USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 600 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 40 CYS SG : rot -68:sc= 1.73 USER MOD Set 1.2: A 41 THR OG1 : rot 67:sc= 0.374 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.111 (180deg=-0.581) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0568 (180deg=-0.0416) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 7 SER OG : rot 180:sc= 0.324 USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= -0.476 (180deg=-1.66!) USER MOD Single : A 11 SER OG : rot 75:sc= 0.025 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -0.618 (180deg=-2.31!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 74:sc= 0.0876 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc=-0.00849 (180deg=-0.108) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00816 (180deg=-0.126) USER MOD Single : A 26 GLN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc=-0.00453 (180deg=-0.0706) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= 0.914 (180deg=-0.204) USER MOD Single : A 52 GLN : amide:sc= -2.92! C(o=-2.9!,f=-6.5!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.846 K(o=-0.85,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.79 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.098 16.905 -11.785 1.00 0.00 N ATOM 2 CA MET A 1 -13.044 17.178 -12.789 1.00 0.00 C ATOM 3 C MET A 1 -13.486 18.284 -13.732 1.00 0.00 C ATOM 4 O MET A 1 -14.681 18.511 -13.919 1.00 0.00 O ATOM 5 CB MET A 1 -12.725 15.916 -13.594 1.00 0.00 C ATOM 6 CG MET A 1 -12.102 14.803 -12.769 1.00 0.00 C ATOM 7 SD MET A 1 -11.644 13.366 -13.762 1.00 0.00 S ATOM 8 CE MET A 1 -13.236 12.896 -14.437 1.00 0.00 C ATOM 0 H1 MET A 1 -13.710 17.040 -10.829 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.894 17.558 -11.931 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.431 15.925 -11.889 1.00 0.00 H new ATOM 0 HA MET A 1 -12.146 17.496 -12.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.643 15.546 -14.051 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.047 16.176 -14.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.216 15.185 -12.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.804 14.495 -11.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.194 11.863 -14.784 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.000 12.989 -13.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.484 13.550 -15.273 1.00 0.00 H new ATOM 20 N VAL A 2 -12.520 18.969 -14.324 1.00 0.00 N ATOM 21 CA VAL A 2 -12.812 20.055 -15.242 1.00 0.00 C ATOM 22 C VAL A 2 -12.179 19.794 -16.610 1.00 0.00 C ATOM 23 O VAL A 2 -10.960 19.645 -16.727 1.00 0.00 O ATOM 24 CB VAL A 2 -12.343 21.423 -14.678 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.865 21.394 -14.306 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.630 22.546 -15.666 1.00 0.00 C ATOM 0 H VAL A 2 -11.526 18.790 -14.184 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.894 20.099 -15.362 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.911 21.616 -13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.569 22.367 -13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.696 20.631 -13.546 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.272 21.163 -15.191 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.292 23.494 -15.247 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.102 22.353 -16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.702 22.596 -15.859 1.00 0.00 H new ATOM 36 N LEU A 3 -13.036 19.687 -17.626 1.00 0.00 N ATOM 37 CA LEU A 3 -12.610 19.494 -19.015 1.00 0.00 C ATOM 38 C LEU A 3 -11.838 18.179 -19.179 1.00 0.00 C ATOM 39 O LEU A 3 -11.050 18.012 -20.110 1.00 0.00 O ATOM 40 CB LEU A 3 -11.760 20.681 -19.490 1.00 0.00 C ATOM 41 CG LEU A 3 -11.520 20.755 -21.000 1.00 0.00 C ATOM 42 CD1 LEU A 3 -12.830 20.986 -21.738 1.00 0.00 C ATOM 43 CD2 LEU A 3 -10.521 21.852 -21.328 1.00 0.00 C ATOM 0 H LEU A 3 -14.048 19.732 -17.510 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.505 19.439 -19.635 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.245 21.604 -19.171 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.794 20.638 -18.987 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.104 19.803 -21.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.640 21.036 -22.810 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.515 20.164 -21.529 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.275 21.923 -21.405 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.363 21.890 -22.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.908 22.811 -20.