00 C ATOM 154 CD ARG A 9 -18.301 -5.850 4.705 1.00 0.00 C ATOM 155 NE ARG A 9 -18.400 -5.996 3.254 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.356 -5.435 2.516 1.00 0.00 C ATOM 157 NH1 ARG A 9 -20.293 -4.689 3.089 1.00 0.00 N ATOM 158 NH2 ARG A 9 -19.374 -5.618 1.204 1.00 0.00 N ATOM 0 H ARG A 9 -13.752 -4.272 6.611 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.574 -6.277 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.076 -4.428 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.752 -5.795 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.790 -7.334 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.891 -6.111 6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.072 -6.453 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.492 -4.813 4.979 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.696 -6.561 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.283 -4.544 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.023 -4.261 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.655 -6.189 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.106 -5.188 0.639 1.00 0.00 H new ATOM 172 N GLU A 10 -12.209 -6.146 4.428 1.00 0.00 N ATOM 173 CA GLU A 10 -11.197 -6.775 3.587 1.00 0.00 C ATOM 174 C GLU A 10 -10.241 -7.621 4.424 1.00 0.00 C ATOM 175 O GLU A 10 -9.610 -7.123 5.355 1.00 0.00 O ATOM 176 CB GLU A 10 -10.415 -5.710 2.813 1.00 0.00 C ATOM 177 CG GLU A 10 -10.358 -5.964 1.316 1.00 0.00 C ATOM 178 CD GLU A 10 -11.559 -5.396 0.584 1.00 0.00 C ATOM 179 OE1 GLU A 10 -12.656 -5.981 0.698 1.00 0.00 O ATOM 180 OE2 GLU A 10 -11.402 -4.366 -0.103 1.00 0.00 O ATOM 0 H GLU A 10 -11.835 -5.510 5.133 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.704 -7.430 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.871 -4.736 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.399 -5.662 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.447 -5.523 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.300 -7.037 1.135 1.00 0.00 H new ATOM 187 N GLU A 11 -10.142 -8.902 4.086 1.00 0.00 N ATOM 188 CA GLU A 11 -9.264 -9.817 4.805 1.00 0.00 C ATOM 189 C GLU A 11 -8.258 -10.466 3.860 1.00 0.00 C ATOM 190 O GLU A 11 -7.915 -11.638 4.011 1.00 0.00 O ATOM 191 CB GLU A 11 -10.088 -10.897 5.511 1.00 0.00 C ATOM 192 CG GLU A 11 -9.260 -11.805 6.406 1.00 0.00 C ATOM 193 CD GLU A 11 -9.534 -13.276 6.159 1.00 0.00 C ATOM 194 OE1 GLU A 11 -9.347 -13.731 5.011 1.00 0.00 O ATOM 195 OE2 GLU A 11 -9.939 -13.972 7.114 1.00 0.00 O ATOM 0 H GLU A 11 -10.659 -9.330 3.318 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.714 -9.242 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.862 -10.418 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.595 -11.504 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.201 -11.604 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.470 -11.570 7.449 1.00 0.00 H new ATOM 202 N LYS A 12 -7.791 -9.696 2.883 1.00 0.00 N ATOM 203 CA LYS A 12 -6.825 -10.198 1.912 1.00 0.00 C ATOM 204 C LYS A 12 -5.799 -9.126 1.560 1.00 0.00 C ATOM 205 O LYS A 12 -5.899 -7.984 2.010 1.00 0.00 O ATOM 206 CB LYS A 12 -7.541 -10.674 0.647 1.00 0.00 C ATOM 207 CG LYS A 12 -8.315 -11.968 0.836 1.00 0.00 C ATOM 208 CD LYS A 12 -9.690 -11.904 0.183 1.00 0.00 C ATOM 209 CE LYS A 12 -9.824 -12.925 -0.937 1.00 0.00 C ATOM 210 NZ LYS A 12 -11.211 -13.458 -1.037 1.00 0.00 N ATOM 0 H LYS A 12 -8.065 -8.724 2.742 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.301 -11.041 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.227 -9.896 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.806 -10.813 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.748 -12.796 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.427 -12.173 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.459 -12.083 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.859 -10.903 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.542 -12.465 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.130 -13.748 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.262 -14.150 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.471 -13.920 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.870 -12.677 -1.228 1.00 0.00 H new ATOM 224 N TYR A 13 -4.814 -9.500 0.751 1.00 0.00 N ATOM 225 CA TYR A 13 -3.768 -8.572 0.337 1.00 0.00 C ATOM 226 C TYR A 13 -3.592 -8.594 -1.178 1.00 0.00 C ATOM 227 O TYR A 13 -4.277 -9.336 -1.882 1.00 0.00 O ATOM 228 CB TYR A 13 -2.444 -8.923 1.021 1.00 0.00 C ATOM 229 CG TYR A 13 -2.140 -10.405 1.032 1.00 0.00 C ATOM 230 CD1 TYR A 13 -1.988 -11.112 -0.157 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.005 -11.097 2.228 1.00 0.00 C ATOM 232 CE1 TYR A 13 -1.710 -12.465 -0.150 1.00 0.00 C ATOM 233 CE2 TYR A 13 -1.726 -12.450 2.242 1.00 0.00 C ATOM 234 CZ TYR A 13 -1.580 -13.130 1.052 1.00 0.00 C ATOM 235 OH TYR A 13 -1.302 -14.478 1.062 1.00 0.00 O ATOM 0 H TYR A 13 -4.718 -10.441 0.368 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.068 -7.568 0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.633 -8.398 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.468 -8.558 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.089 -10.595 -1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.120 -10.569 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.595 -13.000 -1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.623 -12.973 3.181 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.241 -14.793 1.988 1.00 0.00 H new ATOM 245 N GLY A 14 -2.670 -7.774 -1.672 1.00 0.00 N ATOM 246 CA GLY A 14 -2.420 -7.714 -3.101 1.00 0.00 C ATOM 247 C GLY A 14 -0.941 -7.722 -3.432 1.00 0.00 C ATOM 248 O GLY A 14 -0.123 -8.181 -2.634 1.00 0.00 O ATOM 0 H GLY A 14 -2.092 -7.150 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.902 -8.562 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.875 -6.812 -3.509 1.00 0.00 H new ATOM 252 N VAL A 15 -0.596 -7.213 -4.609 1.00 0.00 N ATOM 253 CA VAL A 15 0.795 -7.163 -5.040 1.00 0.00 C ATOM 254 C VAL A 15 1.161 -5.777 -5.561 1.00 0.00 C ATOM 255 O VAL A 15 0.300 -5.025 -6.016 1.00 0.00 O ATOM 256 CB VAL A 15 1.083 -8.204 -6.142 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.560 -8.198 -6.513 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.647 -9.590 -5.693 1.00 0.00 C ATOM 0 H VAL A 15 -1.260 -6.829 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 15 1.403 -7.393 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 15 0.508 -7.935 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.743 -8.939 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.839 -7.210 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.157 -8.441 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.858 -10.311 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.193 -9.869 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.422 -9.585 -5.482 1.00 0.00 H new ATOM 268 N ALA A 16 2.445 -5.449 -5.490 1.00 0.00 N ATOM 269 CA ALA A 16 2.934 -4.158 -5.952 1.00 0.00 C ATOM 270 C ALA A 16 4.140 -4.330 -6.869 1.00 0.00 C ATOM 271 O ALA A 16 5.228 -4.679 -6.411 1.00 0.00 O ATOM 272 CB ALA A 16 3.298 -3.277 -4.767 1.00 0.00 C ATOM 0 H ALA A 16 3.168 -6.063 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 16 2.138 -3.676 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.662 -2.315 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.417 -3.122 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.077 -3.762 -4.178 1.00 0.00 H new ATOM 278 N PHE A 17 3.947 -4.085 -8.161 1.00 0.00 N ATOM 279 CA PHE A 17 5.036 -4.217 -9.119 1.00 0.00 C ATOM 280 C PHE A 17 5.604 -2.852 -9.492 1.00 0.00 C ATOM 281 O PHE A 17 5.127 -2.196 -10.416 1.00 0.00 O ATOM 282 CB PHE A 17 4.560 -4.957 -10.374 1.00 0.00 C ATOM 283 CG PHE A 17 3.474 -4.245 -11.133 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.163 -4.272 -10.684 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.765 -3.554 -12.300 1.00 0.00 C ATOM 286 CE1 PHE A 17 1.163 -3.622 -11.383 1.00 0.00 C ATOM 287 