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.574 21.643 -20.830 1.00 0.00 H new ATOM 55 N ARG A 4 -12.087 17.240 -18.283 1.00 0.00 N ATOM 56 CA ARG A 4 -11.392 15.964 -18.306 1.00 0.00 C ATOM 57 C ARG A 4 -12.261 14.908 -18.984 1.00 0.00 C ATOM 58 O ARG A 4 -12.740 13.971 -18.347 1.00 0.00 O ATOM 59 CB ARG A 4 -11.023 15.540 -16.880 1.00 0.00 C ATOM 60 CG ARG A 4 -10.115 14.318 -16.805 1.00 0.00 C ATOM 61 CD ARG A 4 -8.839 14.514 -17.610 1.00 0.00 C ATOM 62 NE ARG A 4 -8.141 15.749 -17.256 1.00 0.00 N ATOM 63 CZ ARG A 4 -7.135 16.259 -17.964 1.00 0.00 C ATOM 64 NH1 ARG A 4 -6.696 15.632 -19.049 1.00 0.00 N ATOM 65 NH2 ARG A 4 -6.566 17.395 -17.584 1.00 0.00 N ATOM 0 H ARG A 4 -12.767 17.337 -17.529 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.471 16.067 -18.879 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.531 16.375 -16.381 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.939 15.332 -16.327 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.861 14.117 -15.764 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.650 13.444 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.175 13.665 -17.446 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.082 14.529 -18.673 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.442 16.248 -16.419 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.130 14.757 -19.343 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.925 16.026 -19.589 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.899 17.878 -16.750 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.795 17.786 -18.126 1.00 0.00 H new ATOM 79 N GLN A 5 -12.472 15.078 -20.282 1.00 0.00 N ATOM 80 CA GLN A 5 -13.320 14.170 -21.042 1.00 0.00 C ATOM 81 C GLN A 5 -12.494 13.299 -21.983 1.00 0.00 C ATOM 82 O GLN A 5 -13.003 12.336 -22.559 1.00 0.00 O ATOM 83 CB GLN A 5 -14.358 14.955 -21.845 1.00 0.00 C ATOM 84 CG GLN A 5 -15.320 15.762 -20.987 1.00 0.00 C ATOM 85 CD GLN A 5 -16.417 16.414 -21.805 1.00 0.00 C ATOM 86 OE1 GLN A 5 -16.827 15.896 -22.845 1.00 0.00 O ATOM 87 NE2 GLN A 5 -16.907 17.551 -21.338 1.00 0.00 N ATOM 0 H GLN A 5 -12.067 15.837 -20.831 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.831 13.521 -20.330 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.841 15.630 -22.527 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.930 14.259 -22.459 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.768 15.110 -20.237 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.765 16.531 -20.450 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.540 17.947 -20.473 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.652 18.031 -21.843 1.00 0.00 H new ATOM 96 N LEU A 6 -11.217 13.624 -22.127 1.00 0.00 N ATOM 97 CA LEU A 6 -10.353 12.904 -23.056 1.00 0.00 C ATOM 98 C LEU A 6 -9.813 11.620 -22.432 1.00 0.00 C ATOM 99 O LEU A 6 -8.602 11.429 -22.309 1.00 0.00 O ATOM 100 CB LEU A 6 -9.196 13.791 -23.537 1.00 0.00 C ATOM 101 CG LEU A 6 -9.534 14.787 -24.657 1.00 0.00 C ATOM 102 CD1 LEU A 6 -10.048 14.057 -25.890 1.00 0.00 C ATOM 103 CD2 LEU A 6 -10.547 15.823 -24.190 1.00 0.00 C ATOM 0 H LEU A 6 -10.757 14.377 -21.616 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.960 12.633 -23.919 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.814 14.350 -22.683 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.389 13.146 -23.883 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.616 15.311 -24.922 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.281 14.781 -26.671 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.284 13.369 -26.250 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.948 13.498 -25.633 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.765 16.513 -25.006 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.465 15.322 -23.884 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.137 16.378 -23.346 1.00 0.00 H new ATOM 115 N SER A 7 -10.721 10.748 -22.034 1.00 0.00 N ATOM 116 CA SER A 7 -10.353 9.440 -21.528 1.00 0.00 C ATOM 117 C SER A 7 -10.779 8.358 -22.519 1.00 0.00 C ATOM 118 O SER A 7 -10.006 7.966 -23.396 1.00 0.00 O ATOM 119 CB SER A 7 -10.990 9.215 -20.156 1.00 0.00 C ATOM 120 OG SER A 7 -12.365 9.569 -20.173 1.00 0.00 O ATOM 0 H SER A 7 -11.725 10.925 -22.052 1.00 0.00 H new ATOM 0 HA SER A 7 -9.270 9.387 -21.413 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.883 8.169 -19.868 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.467 9.808 -19.406 1.00 0.00 H new ATOM 0 HG SER A 7 -12.753 9.416 -19.286 1.00 0.00 H new ATOM 126 N ARG A 8 -12.025 7.915 -22.413 1.00 0.00 N ATOM 127 CA ARG A 8 -12.556 6.907 -23.322 1.00 0.00 C ATOM 128 C ARG A 8 -12.883 7.529 -24.676 1.00 0.00 C ATOM 129 O ARG A 8 -13.014 6.832 -25.679 1.00 0.00 O ATOM 130 CB ARG A 8 -13.795 6.234 -22.725 1.00 0.00 C ATOM 131 CG ARG A 8 -14.909 7.198 -22.354 1.00 0.00 C ATOM 132 CD ARG A 8 -16.139 6.457 -21.852 1.00 0.00 C ATOM 133 NE ARG A 8 -16.682 5.554 -22.865 1.00 0.00 N ATOM 134 CZ ARG A 8 -17.834 4.896 -22.738 1.00 0.00 C ATOM 135 NH1 ARG A 8 -18.574 5.046 -21.646 1.00 0.00 N ATOM 136 NH2 ARG A 8 -18.245 4.088 -23.708 1.00 0.00 N ATOM 0 H ARG A 8 -12.687 8.237 -21.707 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.793 6.143 -23.468 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.181 5.508 -23.441 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.500 5.678 -21.835 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.557 7.885 -21.584 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.175 7.801 -23.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.881 5.888 -20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.903 7.178 -21.561 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.146 5.419 -23.722 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.262 5.667 -20.900 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.455 4.540 -21.553 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.679 3.972 -24.549 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.126 3.584 -23.612 1.00 0.00 H new ATOM 150 N LYS A 9 -13.010 8.851 -24.690 1.00 0.00 N ATOM 151 CA LYS A 9 -13.219 9.586 -25.931 1.00 0.00 C ATOM 152 C LYS A 9 -11.890 9.777 -26.657 1.00 0.00 C ATOM 153 O LYS A 9 -11.860 10.080 -27.849 1.00 0.00 O ATOM 154 CB LYS A 9 -13.875 10.943 -25.655 1.00 0.00 C ATOM 155 CG LYS A 9 -15.214 10.832 -24.943 1.00 0.00 C ATOM 156 CD LYS A 9 -15.862 12.192 -24.704 1.00 0.00 C ATOM 157 CE LYS A 9 -16.716 12.651 -25.884 1.00 0.00 C ATOM 158 NZ LYS A 9 -15.907 13.013 -27.080 1.00 0.00 N ATOM 0 H LYS A 9 -12.972 9.436 -23.855 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.889 9.007 -26.567 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.200 11.549 -25.051 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.016 11.469 -26.599 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.887 10.212 -25.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.073 10.327 -23.987 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.482 12.143 -23.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.085 12.932 -24.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.414 11.858 -26.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.312 13.512 -25.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.424 13.713 -27.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.999 13.418 -26.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.732 12.162 -27.652 1.00 0.00 H new ATOM 172 N ALA A 10 -10.794 9.596 -25.925 1.00 0.00 N ATOM 173 CA ALA A 10 -9.461 9.665 -26.512 1.00 0.00 C ATOM 174 C ALA A 10 -9.045 8.290 -27.011 1.00 0.00 C ATOM 175 O ALA A 10 -8.303 8.160 -27.986 1.00 0.00 O ATOM 176 CB ALA A 10 -8.454 10.191 -25.500 1.00 0.00 C ATOM 0 H ALA A 10 -10.804 9.400 -24.924 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.485 10.356 -27.355 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.466 10.234 -25.959 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.749 11.190 -25.179 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.424 9.526 -24.637 1.00 0.00 H new ATOM 182 N SER A 11 -9.535 7.259 -26.339 1.00 0.00 N ATOM 183 CA SER A 11 -9.315 5.888 -26.765 1.00 0.00 C ATOM 184 C SER A 11 -10.333 5.503 -27.837 1.00 0.00 C ATOM 185 O SER A 11 -11.014 4.480 -27.735 1.00 0.00 O ATOM 186 CB SER A 11 -9.412 4.943 -25.565 1.00 0.00 C ATOM 187 OG SER A 11 -8.486 5.310 -24.551 1.00 0.00 O ATOM 0 H SER A 11 -10.092 7.349 -25.489 1.00 0.00 H new ATOM 0 HA SER A 11 -8.315 5.804 -27.191 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.425 4.964 -25.162 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.218 3.920 -25.887 1.00 0.00 H new ATOM 0 HG SER A 11 -8.812 6.108 -24.084 1.00 0.00 H new ATOM 193 N VAL A 12 -10.435 6.338 -28.864 1.00 0.00 N ATOM 194 CA VAL A 12 -11.386 6.115 -29.937 1.00 0.00 C ATOM 195 C VAL A 12 -10.788 5.227 -31.019 1.00 0.00 C ATOM 196 O VAL A 12 -9.668 5.449 -31.486 1.00 0.00 O ATOM 197 CB VAL A 12 -11.882 7.445 -30.548 1.00 0.00 C ATOM 198 CG1 VAL A 12 -10.716 8.307 -31.001 1.00 0.00 C ATOM 199 CG2 VAL A 12 -12.845 7.195 -31.700 1.00 0.00 C ATOM 0 H VAL A 12 -9.867 7.178 -28.973 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.246 5.605 -29.503 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.420 7.985 -29.769 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.094 9.236 -31.427 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.077 8.533 -30.147 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.139 7.771 -31.755 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.177 8.149 -32.110 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.341 6.622 -32.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.708 6.635 -31.338 1.00 0.00 H new ATOM 209 N LYS A 13 -11.535 4.204 -31.387 1.00 0.00 N ATOM 210 CA LYS A 13 -11.104 3.262 -32.402 1.00 0.00 C ATOM 211 C LYS A 13 -12.229 2.987 -33.394 1.00 0.00 C ATOM 212 O LYS A 13 -12.114 2.120 -34.261 1.00 0.00 O ATOM 213 CB LYS A 13 -10.641 1.962 -31.744 1.00 0.00 C ATOM 214 CG LYS A 13 -11.699 1.298 -30.873 1.00 0.00 C ATOM 215 CD LYS A 13 -11.156 0.057 -30.181 1.00 0.00 C ATOM 216 CE LYS A 13 -10.109 0.412 -29.136 1.00 0.00 C ATOM 217 NZ LYS A 13 -9.515 -0.798 -28.514 1.00 0.00 N ATOM 0 H LYS A 13 -12.454 4.003 -30.993 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.268 3.697 -32.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.334 1.263 -32.522 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.761 2.168 -31.135 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.053 2.007 -30.125 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.558 1.027 -31.486 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.975 -0.484 -29.707 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.719 -0.612 -30.922 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.321 1.006 -29.599 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.563 1.032 -28.