CE2 PHE A 17 2.768 -2.903 -13.003 1.00 0.00 C ATOM 288 CZ PHE A 17 1.467 -2.937 -12.543 1.00 0.00 C ATOM 0 H PHE A 17 3.056 -3.797 -8.565 1.00 0.00 H new ATOM 0 HA PHE A 17 5.829 -4.799 -8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.411 -5.110 -11.037 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.199 -5.944 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.920 -4.807 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.782 -3.524 -12.664 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.145 -3.650 -11.022 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.007 -2.369 -13.911 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.687 -2.428 -13.090 1.00 0.00 H new ATOM 298 N TYR A 18 6.635 -2.435 -8.766 1.00 0.00 N ATOM 299 CA TYR A 18 7.280 -1.153 -9.019 1.00 0.00 C ATOM 300 C TYR A 18 8.669 -1.106 -8.391 1.00 0.00 C ATOM 301 O TYR A 18 9.071 -2.026 -7.678 1.00 0.00 O ATOM 302 CB TYR A 18 6.422 -0.008 -8.479 1.00 0.00 C ATOM 303 CG TYR A 18 6.309 1.164 -9.428 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.432 1.128 -10.506 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.082 2.303 -9.250 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.329 2.196 -11.376 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.984 3.376 -10.116 1.00 0.00 C ATOM 308 CZ TYR A 18 6.105 3.317 -11.177 1.00 0.00 C ATOM 309 OH TYR A 18 6.005 4.382 -12.042 1.00 0.00 O ATOM 0 H TYR A 18 7.042 -2.967 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 18 7.387 -1.038 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.423 -0.385 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.845 0.338 -7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.822 0.251 -10.666 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.772 2.352 -8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.643 2.152 -12.209 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.592 4.255 -9.963 1.00 0.00 H new ATOM 0 HH TYR A 18 6.619 5.092 -11.760 1.00 0.00 H new ATOM 319 N ASN A 19 9.390 -0.022 -8.650 1.00 0.00 N ATOM 320 CA ASN A 19 10.728 0.157 -8.102 1.00 0.00 C ATOM 321 C ASN A 19 10.787 1.419 -7.246 1.00 0.00 C ATOM 322 O ASN A 19 11.498 2.371 -7.568 1.00 0.00 O ATOM 323 CB ASN A 19 11.760 0.240 -9.230 1.00 0.00 C ATOM 324 CG ASN A 19 11.680 -0.946 -10.172 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.468 -1.886 -10.074 1.00 0.00 O ATOM 326 ND2 ASN A 19 10.723 -0.906 -11.094 1.00 0.00 N ATOM 0 H ASN A 19 9.069 0.748 -9.237 1.00 0.00 H new ATOM 0 HA ASN A 19 10.962 -0.704 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.605 1.160 -9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.761 0.293 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.620 -1.675 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.091 -0.106 -11.139 1.00 0.00 H new ATOM 333 N TYR A 20 10.024 1.422 -6.158 1.00 0.00 N ATOM 334 CA TYR A 20 9.977 2.570 -5.257 1.00 0.00 C ATOM 335 C TYR A 20 10.737 2.287 -3.966 1.00 0.00 C ATOM 336 O TYR A 20 10.690 1.177 -3.435 1.00 0.00 O ATOM 337 CB TYR A 20 8.522 2.929 -4.942 1.00 0.00 C ATOM 338 CG TYR A 20 8.371 4.155 -4.067 1.00 0.00 C ATOM 339 CD1 TYR A 20 9.205 5.254 -4.223 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.390 4.211 -3.084 1.00 0.00 C ATOM 341 CE1 TYR A 20 9.067 6.374 -3.426 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.246 5.327 -2.283 1.00 0.00 C ATOM 343 CZ TYR A 20 8.085 6.406 -2.458 1.00 0.00 C ATOM 344 OH TYR A 20 7.943 7.520 -1.662 1.00 0.00 O ATOM 0 H TYR A 20 9.429 0.642 -5.878 1.00 0.00 H new ATOM 0 HA TYR A 20 10.456 3.413 -5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.987 3.094 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.047 2.081 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.975 5.233 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.729 3.368 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.725 7.220 -3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.479 5.354 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 20 7.004 7.615 -1.397 1.00 0.00 H new ATOM 354 N ASP A 21 11.435 3.302 -3.464 1.00 0.00 N ATOM 355 CA ASP A 21 12.202 3.168 -2.233 1.00 0.00 C ATOM 356 C ASP A 21 11.613 4.039 -1.130 1.00 0.00 C ATOM 357 O ASP A 21 11.008 5.077 -1.402 1.00 0.00 O ATOM 358 CB ASP A 21 13.666 3.547 -2.475 1.00 0.00 C ATOM 359 CG ASP A 21 14.631 2.516 -1.924 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.264 1.323 -1.882 1.00 0.00 O ATOM 361 OD2 ASP A 21 15.752 2.901 -1.533 1.00 0.00 O ATOM 0 H ASP A 21 11.484 4.226 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 21 12.153 2.127 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.836 3.663 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.869 4.513 -2.013 1.00 0.00 H new ATOM 366 N ALA A 22 11.790 3.613 0.116 1.00 0.00 N ATOM 367 CA ALA A 22 11.272 4.354 1.258 1.00 0.00 C ATOM 368 C ALA A 22 12.346 5.247 1.871 1.00 0.00 C ATOM 369 O ALA A 22 13.468 4.804 2.122 1.00 0.00 O ATOM 370 CB ALA A 22 10.721 3.395 2.303 1.00 0.00 C ATOM 0 H ALA A 22 12.289 2.757 0.360 1.00 0.00 H new ATOM 0 HA ALA A 22 10.464 4.995 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.337 3.962 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.915 2.805 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.515 2.730 2.641 1.00 0.00 H new ATOM 376 N ARG A 23 11.995 6.506 2.111 1.00 0.00 N ATOM 377 CA ARG A 23 12.927 7.462 2.697 1.00 0.00 C ATOM 378 C ARG A 23 12.615 7.682 4.175 1.00 0.00 C ATOM 379 O ARG A 23 12.860 8.761 4.719 1.00 0.00 O ATOM 380 CB ARG A 23 12.864 8.792 1.943 1.00 0.00 C ATOM 381 CG ARG A 23 14.225 9.295 1.485 1.00 0.00 C ATOM 382 CD ARG A 23 14.860 8.346 0.482 1.00 0.00 C ATOM 383 NE ARG A 23 14.042 8.190 -0.719 1.00 0.00 N ATOM 384 CZ ARG A 23 14.454 7.566 -1.820 1.00 0.00 C ATOM 385 NH1 ARG A 23 15.671 7.040 -1.879 1.00 0.00 N ATOM 386 NH2 ARG A 23 13.646 7.467 -2.867 1.00 0.00 N ATOM 0 H ARG A 23 11.071 6.888 1.909 1.00 0.00 H new ATOM 0 HA ARG A 23 13.935 7.055 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.216 8.677 1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.405 9.543 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.117 10.282 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.882 9.407 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.845 8.720 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.008 7.372 0.948 1.00 0.00 H new ATOM 0 HE ARG A 23 13.100 8.582 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.297 7.113 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.980 6.563 -2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.709 7.869 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.961 6.989 -3.711 1.00 0.00 H new ATOM 400 N GLY A 24 12.073 6.653 4.819 1.00 0.00 N ATOM 401 CA GLY A 24 11.736 6.751 6.227 1.00 0.00 C ATOM 402 C GLY A 24 10.487 5.965 6.575 1.00 0.00 C ATOM 403 O GLY A 24 9.844 5.387 5.698 1.00 0.00 O ATOM 0 H GLY A 24 11.861 5.752 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.571 6.385 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.589 7.798 6.491 1.00 0.00 H new ATOM 407 N ALA A 25 10.143 5.942 7.858 1.00 0.00 N ATOM 408 CA ALA A 25 8.963 5.220 8.319 1.00 0.00 C ATOM 409 C ALA A 25 7.697 5.741 7.645 1.00 0.00 C ATOM 410 O ALA A 25 6.718 5.012 7.491 1.00 0.00 O ATOM 411 CB ALA A 25 8.839 5.328 9.833 1.00 0.00 C ATOM 0 H ALA A 25 10.664 6.415 8.597 1.00 0.00 H new ATOM 0 HA ALA A 25 9.081 4.171 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.954 4.785 10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.725 4.900 10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.749 6.377 10.117 1.00 0.00 H new ATOM 417 N ASP A 26 7.724 7.009 7.245 1.00 0.00 N ATOM 418 CA ASP A 26 6.578 7.629 6.588 1.00 0.00 C ATOM 419 C ASP A 26 6.208 6.881 5.309 1.00 0.00 C ATOM 420 O ASP A 26 5.032 6.650 5.031 1.00 0.00 O ATOM 421 CB ASP A 26 6.879 9.096 6.269 1.00 0.00 C ATOM 422 CG ASP A 26 5.797 10.031 6.775 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.640 9.894 6.330 