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.807 -0.513 -27.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.263 -1.353 -28.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.059 -1.377 -29.248 1.00 0.00 H new ATOM 231 N VAL A 14 -13.317 3.729 -33.259 1.00 0.00 N ATOM 232 CA VAL A 14 -14.445 3.589 -34.161 1.00 0.00 C ATOM 233 C VAL A 14 -14.433 4.711 -35.197 1.00 0.00 C ATOM 234 O VAL A 14 -14.152 5.867 -34.868 1.00 0.00 O ATOM 235 CB VAL A 14 -15.789 3.583 -33.394 1.00 0.00 C ATOM 236 CG1 VAL A 14 -16.020 4.904 -32.680 1.00 0.00 C ATOM 237 CG2 VAL A 14 -16.948 3.265 -34.329 1.00 0.00 C ATOM 0 H VAL A 14 -13.441 4.434 -32.533 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.348 2.630 -34.670 1.00 0.00 H new ATOM 0 HB VAL A 14 -15.736 2.799 -32.639 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.972 4.870 -32.150 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.214 5.078 -31.967 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.040 5.713 -33.410 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.881 3.267 -33.766 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.998 4.018 -35.116 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.796 2.282 -34.776 1.00 0.00 H new ATOM 247 N SER A 15 -14.693 4.346 -36.448 1.00 0.00 N ATOM 248 CA SER A 15 -14.744 5.301 -37.549 1.00 0.00 C ATOM 249 C SER A 15 -13.406 6.019 -37.708 1.00 0.00 C ATOM 250 O SER A 15 -13.354 7.244 -37.839 1.00 0.00 O ATOM 251 CB SER A 15 -15.875 6.311 -37.328 1.00 0.00 C ATOM 252 OG SER A 15 -17.116 5.650 -37.125 1.00 0.00 O ATOM 0 H SER A 15 -14.874 3.382 -36.727 1.00 0.00 H new ATOM 0 HA SER A 15 -14.944 4.752 -38.469 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.646 6.935 -36.464 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.949 6.974 -38.190 1.00 0.00 H new ATOM 0 HG SER A 15 -17.822 6.315 -36.985 1.00 0.00 H new ATOM 258 N LYS A 16 -12.326 5.239 -37.715 1.00 0.00 N ATOM 259 CA LYS A 16 -10.967 5.772 -37.824 1.00 0.00 C ATOM 260 C LYS A 16 -10.669 6.272 -39.236 1.00 0.00 C ATOM 261 O LYS A 16 -9.628 5.954 -39.816 1.00 0.00 O ATOM 262 CB LYS A 16 -9.953 4.693 -37.445 1.00 0.00 C ATOM 263 CG LYS A 16 -9.952 4.329 -35.969 1.00 0.00 C ATOM 264 CD LYS A 16 -9.078 3.109 -35.677 1.00 0.00 C ATOM 265 CE LYS A 16 -7.640 3.290 -36.153 1.00 0.00 C ATOM 266 NZ LYS A 16 -7.472 2.959 -37.596 1.00 0.00 N ATOM 0 H LYS A 16 -12.367 4.222 -37.646 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.888 6.616 -37.139 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.159 3.796 -38.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.956 5.033 -37.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.594 5.178 -35.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.973 4.128 -35.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.080 2.914 -34.605 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.510 2.233 -36.161 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.331 4.321 -35.981 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.981 2.657 -35.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.714 2.255 -37.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.362 2.570 -37.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.223 3.820 -38.123 1.00 0.00 H new ATOM 280 N THR A 17 -11.580 7.050 -39.783 1.00 0.00 N ATOM 281 CA THR A 17 -11.422 7.583 -41.113 1.00 0.00 C ATOM 282 C THR A 17 -11.186 9.090 -41.071 1.00 0.00 C ATOM 283 O THR A 17 -10.506 9.641 -41.934 1.00 0.00 O ATOM 284 CB THR A 17 -12.647 7.251 -42.000 1.00 0.00 C ATOM 285 OG1 THR A 17 -12.425 7.688 -43.348 1.00 0.00 O ATOM 286 CG2 THR A 17 -13.917 7.897 -41.458 1.00 0.00 C ATOM 0 H THR A 17 -12.445 7.327 -39.318 1.00 0.00 H new ATOM 0 HA THR A 17 -10.546 7.109 -41.556 1.00 0.00 H new ATOM 0 HB THR A 17 -12.776 6.169 -41.987 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.208 7.469 -43.896 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.758 7.644 -42.104 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.110 7.530 -40.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.792 8.980 -41.432 1.00 0.00 H new ATOM 294 N TRP A 18 -11.720 9.751 -40.047 1.00 0.00 N ATOM 295 CA TRP A 18 -11.635 11.204 -39.964 1.00 0.00 C ATOM 296 C TRP A 18 -11.613 11.672 -38.506 1.00 0.00 C ATOM 297 O TRP A 18 -11.975 12.807 -38.198 1.00 0.00 O ATOM 298 CB TRP A 18 -12.822 11.827 -40.707 1.00 0.00 C ATOM 299 CG TRP A 18 -12.553 13.202 -41.242 1.00 0.00 C ATOM 300 CD1 TRP A 18 -12.881 14.393 -40.661 1.00 0.00 C ATOM 301 CD2 TRP A 18 -11.904 13.525 -42.478 1.00 0.00 C ATOM 302 NE1 TRP A 18 -12.472 15.433 -41.456 1.00 0.00 N ATOM 303 CE2 TRP A 18 -11.872 14.928 -42.577 1.00 0.00 C ATOM 304 CE3 TRP A 18 -11.347 12.763 -43.509 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -11.304 15.585 -43.665 1.00 0.00 C ATOM 306 CZ3 TRP A 18 -10.785 13.417 -44.590 1.00 0.00 C ATOM 307 CH2 TRP A 18 -10.768 14.814 -44.661 1.00 0.00 C ATOM 0 H TRP A 18 -12.211 9.308 -39.271 1.00 0.00 H new ATOM 0 HA TRP A 18 -10.705 11.528 -40.431 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.102 11.175 -41.534 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.677 11.872 -40.032 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.388 14.501 -39.714 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.595 16.423 -41.245 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.355 11.684 -43.