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.110 10.898 7.617 1.00 0.00 O ATOM 0 H ASP A 26 8.527 7.627 7.364 1.00 0.00 H new ATOM 0 HA ASP A 26 5.730 7.579 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.834 9.374 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.985 9.216 5.191 1.00 0.00 H new ATOM 429 N GLU A 27 7.221 6.506 4.533 1.00 0.00 N ATOM 430 CA GLU A 27 7.000 5.785 3.285 1.00 0.00 C ATOM 431 C GLU A 27 7.340 4.306 3.440 1.00 0.00 C ATOM 432 O GLU A 27 7.683 3.848 4.530 1.00 0.00 O ATOM 433 CB GLU A 27 7.839 6.399 2.163 1.00 0.00 C ATOM 434 CG GLU A 27 7.119 7.496 1.395 1.00 0.00 C ATOM 435 CD GLU A 27 6.620 8.606 2.299 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.449 9.215 3.006 1.00 0.00 O ATOM 437 OE2 GLU A 27 5.397 8.868 2.299 1.00 0.00 O ATOM 0 H GLU A 27 8.201 6.690 4.747 1.00 0.00 H new ATOM 0 HA GLU A 27 5.944 5.869 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.756 6.807 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.132 5.612 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.794 7.915 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.276 7.064 0.856 1.00 0.00 H new ATOM 444 N LEU A 28 7.239 3.564 2.341 1.00 0.00 N ATOM 445 CA LEU A 28 7.535 2.135 2.353 1.00 0.00 C ATOM 446 C LEU A 28 8.227 1.709 1.063 1.00 0.00 C ATOM 447 O LEU A 28 7.757 2.011 -0.034 1.00 0.00 O ATOM 448 CB LEU A 28 6.248 1.327 2.545 1.00 0.00 C ATOM 449 CG LEU A 28 6.313 0.247 3.629 1.00 0.00 C ATOM 450 CD1 LEU A 28 5.036 -0.579 3.632 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.527 -0.646 3.420 1.00 0.00 C ATOM 0 H LEU A 28 6.955 3.928 1.432 1.00 0.00 H new ATOM 0 HA LEU A 28 8.209 1.938 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.438 2.015 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.990 0.854 1.598 1.00 0.00 H new ATOM 0 HG LEU A 28 6.410 0.736 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.098 -1.342 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.183 0.070 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.910 -1.058 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.557 -1.407 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.461 -1.128 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.434 -0.043 3.466 1.00 0.00 H new ATOM 463 N SER A 29 9.343 1.000 1.200 1.00 0.00 N ATOM 464 CA SER A 29 10.094 0.527 0.044 1.00 0.00 C ATOM 465 C SER A 29 9.348 -0.608 -0.649 1.00 0.00 C ATOM 466 O SER A 29 9.185 -1.690 -0.085 1.00 0.00 O ATOM 467 CB SER A 29 11.485 0.055 0.471 1.00 0.00 C ATOM 468 OG SER A 29 11.401 -0.939 1.477 1.00 0.00 O ATOM 0 H SER A 29 9.747 0.741 2.100 1.00 0.00 H new ATOM 0 HA SER A 29 10.202 1.354 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.019 -0.342 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.062 0.903 0.840 1.00 0.00 H new ATOM 0 HG SER A 29 10.695 -1.579 1.247 1.00 0.00 H new ATOM 474 N LEU A 30 8.890 -0.354 -1.870 1.00 0.00 N ATOM 475 CA LEU A 30 8.154 -1.357 -2.630 1.00 0.00 C ATOM 476 C LEU A 30 8.970 -1.859 -3.819 1.00 0.00 C ATOM 477 O LEU A 30 9.558 -1.070 -4.560 1.00 0.00 O ATOM 478 CB LEU A 30 6.821 -0.783 -3.116 1.00 0.00 C ATOM 479 CG LEU A 30 5.622 -1.091 -2.217 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.365 -0.423 -2.757 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.419 -2.594 -2.094 1.00 0.00 C ATOM 0 H LEU A 30 9.015 0.535 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 30 7.960 -2.202 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.920 0.299 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.617 -1.170 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 30 5.824 -0.690 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.522 -0.653 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.513 0.656 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.159 -0.794 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.562 -2.794 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.239 -3.019 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.311 -3.047 -1.661 1.00 0.00 H new ATOM 493 N GLN A 31 8.996 -3.176 -3.991 1.00 0.00 N ATOM 494 CA GLN A 31 9.732 -3.792 -5.088 1.00 0.00 C ATOM 495 C GLN A 31 8.833 -4.738 -5.877 1.00 0.00 C ATOM 496 O GLN A 31 7.837 -5.240 -5.357 1.00 0.00 O ATOM 497 CB GLN A 31 10.946 -4.553 -4.550 1.00 0.00 C ATOM 498 CG GLN A 31 11.862 -3.704 -3.683 1.00 0.00 C ATOM 499 CD GLN A 31 13.166 -3.358 -4.376 1.00 0.00 C ATOM 500 OE1 GLN A 31 14.214 -3.928 -4.074 1.00 0.00 O ATOM 501 NE2 GLN A 31 13.108 -2.415 -5.311 1.00 0.00 N ATOM 0 H GLN A 31 8.515 -3.839 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 31 10.075 -3.001 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.600 -5.408 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.518 -4.948 -5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.346 -2.784 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.077 -4.238 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.218 -1.968 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.954 -2.138 -5.809 1.00 0.00 H new ATOM 510 N ILE A 32 9.189 -4.976 -7.134 1.00 0.00 N ATOM 511 CA ILE A 32 8.411 -5.861 -7.993 1.00 0.00 C ATOM 512 C ILE A 32 8.465 -7.301 -7.495 1.00 0.00 C ATOM 513 O ILE A 32 9.538 -7.828 -7.197 1.00 0.00 O ATOM 514 CB ILE A 32 8.906 -5.805 -9.452 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.935 -4.356 -9.944 1.00 0.00 C ATOM 516 CG2 ILE A 32 8.019 -6.655 -10.350 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.890 -4.125 -11.095 1.00 0.00 C ATOM 0 H ILE A 32 10.011 -4.569 -7.581 1.00 0.00 H new ATOM 0 HA ILE A 32 7.379 -5.512 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 32 9.918 -6.207 -9.492 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.931 -4.066 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.214 -3.705 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.384 -6.603 -11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.041 -7.690 -10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.996 -6.281 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.857 -3.076 -11.390 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.903 -4.383 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.599 -4.749 -11.940 1.00 0.00 H new ATOM 529 N GLY A 33 7.298 -7.932 -7.407 1.00 0.00 N ATOM 530 CA GLY A 33 7.227 -9.305 -6.944 1.00 0.00 C ATOM 531 C GLY A 33 6.913 -9.410 -5.461 1.00 0.00 C ATOM 532 O GLY A 33 6.785 -10.511 -4.926 1.00 0.00 O ATOM 0 H GLY A 33 6.399 -7.515 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.463 -9.836 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.176 -9.801 -7.146 1.00 0.00 H new ATOM 536 N ASP A 34 6.790 -8.265 -4.794 1.00 0.00 N ATOM 537 CA ASP A 34 6.494 -8.240 -3.366 1.00 0.00 C ATOM 538 C ASP A 34 4.997 -8.078 -3.116 1.00 0.00 C ATOM 539 O ASP A 34 4.323 -7.309 -3.802 1.00 0.00 O ATOM 540 CB ASP A 34 7.255 -7.099 -2.690 1.00 0.00 C ATOM 541 CG ASP A 34 8.722 -7.422 -2.485 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.271 -8.217 -3.279 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.324 -6.880 -1.535 1.00 0.00 O ATOM 0 H ASP A 34 6.891 -7.344 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 34 6.813 -9.192 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.166 -6.198 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.796 -6.881 -1.726 1.00 0.00 H new ATOM 548 N THR A 35 4.489 -8.797 -2.121 1.00 0.00 N ATOM 549 CA THR A 35 3.076 -8.724 -1.769 1.00 0.00 C ATOM 550 C THR A 35 2.858 -7.665 -0.693 1.00 0.00 C ATOM 551 O THR A 35 3.706 -7.475 0.177 1.00 0.00 O ATOM 552 CB THR A 35 2.576 -10.083 -1.277 1.00 0.00 C ATOM 553 OG1 THR A 35 2.938 -11.108 -2.183 1.00 0.00 O ATOM 554 CG2 THR A 35 1.074 -10.137 -1.099 1.00 0.00 C ATOM 0 H THR A 35 5.035 -9.437 -1.544 1.00 0.00 H new ATOM 0 HA THR A 35 2.511 -8.447 -2.659 1.00 0.00 H new ATOM 0 HB THR A 35 3.047 -10.231 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.611 -11.970 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.785 -11.128 