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -11.287 16.663 -43.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.352 12.839 -45.393 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.323 15.294 -45.520 1.00 0.00 H new ATOM 318 N SER A 19 -11.176 10.798 -37.610 1.00 0.00 N ATOM 319 CA SER A 19 -11.132 11.119 -36.185 1.00 0.00 C ATOM 320 C SER A 19 -9.880 11.930 -35.843 1.00 0.00 C ATOM 321 O SER A 19 -9.011 11.469 -35.101 1.00 0.00 O ATOM 322 CB SER A 19 -11.167 9.829 -35.364 1.00 0.00 C ATOM 323 OG SER A 19 -12.237 8.998 -35.778 1.00 0.00 O ATOM 0 H SER A 19 -10.846 9.861 -37.842 1.00 0.00 H new ATOM 0 HA SER A 19 -12.003 11.726 -35.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.223 9.296 -35.475 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.275 10.069 -34.306 1.00 0.00 H new ATOM 0 HG SER A 19 -12.020 8.591 -36.643 1.00 0.00 H new ATOM 329 N GLY A 20 -9.792 13.136 -36.400 1.00 0.00 N ATOM 330 CA GLY A 20 -8.645 13.995 -36.163 1.00 0.00 C ATOM 331 C GLY A 20 -7.350 13.368 -36.639 1.00 0.00 C ATOM 332 O GLY A 20 -6.282 13.629 -36.088 1.00 0.00 O ATOM 0 H GLY A 20 -10.501 13.535 -37.016 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.795 14.947 -36.673 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.571 14.213 -35.098 1.00 0.00 H new ATOM 336 N THR A 21 -7.439 12.562 -37.683 1.00 0.00 N ATOM 337 CA THR A 21 -6.310 11.760 -38.122 1.00 0.00 C ATOM 338 C THR A 21 -5.346 12.556 -39.001 1.00 0.00 C ATOM 339 O THR A 21 -4.140 12.295 -39.007 1.00 0.00 O ATOM 340 CB THR A 21 -6.786 10.496 -38.874 1.00 0.00 C ATOM 341 OG1 THR A 21 -5.667 9.693 -39.263 1.00 0.00 O ATOM 342 CG2 THR A 21 -7.605 10.864 -40.102 1.00 0.00 C ATOM 0 H THR A 21 -8.283 12.446 -38.243 1.00 0.00 H new ATOM 0 HA THR A 21 -5.772 11.458 -37.223 1.00 0.00 H new ATOM 0 HB THR A 21 -7.418 9.924 -38.195 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.985 8.896 -39.736 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.926 9.955 -40.611 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.480 11.438 -39.797 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.996 11.463 -40.779 1.00 0.00 H new ATOM 350 N LYS A 22 -5.868 13.544 -39.715 1.00 0.00 N ATOM 351 CA LYS A 22 -5.070 14.267 -40.697 1.00 0.00 C ATOM 352 C LYS A 22 -4.094 15.238 -40.048 1.00 0.00 C ATOM 353 O LYS A 22 -3.084 15.594 -40.652 1.00 0.00 O ATOM 354 CB LYS A 22 -5.966 15.021 -41.677 1.00 0.00 C ATOM 355 CG LYS A 22 -6.712 14.113 -42.640 1.00 0.00 C ATOM 356 CD LYS A 22 -7.494 14.912 -43.673 1.00 0.00 C ATOM 357 CE LYS A 22 -6.587 15.809 -44.512 1.00 0.00 C ATOM 358 NZ LYS A 22 -5.532 15.037 -45.223 1.00 0.00 N ATOM 0 H LYS A 22 -6.834 13.862 -39.634 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.490 13.519 -41.237 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.689 15.613 -41.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.357 15.721 -42.249 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.003 13.458 -43.147 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.395 13.472 -42.082 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.033 14.227 -44.328 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.241 15.524 -43.168 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.190 16.352 -45.240 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.118 16.553 -43.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.039 15.660 -45.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.850 14.664 -44.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.969 14.247 -45.740 1.00 0.00 H new ATOM 372 N LYS A 23 -4.390 15.675 -38.834 1.00 0.00 N ATOM 373 CA LYS A 23 -3.527 16.633 -38.162 1.00 0.00 C ATOM 374 C LYS A 23 -3.120 16.152 -36.775 1.00 0.00 C ATOM 375 O LYS A 23 -1.939 16.131 -36.445 1.00 0.00 O ATOM 376 CB LYS A 23 -4.207 18.001 -38.057 1.00 0.00 C ATOM 377 CG LYS A 23 -4.610 18.592 -39.399 1.00 0.00 C ATOM 378 CD LYS A 23 -5.162 20.004 -39.252 1.00 0.00 C ATOM 379 CE LYS A 23 -6.426 20.033 -38.407 1.00 0.00 C ATOM 380 NZ LYS A 23 -7.537 19.266 -39.029 1.00 0.00 N ATOM 0 H LYS A 23 -5.210 15.386 -38.300 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.625 16.728 -38.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.094 17.908 -37.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.533 18.694 -37.554 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.746 18.607 -40.064 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.361 17.955 -39.866 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.406 20.644 -38.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.375 20.415 -40.239 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.211 19.622 -37.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.739 21.067 -38.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.416 19.438 -38.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.661 19.572 -40.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.313 18.251 -39.007 1.00 0.00 H new ATOM 394 N ARG A 24 -4.095 15.760 -35.968 1.00 0.00 N ATOM 395 CA ARG A 24 -3.823 15.373 -34.587 1.00 0.00 C ATOM 396 C ARG A 24 -3.146 14.011 -34.523 1.00 0.00 C ATOM 397 O ARG A 24 -2.040 13.875 -33.996 1.00 0.00 O ATOM 398 CB ARG A 24 -5.120 15.345 -33.775 1.00 0.00 C ATOM 399 CG ARG A 24 -5.810 16.693 -33.675 1.00 0.00 C ATOM 400 CD ARG A 24 -7.172 16.577 -33.008 1.00 0.00 C ATOM 401 NE ARG A 24 -7.087 16.073 -31.638 1.00 0.00 N ATOM 402 CZ ARG A 24 -8.071 16.181 -30.744 1.00 0.00 C ATOM 403 NH1 ARG A 24 -9.211 16.774 -31.078 1.00 0.00 N ATOM 404 NH2 ARG A 24 -7.916 15.693 -29.518 1.00 0.00 N ATOM 0 H ARG A 24 -5.076 15.701 -36.241 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.149 16.115 -34.159 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.806 14.629 -34.228 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.901 14.984 -32.770 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.184 17.382 -33.108 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.928 17.117 -34.672 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.654 17.555 -33.002 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.805 15.913 -33.597 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.224 15.612 -31.349 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.335 17.147 -32.019 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.963 16.856 -30.394 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.043 15.234 -29.258 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.670 15.777 -28.836 1.00 0.00 H new ATOM 418 N ALA A 25 -3.803 13.008 -35.085 1.00 0.00 N ATOM 419 CA ALA A 25 -3.338 11.637 -34.971 1.00 0.00 C ATOM 420 C ALA A 25 -2.015 11.410 -35.686 1.00 0.00 C ATOM 421 O ALA A 25 -1.202 10.604 -35.235 1.00 0.00 O ATOM 422 CB ALA A 25 -4.384 10.665 -35.490 1.00 0.00 C ATOM 0 H ALA A 25 -4.661 13.120 -35.625 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.173 11.452 -33.910 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.012 9.645 -35.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.301 10.773 -34.910 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.591 10.879 -36.539 1.00 0.00 H new ATOM 428 N GLN A 26 -1.795 12.127 -36.790 1.00 0.00 N ATOM 429 CA GLN A 26 -0.593 11.935 -37.606 1.00 0.00 C ATOM 430 C GLN A 26 0.679 12.151 -36.788 1.00 0.00 C ATOM 431 O GLN A 26 1.738 11.630 -37.127 1.00 0.00 O ATOM 432 CB GLN A 26 -0.583 12.881 -38.816 1.00 0.00 C ATOM 433 CG GLN A 26 -0.325 14.336 -38.459 1.00 0.00 C ATOM 434 CD GLN A 26 0.356 15.098 -39.579 1.00 0.00 C ATOM 435 OE1 GLN A 26 1.583 15.157 -39.643 1.00 0.00 O ATOM 436 NE2 GLN A 26 -0.424 15.687 -40.467 1.00 0.00 N ATOM 0 H GLN A 26 -2.431 12.844 -37.139 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.615 10.904 -37.959 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.181 12.548 -39.518 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.541 12.808 -39.330 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.271 14.820 -38.217 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.295 14.382 -37.563 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.438 15.616 -40.382 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.013 16.213 -41.238 1.00 0.00 H new ATOM 445 N ARG A 27 0.561 12.915 -35.713 1.00 0.00 N ATOM 446 CA ARG A 27 1.706 13.250 -34.885 1.00 0.00 C ATOM 447 C ARG A 27 2.121 12.066 -34.010 1.00 0.00 C ATOM 448 O ARG A 27 3.258 11.596 -34.087 1.00 0.00 O ATOM 449 CB ARG A 27 1.373 14.471 -34.027 1.00 0.00 C ATOM 450 CG ARG A 27 1.001 15.692 -34.853 1.00 0.00 C ATOM 451 CD ARG A 27 0.447 16.819 -33.996 1.00 0.00 C ATOM 452 NE ARG A 27 0.040 17.962 -34.813 1.00 0.00 N ATOM 453 CZ ARG A 27 -0.873 18.863 -34.453 1.00 0.00 C ATOM 454 NH1 ARG A 27 -1.479 18.773 -33.275 1.00 0.00 N ATOM 455 NH2 ARG A 27 -1.176 19.859 -35.276 1.00 0.00 N ATOM 0 H ARG A 27 -0.321 13.316 -35.394 1.00 0.00 H new ATOM 0 HA ARG A 27 2.551 13.487 -35.532 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.547 14.225 -33.359 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.230 14.712 -33.398 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.880 16.046 -35.391 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.261 15.410 -35.602 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.407 16.457 -33.424 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.202 17.135 -33.276 1.00 0.00 H new ATOM 0 HE ARG A 27 0.487 18.077 -35.723 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.247 18.010 -32.639 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.177 19.467 -33.006 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.710 19.933 -36.181 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.874 20.551 -35.004 1.00 0.00 H new ATOM 469 N ILE A 28 1.196 11.572 -33.195 1.00 0.00 N ATOM 470 CA ILE A 28 1.514 10.503 -32.252 1.00 0.00 C ATOM 471 C ILE A 28 0.592 9.295 -32.415 1.00 0.00 C ATOM 472 O ILE A 28 1.061 8.157 -32.474 1.00 0.00 O ATOM 473 CB ILE A 28 1.416 10.991 -30.788 1.00 0.00 C ATOM 474 CG1 ILE A 28 2.362 12.170 -30.536 1.00 0.00 C ATOM 475 CG2 ILE A 28 1.712 9.850 -29.824 1.00 0.00 C ATOM 476 CD1 ILE A 28 3.825 11.833 -30.719 1.00 0.00 C ATOM 0 H ILE A 28 0.227 11.890 -33.167 1.00 0.00 H new ATOM 0 HA ILE A 28 2.538 10.205 -32.477 1.00 0.00 H new ATOM 0 HB ILE A 28 0.397 11.335 -30.614 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.100 12.984 -31.212 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.208 12.536 -29.521 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.638 10.212 -28.798 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.991 9.047 -29.978 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.719 9.473 -30.