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.767 -9.389 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.587 -9.933 -2.053 1.00 0.00 H new ATOM 562 N VAL A 36 1.726 -6.973 -0.759 1.00 0.00 N ATOM 563 CA VAL A 36 1.421 -5.931 0.214 1.00 0.00 C ATOM 564 C VAL A 36 -0.012 -6.032 0.724 1.00 0.00 C ATOM 565 O VAL A 36 -0.938 -6.306 -0.038 1.00 0.00 O ATOM 566 CB VAL A 36 1.635 -4.528 -0.385 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.115 -4.258 -0.601 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.863 -4.381 -1.687 1.00 0.00 C ATOM 0 H VAL A 36 1.009 -7.113 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 36 2.106 -6.081 1.049 1.00 0.00 H new ATOM 0 HB VAL A 36 1.256 -3.790 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.245 -3.262 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.639 -4.318 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.524 -5.000 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.026 -3.384 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.210 -5.127 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.201 -4.526 -1.498 1.00 0.00 H new ATOM 578 N HIS A 37 -0.181 -5.794 2.021 1.00 0.00 N ATOM 579 CA HIS A 37 -1.497 -5.840 2.645 1.00 0.00 C ATOM 580 C HIS A 37 -1.975 -4.428 2.969 1.00 0.00 C ATOM 581 O HIS A 37 -1.440 -3.772 3.864 1.00 0.00 O ATOM 582 CB HIS A 37 -1.455 -6.687 3.918 1.00 0.00 C ATOM 583 CG HIS A 37 -2.798 -6.877 4.554 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.301 -6.028 5.519 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.745 -7.826 4.359 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.498 -6.447 5.889 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.790 -7.536 5.200 1.00 0.00 N ATOM 0 H HIS A 37 0.580 -5.567 2.661 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.197 -6.298 1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.032 -7.664 3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.785 -6.215 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -3.688 -8.656 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.130 -5.979 6.629 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.653 -8.074 5.280 1.00 0.00 H new ATOM 596 N ILE A 38 -2.971 -3.962 2.224 1.00 0.00 N ATOM 597 CA ILE A 38 -3.511 -2.621 2.416 1.00 0.00 C ATOM 598 C ILE A 38 -4.369 -2.533 3.675 1.00 0.00 C ATOM 599 O ILE A 38 -5.285 -3.330 3.874 1.00 0.00 O ATOM 600 CB ILE A 38 -4.354 -2.178 1.205 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.575 -2.389 -0.096 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.766 -0.719 1.350 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.402 -3.007 -1.202 1.00 0.00 C ATOM 0 H ILE A 38 -3.422 -4.494 1.480 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.654 -1.955 2.523 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.256 -2.789 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.186 -1.429 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.715 -3.028 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.361 -0.421 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.357 -0.596 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.875 -0.094 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.786 -3.127 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.769 -3.982 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.247 -2.358 -1.430 1.00 0.00 H new ATOM 615 N LEU A 39 -4.071 -1.544 4.512 1.00 0.00 N ATOM 616 CA LEU A 39 -4.817 -1.330 5.747 1.00 0.00 C ATOM 617 C LEU A 39 -5.643 -0.051 5.648 1.00 0.00 C ATOM 618 O LEU A 39 -6.744 0.035 6.192 1.00 0.00 O ATOM 619 CB LEU A 39 -3.863 -1.251 6.942 1.00 0.00 C ATOM 620 CG LEU A 39 -2.793 -0.162 6.851 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.275 1.115 7.521 1.00 0.00 C ATOM 622 CD2 LEU A 39 -1.493 -0.637 7.482 1.00 0.00 C ATOM 0 H LEU A 39 -3.316 -0.876 4.357 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.491 -2.174 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.451 -1.086 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.368 -2.215 7.056 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.607 0.050 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.501 1.879 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.180 1.466 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.489 0.916 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.743 0.151 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.664 -0.877 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.138 -1.525 6.960 1.00 0.00 H new ATOM 634 N GLU A 40 -5.103 0.936 4.941 1.00 0.00 N ATOM 635 CA GLU A 40 -5.782 2.212 4.751 1.00 0.00 C ATOM 636 C GLU A 40 -5.937 2.512 3.264 1.00 0.00 C ATOM 637 O GLU A 40 -5.310 1.862 2.430 1.00 0.00 O ATOM 638 CB GLU A 40 -5.008 3.340 5.439 1.00 0.00 C ATOM 639 CG GLU A 40 -5.530 3.680 6.825 1.00 0.00 C ATOM 640 CD GLU A 40 -4.517 4.439 7.659 1.00 0.00 C ATOM 641 OE1 GLU A 40 -3.402 3.915 7.860 1.00 0.00 O ATOM 642 OE2 GLU A 40 -4.839 5.558 8.111 1.00 0.00 O ATOM 0 H GLU A 40 -4.191 0.875 4.488 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.772 2.146 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.959 3.055 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.052 4.232 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.438 4.276 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.805 2.760 7.342 1.00 0.00 H new ATOM 649 N THR A 41 -6.772 3.494 2.938 1.00 0.00 N ATOM 650 CA THR A 41 -7.005 3.870 1.546 1.00 0.00 C ATOM 651 C THR A 41 -7.616 5.266 1.446 1.00 0.00 C ATOM 652 O THR A 41 -7.841 5.931 2.458 1.00 0.00 O ATOM 653 CB THR A 41 -7.930 2.859 0.862 1.00 0.00 C ATOM 654 OG1 THR A 41 -9.064 2.591 1.667 1.00 0.00 O ATOM 655 CG2 THR A 41 -7.260 1.538 0.559 1.00 0.00 C ATOM 0 H THR A 41 -7.298 4.044 3.617 1.00 0.00 H new ATOM 0 HA THR A 41 -6.039 3.874 1.042 1.00 0.00 H new ATOM 0 HB THR A 41 -8.215 3.325 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.875 2.653 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.973 0.871 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.411 1.704 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.912 1.085 1.487 1.00 0.00 H new ATOM 663 N TYR A 42 -7.884 5.698 0.215 1.00 0.00 N ATOM 664 CA TYR A 42 -8.474 7.010 -0.034 1.00 0.00 C ATOM 665 C TYR A 42 -8.652 7.244 -1.530 1.00 0.00 C ATOM 666 O TYR A 42 -9.775 7.345 -2.027 1.00 0.00 O ATOM 667 CB TYR A 42 -7.594 8.115 0.560 1.00 0.00 C ATOM 668 CG TYR A 42 -8.334 9.408 0.817 1.00 0.00 C ATOM 669 CD1 TYR A 42 -9.560 9.411 1.471 1.00 0.00 C ATOM 670 CD2 TYR A 42 -7.807 10.625 0.406 1.00 0.00 C ATOM 671 CE1 TYR A 42 -10.240 10.590 1.707 1.00 0.00 C ATOM 672 CE2 TYR A 42 -8.481 11.809 0.639 1.00 0.00 C ATOM 673 CZ TYR A 42 -9.697 11.786 1.290 1.00 0.00 C ATOM 674 OH TYR A 42 -10.369 12.963 1.524 1.00 0.00 O ATOM 0 H TYR A 42 -7.700 5.155 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.452 7.037 0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.164 7.761 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.764 8.310 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.988 8.476 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.855 10.647 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.193 10.575 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.058 12.748 0.313 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.849 13.713 1.168 1.00 0.00 H new ATOM 684 N GLU A 43 -7.533 7.328 -2.241 1.00 0.00 N ATOM 685 CA GLU A 43 -7.540 7.549 -3.683 1.00 0.00 C ATOM 686 C GLU A 43 -6.113 7.671 -4.199 1.00 0.00 C ATOM 687 O GLU A 43 -5.468 8.707 -4.030 1.00 0.00 O ATOM 688 CB GLU A 43 -8.333 8.811 -4.030 1.00 0.00 C ATOM 689 CG GLU A 43 -8.002 10.001 -3.142 1.00 0.00 C ATOM 690 CD GLU A 43 -8.726 11.264 -3.564 1.00 0.00 C ATOM 691 OE1 GLU A 43 -9.894 11.163 -3.995 1.00 0.00 O ATOM 692 OE2 GLU A 43 -8.124 12.353 -3.467 1.00 0.00 O ATOM 0 H GLU A 43 -6.600 7.245 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.020 6.696 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.139 9.078 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.398 8.594 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.264 9.764 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.927 10.178 -3.165 1.00 0.00 H new ATOM 699 N GLY A 44 -5.612 6.603 -4.815 1.00 0.00 N ATOM 700 CA GLY A 44 -4.251 6.617 -5.319 1.00 0.00 C ATOM 701 C GLY A 44 -3.247 6.863 -4.211 1.00 0.00 C ATOM 702 O GLY A 44 -2.147 7.362 -4.452 1.00 0.00 O ATOM 0 H GLY A 44 -6.121 5.734 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.032 5.666 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.152 7.392 -6.079 1.00 0.00 H new ATOM 706 N TRP A 45 -3.640 6.519 -2.987 1.00 0.00 N ATOM 707 CA TRP A 45 -2.791 6.705 -1.817 1.00 0.00 C ATOM 708 C TRP A 45 -3.280 5.821 -0.674 1.00 0.00 C ATOM 709 O TRP A 45 -4.152 6.219 0.098 1.00 0.00 O ATOM 710 CB TRP A 45 -2.817 8.177 -1.395 1.00 0.00 C ATOM 711 CG TRP A 45 -1.512 8.739 -0.890 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.367 9.912 -0.205 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.182 8.193 -1.026 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.046 10.132 0.093 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.701 9.097 -0.396 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.355 7.038 -1.608 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.074 8.882 -0.335 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.722 6.830 -1.546 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.565 7.746 -0.914 1.00 0.00 C ATOM 0 H TRP A 45 -4.550 6.106 -2.781 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.768 6.422 -2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.142 8.774 -2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.569 8.298 -0.615 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.178 10.573 0.064 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.320 10.939 0.599 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.287 6.321 -2.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.729 9.588 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.144 5.943 -1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.627 7.553 -0.882 1.00 0.00 H new ATOM 730 N TYR A 46 -2.730 4.614 -0.579 1.00 0.00 N ATOM 731 CA TYR A 46 -3.134 3.674 0.462 1.00 0.00 C ATOM 732 C TYR A 46 -1.958 3.300 1.359 1.00 0.00 C ATOM 733 O TYR A 46 -0.803 3.566 1.030 1.00 0.00 O ATOM 734 CB TYR A 46 -3.727 2.405 -0.162 1.00 0.00 C ATOM 735 CG TYR A 46 -4.489 2.649 -1.446 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.305 3.764 -1.595 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.391 1.762 -2.511 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.003 3.986 -2.767 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.085 1.978 -3.686 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.888 3.090 -3.808 1.00 0.00 C ATOM 741 OH TYR A 46 -6.582 3.307 -4.978 1.00 0.00 O ATOM 0 H TYR A 46 -2.006 4.265 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.892 4.166 1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.921 1.698 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.394 1.935 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.395 4.469 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.762 0.889 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.635 4.856 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.998 1.279 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.276 3.982 -4.826 1.00 0.00 H new ATOM 751 N ARG A 47 -2.265 2.677 2.494 1.00 0.00 N ATOM 752 CA ARG A 47 -1.239 2.259 3.443 1.00 0.00 C ATOM 753 C ARG A 47 -1.313 0.759 3.693 1.00 0.00 C ATOM 754 O ARG A 47 -2.368 0.145 3.539 1.00 0.00 O ATOM 755 CB ARG A 47 -1.394 3.016 4.764 1.00 0.00 C ATOM 756 CG ARG A 47 -0.099 3.134 5.553 1.00 0.00 C ATOM 757 CD ARG A 47 -0.350 3.652 6.960 1.00 0.00 C ATOM 758 NE ARG A 47 0.868 4.169 7.579 1.00 0.00 N ATOM 759 CZ ARG A 47 0.877 4.975 8.637 1.00 0.00 C ATOM 760 NH1 ARG A 47 -0.263 5.359 9.199 1.00 0.00 N ATOM 761 NH2 ARG A 47 2.028 5.400 9.138 1.00 0.00 N ATOM 0 H ARG A 47 -3.218 2.451 2.778 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.265 2.492 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.776 4.016 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.139 2.510 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.387 2.160 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.585 3.805 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.102 4.440 6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.756 2.849 7.575 1.00 0.00 H new ATOM 0 HE ARG A 47 1.764 3.896 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.153 5.036 8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.249 5.977 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.908 5.109 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.034 6.018 9.949 1.00 0.00 H new ATOM 775 N GLY A 48 -0.184 0.174 4.081 1.00 0.00 N ATOM 776 CA GLY A 48 -0.143 -1.253 4.347 1.00 0.00 C ATOM 777 C GLY A 48 1.252 -1.734 4.690 1.00 0.00 C ATOM 778 O GLY A 48 2.132 -0.932 5.005 1.00 0.00 O ATOM 0 H GLY A 48 0.702 0.661 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.818 -1.486 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.507 -1.794 3.473 1.00 0.00 H new ATOM 782 N TYR A 49 1.456 -3.046 4.631 1.00 0.00 N ATOM 783 CA TYR A 49 2.757 -3.629 4.940 1.00 0.00 C ATOM 784 C TYR A 49 2.947 -4.958 4.216 1.00 0.00 C ATOM 785 O TYR A 49 2.054 -5.804 4.205 1.00 0.00 O ATOM 786 CB TYR A 49 2.902 -3.832 6.449 1.00 0.00 C ATOM 787 CG TYR A 49 1.779 -4.636 7.065 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.750 -6.020 6.958 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.747 -4.007 7.752 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.724 -6.757 7.520 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.281 -4.738 8.317 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.288 -6.111 8.198 1.00 0.00 C ATOM 793 OH TYR A 49 -1.310 -6.843 8.759 1.00 0.00 O ATOM 0 H TYR A 49 0.739 -3.724 4.373 1.00 0.00 H new ATOM 0 HA TYR A 49 3.526 -2.938 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.849 -4.334 6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.948 -2.857 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.541 -6.529 6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.749 -2.931 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.715 -7.833 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.075 -4.236 8.849 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.941 -6.238 9.201 1.00 0.00 H new ATOM 803 N THR A 50 4.119 -5.132 3.612 1.00 0.00 N ATOM 804 CA THR A 50 4.427 -6.360 2.886 1.00 0.00 C ATOM 805 C THR A 50 4.489 -7.551 3.836 1.00 0.00 C ATOM 806 O THR A 50 4.947 -7.429 4.972 1.00 0.00 O ATOM 807 CB THR A 50 5.756 -6.222 2.139 1.00 0.00 C ATOM 808 OG1 THR A 50 6.778 -5.766 3.009 1.00 0.00 O ATOM 809 CG2 THR A 50 5.689 -5.267 0.965 1.00 0.00 C ATOM 0 H THR A 50 4.869 -4.441 3.611 1.00 0.00 H new ATOM 0 HA THR A 50 3.630 -6.532 2.163 1.00 0.00 H new ATOM 0 HB THR A 50 5.978 -7.220 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.619 -5.686 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.664 -5.217 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.947 -5.621 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.408 -4.275 1.319 1.00 0.00 H new ATOM 817 N LEU A 51 4.026 -8.703 3.362 1.00 0.00 N ATOM 818 CA LEU A 51 4.030 -9.918 4.169 1.00 0.00 C ATOM 819 C LEU A 51 5.446 -10.269 4.618 1.00 0.00 C ATOM 820 O LEU A 51 5.642 -10.866 5.675 1.00 0.00 O ATOM 821 CB LEU A 51 3.427 -11.081 3.379 1.00 0.00 C ATOM 822 CG LEU A 51 1.898 -11.099 3.320 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.419 -11.489 1.931 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.335 -12.049 4.366 1.00 0.00 C ATOM 0 H LEU A 51 3.643 -8.821 2.424 1.00 0.00 H new ATOM 0 HA LEU A 51 3.423 -9.738 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.814 -11.048 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.770 -12.017 3.821 1.00 0.00 