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.430 12.718 -30.523 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.106 11.041 -30.025 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.996 11.496 -31.742 1.00 0.00 H new ATOM 488 N LEU A 29 -0.712 9.547 -32.487 1.00 0.00 N ATOM 489 CA LEU A 29 -1.709 8.474 -32.455 1.00 0.00 C ATOM 490 C LEU A 29 -1.482 7.451 -33.559 1.00 0.00 C ATOM 491 O LEU A 29 -1.552 6.257 -33.305 1.00 0.00 O ATOM 492 CB LEU A 29 -3.137 9.021 -32.551 1.00 0.00 C ATOM 493 CG LEU A 29 -3.674 9.736 -31.303 1.00 0.00 C ATOM 494 CD1 LEU A 29 -2.941 11.044 -31.051 1.00 0.00 C ATOM 495 CD2 LEU A 29 -5.168 9.982 -31.441 1.00 0.00 C ATOM 0 H LEU A 29 -1.106 10.484 -32.568 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.587 7.978 -31.492 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.182 9.716 -33.390 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.806 8.193 -32.786 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.499 9.088 -30.444 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.347 11.523 -30.160 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.880 10.844 -30.904 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.070 11.704 -31.909 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.537 10.490 -30.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.355 10.604 -32.316 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.685 9.029 -31.556 1.00 0.00 H new ATOM 507 N ILE A 30 -1.204 7.917 -34.775 1.00 0.00 N ATOM 508 CA ILE A 30 -0.957 7.014 -35.902 1.00 0.00 C ATOM 509 C ILE A 30 0.163 6.035 -35.566 1.00 0.00 C ATOM 510 O ILE A 30 0.057 4.839 -35.842 1.00 0.00 O ATOM 511 CB ILE A 30 -0.607 7.795 -37.195 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.820 8.594 -37.685 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.115 6.854 -38.289 1.00 0.00 C ATOM 514 CD1 ILE A 30 -3.042 7.746 -37.972 1.00 0.00 C ATOM 0 H ILE A 30 -1.144 8.909 -35.007 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.877 6.458 -36.083 1.00 0.00 H new ATOM 0 HB ILE A 30 0.198 8.491 -36.959 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.077 9.341 -36.934 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.544 9.134 -38.591 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.123 7.429 -39.184 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.778 6.332 -37.945 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.894 6.127 -38.521 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.856 8.385 -38.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.805 7.016 -38.746 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.346 7.226 -37.063 1.00 0.00 H new ATOM 526 N PHE A 31 1.212 6.546 -34.935 1.00 0.00 N ATOM 527 CA PHE A 31 2.326 5.718 -34.502 1.00 0.00 C ATOM 528 C PHE A 31 1.871 4.754 -33.413 1.00 0.00 C ATOM 529 O PHE A 31 2.064 3.545 -33.524 1.00 0.00 O ATOM 530 CB PHE A 31 3.466 6.591 -33.974 1.00 0.00 C ATOM 531 CG PHE A 31 4.690 5.812 -33.582 1.00 0.00 C ATOM 532 CD1 PHE A 31 5.552 5.318 -34.547 1.00 0.00 C ATOM 533 CD2 PHE A 31 4.978 5.574 -32.246 1.00 0.00 C ATOM 534 CE1 PHE A 31 6.678 4.601 -34.189 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.104 4.858 -31.882 1.00 0.00 C ATOM 536 CZ PHE A 31 6.955 4.370 -32.855 1.00 0.00 C ATOM 0 H PHE A 31 1.313 7.536 -34.711 1.00 0.00 H new ATOM 0 HA PHE A 31 2.685 5.148 -35.358 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.738 7.319 -34.738 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.111 7.153 -33.110 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.342 5.495 -35.591 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.315 5.952 -31.481 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.341 4.221 -34.952 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.318 4.681 -30.838 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.834 3.810 -32.574 1.00 0.00 H new ATOM 546 N LEU A 32 1.258 5.305 -32.368 1.00 0.00 N ATOM 547 CA LEU A 32 0.793 4.515 -31.234 1.00 0.00 C ATOM 548 C LEU A 32 -0.204 3.434 -31.655 1.00 0.00 C ATOM 549 O LEU A 32 -0.231 2.358 -31.067 1.00 0.00 O ATOM 550 CB LEU A 32 0.172 5.421 -30.163 1.00 0.00 C ATOM 551 CG LEU A 32 1.163 6.284 -29.382 1.00 0.00 C ATOM 552 CD1 LEU A 32 0.458 6.984 -28.230 1.00 0.00 C ATOM 553 CD2 LEU A 32 2.323 5.445 -28.869 1.00 0.00 C ATOM 0 H LEU A 32 1.071 6.304 -32.285 1.00 0.00 H new ATOM 0 HA LEU A 32 1.665 4.012 -30.815 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.556 6.076 -30.642 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.377 4.798 -29.457 1.00 0.00 H new ATOM 0 HG LEU A 32 1.566 7.041 -30.055 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.175 7.595 -27.682 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.336 7.620 -28.622 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.029 6.239 -27.