H new ATOM 0 HG LEU A 51 1.535 -10.094 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.329 -11.496 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.791 -10.769 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.793 -12.482 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.246 -12.049 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.708 -13.056 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.647 -11.723 5.358 1.00 0.00 H new ATOM 836 N ARG A 52 6.429 -9.891 3.807 1.00 0.00 N ATOM 837 CA ARG A 52 7.827 -10.162 4.121 1.00 0.00 C ATOM 838 C ARG A 52 8.336 -9.201 5.191 1.00 0.00 C ATOM 839 O ARG A 52 9.174 -9.563 6.018 1.00 0.00 O ATOM 840 CB ARG A 52 8.688 -10.048 2.862 1.00 0.00 C ATOM 841 CG ARG A 52 8.910 -11.374 2.153 1.00 0.00 C ATOM 842 CD ARG A 52 10.132 -11.329 1.249 1.00 0.00 C ATOM 843 NE ARG A 52 11.197 -12.210 1.721 1.00 0.00 N ATOM 844 CZ ARG A 52 11.217 -13.525 1.515 1.00 0.00 C ATOM 845 NH1 ARG A 52 10.233 -14.115 0.847 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.223 -14.253 1.980 1.00 0.00 N ATOM 0 H ARG A 52 6.283 -9.396 2.927 1.00 0.00 H new ATOM 0 HA ARG A 52 7.898 -11.179 4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.215 -9.351 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.655 -9.623 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.033 -12.166 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.029 -11.623 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.845 -11.617 0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.505 -10.306 1.195 1.00 0.00 H new ATOM 0 HE ARG A 52 11.971 -11.793 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.456 -13.560 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.254 -15.123 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.981 -13.805 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.239 -15.261 1.822 1.00 0.00 H new ATOM 860 N LYS A 53 7.824 -7.977 5.168 1.00 0.00 N ATOM 861 CA LYS A 53 8.224 -6.959 6.134 1.00 0.00 C ATOM 862 C LYS A 53 7.005 -6.364 6.832 1.00 0.00 C ATOM 863 O LYS A 53 6.676 -5.193 6.640 1.00 0.00 O ATOM 864 CB LYS A 53 9.024 -5.854 5.442 1.00 0.00 C ATOM 865 CG LYS A 53 10.505 -6.169 5.307 1.00 0.00 C ATOM 866 CD LYS A 53 11.229 -5.102 4.500 1.00 0.00 C ATOM 867 CE LYS A 53 11.134 -3.739 5.167 1.00 0.00 C ATOM 868 NZ LYS A 53 12.146 -2.786 4.633 1.00 0.00 N ATOM 0 H LYS A 53 7.129 -7.664 4.490 1.00 0.00 H new ATOM 0 HA LYS A 53 8.854 -7.434 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.606 -5.681 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.908 -4.927 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.954 -6.245 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.630 -7.139 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.277 -5.380 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.801 -5.049 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.135 -3.330 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.273 -3.851 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.047 -1.869 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.101 -3.164 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.998 -2.659 3.611 1.00 0.00 H new ATOM 882 N LYS A 54 6.337 -7.179 7.641 1.00 0.00 N ATOM 883 CA LYS A 54 5.153 -6.734 8.368 1.00 0.00 C ATOM 884 C LYS A 54 5.512 -5.666 9.396 1.00 0.00 C ATOM 885 O LYS A 54 4.688 -4.817 9.736 1.00 0.00 O ATOM 886 CB LYS A 54 4.479 -7.920 9.061 1.00 0.00 C ATOM 887 CG LYS A 54 4.064 -9.026 8.105 1.00 0.00 C ATOM 888 CD LYS A 54 2.978 -9.905 8.705 1.00 0.00 C ATOM 889 CE LYS A 54 2.862 -11.228 7.968 1.00 0.00 C ATOM 890 NZ LYS A 54 1.527 -11.859 8.165 1.00 0.00 N ATOM 0 H LYS A 54 6.595 -8.151 7.810 1.00 0.00 H new ATOM 0 HA LYS A 54 4.459 -6.299 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.161 -8.331 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.599 -7.565 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.705 -8.587 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.931 -9.637 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.198 -10.091 9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.023 -9.381 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.034 -11.067 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.640 -11.907 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.489 -12.759 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.373 -12.036 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.786 -11.222 7.809 1.00 0.00 H new ATOM 904 N SER A 55 6.745 -5.715 9.891 1.00 0.00 N ATOM 905 CA SER A 55 7.212 -4.753 10.881 1.00 0.00 C ATOM 906 C SER A 55 7.093 -3.325 10.356 1.00 0.00 C ATOM 907 O SER A 55 6.311 -2.526 10.873 1.00 0.00 O ATOM 908 CB SER A 55 8.664 -5.050 11.266 1.00 0.00 C ATOM 909 OG SER A 55 8.761 -5.449 12.623 1.00 0.00 O ATOM 0 H SER A 55 7.439 -6.412 9.622 1.00 0.00 H new ATOM 0 HA SER A 55 6.582 -4.847 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.060 -5.836 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.276 -4.164 11.100 1.00 0.00 H new ATOM 0 HG SER A 55 9.698 -5.634 12.843 1.00 0.00 H new ATOM 915 N LYS A 56 7.872 -3.011 9.326 1.00 0.00 N ATOM 916 CA LYS A 56 7.855 -1.680 8.730 1.00 0.00 C ATOM 917 C LYS A 56 6.660 -1.516 7.796 1.00 0.00 C ATOM 918 O LYS A 56 6.408 -2.362 6.939 1.00 0.00 O ATOM 919 CB LYS A 56 9.156 -1.424 7.966 1.00 0.00 C ATOM 920 CG LYS A 56 9.745 -0.045 8.208 1.00 0.00 C ATOM 921 CD LYS A 56 11.264 -0.076 8.191 1.00 0.00 C ATOM 922 CE LYS A 56 11.840 1.162 7.525 1.00 0.00 C ATOM 923 NZ LYS A 56 11.514 1.214 6.073 1.00 0.00 N ATOM 0 H LYS A 56 8.524 -3.661 8.886 1.00 0.00 H new ATOM 0 HA LYS A 56 7.765 -0.950 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.889 -2.178 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.971 -1.548 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.386 0.644 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.399 0.336 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.639 -0.149 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.605 -0.966 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.450 2.053 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.922 1.174 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.237 1.772 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.495 0.249 5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.583 1.658 5.942 1.00 0.00 H new ATOM 937 N LYS A 57 5.928 -0.418 7.968 1.00 0.00 N ATOM 938 CA LYS A 57 4.761 -0.143 7.139 1.00 0.00 C ATOM 939 C LYS A 57 4.858 1.242 6.506 1.00 0.00 C ATOM 940 O LYS A 57 5.742 2.030 6.843 1.00 0.00 O ATOM 941 CB LYS A 57 3.482 -0.248 7.971 1.00 0.00 C ATOM 942 CG LYS A 57 3.489 0.626 9.214 1.00 0.00 C ATOM 943 CD LYS A 57 2.540 0.090 10.275 1.00 0.00 C ATOM 944 CE LYS A 57 1.110 0.543 10.026 1.00 0.00 C ATOM 945 NZ LYS A 57 0.926 1.989 10.328 1.00 0.00 N ATOM 0 H LYS A 57 6.123 0.293 8.673 1.00 0.00 H new ATOM 0 HA LYS A 57 4.729 -0.886 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.631 0.027 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.337 -1.287 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.500 0.676 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.202 1.643 8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.581 -0.999 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.864 0.429 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.845 0.353 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.430 -0.046 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.301 2.095 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.849 2.420 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.500 2.464 9.507 1.00 0.00 H new ATOM 959 N GLY A 58 3.942 1.531 5.586 1.00 0.00 N ATOM 960 CA GLY A 58 3.941 2.820 4.918 1.00 0.00 C ATOM 961 C GLY A 58 2.820 2.944 3.905 1.00 0.00 C ATOM 962 O GLY A 58 1.869 2.163 3.925 1.00 0.00 O ATOM 0 H GLY A 58 3.201 0.895 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.845 3.611 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.898 2.968 4.417 1.00 0.00 H new ATOM 966 N ILE A 59 2.930 3.927 3.016 1.00 0.00 N ATOM 967 CA ILE A 59 1.914 4.146 1.993 1.00 0.00 C ATOM 968 C ILE A 59 2.493 3.989 0.591 1.00 0.00 C ATOM 969 O ILE A 59 3.691 4.165 0.378 1.00 0.00 O ATOM 970 CB ILE A 59 1.279 5.545 2.121 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.364 6.607 2.309 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.294 5.576 3.281 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.818 8.008 2.481 1.00 0.00 C ATOM 0 H ILE A 59 3.711 4.583 2.984 1.00 0.00 H new ATOM 0 HA ILE A 59 1.145 3.389 2.149 1.00 0.00 H new ATOM 0 HB ILE A 59 0.736 5.766 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.964 6.350 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.031 6.589 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.146 6.570 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.494 4.843 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.816 5.337 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.644 8.707 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.242 8.285 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.174 8.042 3.360 1.00 0.00 H new ATOM 985 N PHE A 60 1.629 3.657 -0.363 1.00 0.00 N ATOM 986 CA PHE A 60 2.045 3.476 -1.749 1.00 0.00 C ATOM 987 C PHE A 60 0.915 3.849 -2.705 1.00 0.00 C ATOM 988 O PHE A 60 -0.261 3.727 -2.367 1.00 0.00 O ATOM 989 CB PHE A 60 2.476 2.028 -1.990 1.00 0.00 C ATOM 990 CG PHE A 60 1.435 1.015 -1.600 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.230 0.941 -2.281 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.664 0.139 -0.552 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.727 0.012 -1.924 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.708 -0.795 -0.191 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.487 -0.857 -0.880 1.00 0.00 C ATOM 0 H PHE A 60 0.633 3.507 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 60 2.893 4.135 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.717 1.901 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.390 1.832 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.037 1.618 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.598 0.185 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.663 -0.034 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.896 -1.474 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.234 -1.586 -0.602 1.00 0.00 H new ATOM 1005 N PRO A 61 1.259 4.310 -3.920 1.00 0.00 N ATOM 1006 CA PRO A 61 0.267 4.700 -4.924 1.00 0.00 C ATOM 1007 C PRO A 61 -0.365 3.494 -5.617 1.00 0.00 C ATOM 1008 O PRO A 61 0.312 2.512 -5.919 1.00 0.00 O ATOM 1009 CB PRO A 61 1.085 5.521 -5.917 1.00 0.00 C ATOM 1010 CG PRO A 61 2.458 4.949 -5.835 1.00 0.00 C ATOM 1011 CD PRO A 61 2.641 4.490 -4.411 1.00 0.00 C ATOM 0 HA PRO A 61 -0.571 5.242 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.681 5.440 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.080 6.579 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.575 4.117 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.207 5.695 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.208 3.561 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.183 5.227 -3.819 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.667 3.581 -5.862 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.408 2.505 -6.518 1.00 0.00 C ATOM 1021 C ALA A 62 -2.018 2.356 -7.989 1.00 0.00 C ATOM 1022 O ALA A 62 -2.423 1.400 -8.650 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.904 2.751 -6.396 1.00 0.00 C ATOM 0 H ALA A 62 -2.237 4.390 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.150 1.574 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.447 1.944 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.182 2.786 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.157 3.700 -6.870 1.00 0.00 H new ATOM 1029 N SER A 63 -1.248 3.312 -8.502 1.00 0.00 N ATOM 1030 CA SER A 63 -0.826 3.294 -9.901 1.00 0.00 C ATOM 1031 C SER A 63 -0.246 1.939 -10.314 1.00 0.00 C ATOM 1032 O SER A 63 -0.262 1.591 -11.494 1.00 0.00 O ATOM 1033 CB SER A 63 0.207 4.394 -10.151 1.00 0.00 C ATOM 1034 OG SER A 63 0.246 4.755 -11.521 1.00 0.00 O ATOM 0 H SER A 63 -0.903 4.110 -7.969 1.00 0.00 H new ATOM 0 HA SER A 63 -1.713 3.472 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.036 5.269 -9.548 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.192 4.051 -9.834 1.00 0.00 H new ATOM 0 HG SER A 63 0.913 5.461 -11.654 1.00 0.00 H new ATOM 1040 N TYR A 64 0.269 1.178 -9.351 1.00 0.00 N ATOM 1041 CA TYR A 64 0.849 -0.128 -9.658 1.00 0.00 C ATOM 1042 C TYR A 64 0.430 -1.191 -8.644 1.00 0.00 C ATOM 1043 O TYR A 64 1.130 -2.186 -8.457 1.00 0.00 O ATOM 1044 CB TYR A 64 2.376 -0.034 -9.713 1.00 0.00 C ATOM 1045 CG TYR A 64 3.006 0.497 -8.444 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.157 -0.315 -7.326 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.456 1.808 -8.366 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.737 0.166 -6.168 1.00 0.00 C ATOM 1049 CE2 TYR A 64 4.038 2.296 -7.212 1.00 0.00 C ATOM 1050 CZ TYR A 64 4.176 1.472 -6.117 1.00 0.00 C ATOM 1051 OH TYR A 64 4.755 1.955 -4.966 1.00 0.00 O ATOM 0 H TYR A 64 0.297 1.438 -8.365 1.00 0.00 H new ATOM 0 HA TYR A 64 0.469 -0.430 -10.634 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.783 -1.023 -9.922 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.660 0.610 -10.545 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.815 -1.339 -7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.349 2.458 -9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.846 -0.477 -5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.383 3.318 -7.169 1.00 0.00 H new ATOM 0 HH TYR A 64 5.220 2.795 -5.162 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.714 -0.988 -8.002 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.211 -1.947 -7.020 1.00 0.00 C ATOM 1063 C ILE A 65 -2.273 -2.857 -7.629 1.00 0.00 C ATOM 1064 O ILE A 65 -3.180 -2.395 -8.322 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.800 -1.242 -5.782 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.775 -0.282 -5.178 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.241 -2.267 -4.747 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.499 -0.962 -4.731 1.00 0.00 C ATOM 0 H ILE A 65 -1.313 -0.174 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.356 -2.547 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.672 -0.667 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.530 0.484 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.224 0.227 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.654 -1.753 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.001 -2.917 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.384 -2.866 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.180 -0.221 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.266 -1.709 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.971 -1.447 -5.585 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.153 -4.155 -7.362 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.101 -5.134 -7.877 1.00 0.00 C ATOM 1082 C HIS A 66 -3.508 -6.117 -6.786 1.00 0.00 C ATOM 1083 O HIS A 66 -2.695 -6.918 -6.324 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.494 -5.888 -9.062 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.495 -6.680 -9.844 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -3.949 -6.300 -11.089 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.128 -7.842 -9.554 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -4.820 -7.190 -11.530 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -4.945 -8.136 -10.618 1.00 0.00 N ATOM 0 H HIS A 66 -1.407 -4.552 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.991 -4.603 -8.214 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.009 -5.173 -9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.718 -6.560 -8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.012 -8.428 -8.654 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.341 -7.150 -12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.551 -8.953 -10.692 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.772 -6.051 -6.376 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.283 -6.936 -5.336 1.00 0.00 C ATOM 1100 C LEU A 67 -5.290 -8.387 -5.804 1.00 0.00 C ATOM 1101 O LEU A 67 -5.501 -8.668 -6.984 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.698 -6.517 -4.930 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.769 -5.363 -3.928 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.064 -4.133 -4.476 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -8.216 -5.045 -3.588 1.00 0.00 C ATOM 0 H LEU A 67 -5.459 -5.395 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.622 -6.855 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.248 -6.233 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.208 -7.381 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.259 -5.668 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.126 -3.324 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.017 -4.369 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.543 -3.823 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.250 -4.222 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.749 -4.760 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.689 -5.924 -3.150 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.057 -9.304 -4.870 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.038 -10.729 -5.184 1.00 0.00 C ATOM 1119 C LYS A 68 -6.099 -11.475 -4.384 1.00 0.00 C ATOM 1120 O LYS A 68 -6.855 -10.871 -3.622 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.655 -11.316 -4.893 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.640 -11.059 -5.995 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.586 -12.154 -6.051 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.331 -12.610 -7.479 1.00 0.00 C ATOM 1125 NZ LYS A 68 -0.346 -11.735 -8.173 1.00 0.00 N ATOM 0 H LYS A 68 -4.879 -9.086 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.260 -10.847 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.280 -10.895 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.750 -12.391 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.152 -10.997 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.157 -10.096 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.657 -11.789 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.910 -13.003 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.964 -13.636 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.270 -12.611 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.386 -11.912 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.574 -10.738 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.611 -11.943 -7.823 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.150 -12.791 -4.560 1.00 0.00 N ATOM 1140 CA GLU A 69 -7.119 -13.621 -3.854 1.00 0.00 C ATOM 1141 C GLU A 69 -6.416 -14.603 -2.922 1.00 0.00 C ATOM 1142 O GLU A 69 -5.777 -15.553 -3.374 1.00 0.00 O ATOM 1143 CB GLU A 69 -7.994 -14.382 -4.853 1.00 0.00 C ATOM 1144 CG GLU A 69 -9.404 -13.825 -4.972 1.00 0.00 C ATOM 1145 CD GLU A 69 -9.610 -13.027 -6.244 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -9.691 -13.646 -7.326 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -9.692 -11.784 -6.160 1.00 0.00 O ATOM 0 H GLU A 69 -5.531 -13.306 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.752 -12.968 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.518 -14.357 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.049 -15.428 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.119 -14.647 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.614 -13.190 -4.111 1.00 0.00 H new ATOM 1154 N ALA A 70 -6.539 -14.369 -1.620 1.00 0.00 N ATOM 1155 CA ALA A 70 -5.915 -15.235 -0.627 1.00 0.00 C ATOM 1156 C ALA A 70 -6.454 -16.658 -0.728 1.00 0.00 C ATOM 1157 O ALA A 70 -7.565 -16.945 -0.282 1.00 0.00 O ATOM 1158 CB ALA A 70 -6.140 -14.681 0.772 1.00 0.00 C ATOM 0 H ALA A 70 -7.065 -13.588 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.844 -15.264 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.669 -15.338 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.703 -13.685 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.210 -14.623 0.973 1.00 0.00 H new ATOM 1164 N ILE A 71 -5.659 -17.545 -1.316 1.00 0.00 N ATOM 1165 CA ILE A 71 -6.058 -18.938 -1.475 1.00 0.00 C ATOM 1166 C ILE A 71 -5.920 -19.702 -0.165 1.00 0.00 C ATOM 1167 O ILE A 71 -5.051 -19.401 0.654 1.00 0.00 O ATOM 1168 CB ILE A 71 -5.218 -19.646 -2.557 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -5.128 -18.779 -3.815 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -5.814 -21.006 -2.885 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -3.855 -17.966 -3.898 1.00 0.00 C ATOM 0 H ILE A 71 -4.736 -17.324 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.104 -18.932 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.210 -19.797 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.198 -19.420 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.983 -18.104 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.210 -21.493 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.828 -21.623 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.832 -20.878 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.859 -17.376 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.792 -17.300 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.995 -18.636 -3.902 1.00 0.00 H new ATOM 1183 N VAL A 72 -6.785 -20.694 0.029 1.00 0.00 N ATOM 1184 CA VAL A 72 -6.758 -21.503 1.243 1.00 0.00 C ATOM 1185 C VAL A 72 -6.164 -22.880 0.972 1.00 0.00 C ATOM 1186 O VAL A 72 -6.703 -23.656 0.181 1.00 0.00 O ATOM 1187 CB VAL A 72 -8.169 -21.672 1.838 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -8.602 -20.401 2.554 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -9.168 -22.047 0.754 1.00 0.00 C ATOM 0 H VAL A 72 -7.511 -20.956 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.131 -20.975 1.961 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.139 -22.482 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.601 -20.539 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.902 -20.181 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.613 -19.571 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.158 -22.162 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.196 -21.262 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.867 -22.986 0.291 1.00 0.00 H new ATOM 1199 N GLU A 73 -5.053 -23.178 1.634 1.00 0.00 N ATOM 1200 CA GLU A 73 -4.386 -24.465 1.467 1.00 0.00 C ATOM 1201 C GLU A 73 -5.185 -25.582 2.130 1.00 0.00 C ATOM 1202 O GLU A 73 -5.548 -25.487 3.303 1.00 0.00 O ATOM 1203 CB GLU A 73 -2.972 -24.410 2.053 1.00 0.00 C ATOM 1204 CG GLU A 73 -1.878 -24.657 1.026 1.00 0.00 C ATOM 1205 CD GLU A 73 -0.542 -24.981 1.665 1.00 0.00 C ATOM 1206 OE1 GLU A 73 0.158 -24.036 2.087 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -0.196 -26.178 1.745 1.00 0.00 O ATOM 0 H GLU A 73 -4.594 -22.547 2.291 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.320 -24.677 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.815 -23.433 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.888 -25.152 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.175 -25.480 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.771 -23.774 0.395 1.00 0.00 H new ATOM 1214 N GLY A 74 -5.457 -26.639 1.372 1.00 0.00 N ATOM 1215 CA GLY A 74 -6.213 -27.758 1.903 1.00 0.00 C ATOM 1216 C GLY A 74 -5.596 -29.097 1.546 1.00 0.00 C ATOM 1217 O GLY A 74 -5.725 -29.516 0.377 1.00 0.00 O ATOM 1218 OXT GLY A 74 -4.986 -29.725 2.436 1.00 0.00 O ATOM 0 H GLY A 74 -5.167 -26.741 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.276 -27.668 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.233 -27.718 1.520 1.00 0.00 H new TER 1222 GLY A 74