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.015 6.080 -28.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.944 4.663 -28.211 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.843 4.989 -29.712 1.00 0.00 H new ATOM 565 N LEU A 33 -1.012 3.723 -32.670 1.00 0.00 N ATOM 566 CA LEU A 33 -1.974 2.752 -33.189 1.00 0.00 C ATOM 567 C LEU A 33 -1.273 1.492 -33.664 1.00 0.00 C ATOM 568 O LEU A 33 -1.445 0.418 -33.092 1.00 0.00 O ATOM 569 CB LEU A 33 -2.772 3.342 -34.352 1.00 0.00 C ATOM 570 CG LEU A 33 -3.749 4.452 -33.983 1.00 0.00 C ATOM 571 CD1 LEU A 33 -4.427 4.989 -35.230 1.00 0.00 C ATOM 572 CD2 LEU A 33 -4.777 3.935 -32.993 1.00 0.00 C ATOM 0 H LEU A 33 -1.021 4.622 -33.151 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.653 2.502 -32.373 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.071 3.730 -35.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.328 2.537 -34.833 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.198 5.267 -33.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.123 5.781 -34.953 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.674 5.388 -35.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.972 4.184 -35.723 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.470 4.736 -32.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.328 3.108 -33.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.272 3.589 -32.091 1.00 0.00 H new ATOM 584 N GLU A 34 -0.482 1.641 -34.714 1.00 0.00 N ATOM 585 CA GLU A 34 0.238 0.518 -35.298 1.00 0.00 C ATOM 586 C GLU A 34 1.252 -0.069 -34.319 1.00 0.00 C ATOM 587 O GLU A 34 1.569 -1.256 -34.384 1.00 0.00 O ATOM 588 CB GLU A 34 0.926 0.940 -36.595 1.00 0.00 C ATOM 589 CG GLU A 34 1.793 2.180 -36.474 1.00 0.00 C ATOM 590 CD GLU A 34 2.368 2.606 -37.807 1.00 0.00 C ATOM 591 OE1 GLU A 34 3.495 2.183 -38.136 1.00 0.00 O ATOM 592 OE2 GLU A 34 1.683 3.346 -38.543 1.00 0.00 O ATOM 0 H GLU A 34 -0.321 2.533 -35.182 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.490 -0.261 -35.525 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.543 0.114 -36.949 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.164 1.118 -37.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.202 2.996 -36.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.606 1.986 -35.774 1.00 0.00 H new ATOM 599 N PHE A 35 1.759 0.760 -33.420 1.00 0.00 N ATOM 600 CA PHE A 35 2.646 0.291 -32.364 1.00 0.00 C ATOM 601 C PHE A 35 1.897 -0.649 -31.427 1.00 0.00 C ATOM 602 O PHE A 35 2.336 -1.771 -31.190 1.00 0.00 O ATOM 603 CB PHE A 35 3.225 1.473 -31.579 1.00 0.00 C ATOM 604 CG PHE A 35 4.207 1.073 -30.513 1.00 0.00 C ATOM 605 CD1 PHE A 35 5.526 0.800 -30.836 1.00 0.00 C ATOM 606 CD2 PHE A 35 3.812 0.973 -29.187 1.00 0.00 C ATOM 607 CE1 PHE A 35 6.432 0.432 -29.859 1.00 0.00 C ATOM 608 CE2 PHE A 35 4.712 0.606 -28.207 1.00 0.00 C ATOM 609 CZ PHE A 35 6.024 0.335 -28.542 1.00 0.00 C ATOM 0 H PHE A 35 1.572 1.762 -33.400 1.00 0.00 H new ATOM 0 HA PHE A 35 3.471 -0.253 -32.823 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.716 2.153 -32.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.407 2.025 -31.117 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.850 0.876 -31.863 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.788 1.185 -28.918 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.457 0.221 -30.124 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.390 0.531 -27.179 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.730 0.048 -27.777 1.00 0.00 H new ATOM 619 N LEU A 36 0.758 -0.190 -30.915 1.00 0.00 N ATOM 620 CA LEU A 36 -0.065 -0.998 -30.025 1.00 0.00 C ATOM 621 C LEU A 36 -0.559 -2.236 -30.768 1.00 0.00 C ATOM 622 O LEU A 36 -0.579 -3.338 -30.220 1.00 0.00 O ATOM 623 CB LEU A 36 -1.253 -0.171 -29.516 1.00 0.00 C ATOM 624 CG LEU A 36 -1.731 -0.479 -28.091 1.00 0.00 C ATOM 625 CD1 LEU A 36 -2.828 0.491 -27.683 1.00 0.00 C ATOM 626 CD2 LEU A 36 -2.230 -1.911 -27.968 1.00 0.00 C ATOM 0 H LEU A 36 0.385 0.740 -31.103 1.00 0.00 H new ATOM 0 HA LEU A 36 0.531 -1.314 -29.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.983 0.884 -29.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.091 -0.319 -30.198 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.879 -0.361 -27.422 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.158 0.262 -26.670 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.444 1.510 -27.717 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.670 0.398 -28.369 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.561 -2.095 -26.946 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.064 -2.066 -28.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.423 -2.600 -28.218 1.00 0.00 H new ATOM 638 N LEU A 37 -0.946 -2.037 -32.025 1.00 0.00 N ATOM 639 CA LEU A 37 -1.395 -3.123 -32.880 1.00 0.00 C ATOM 640 C LEU A 37 -0.322 -4.207 -32.947 1.00 0.00 C ATOM 641 O LEU A 37 -0.576 -5.353 -32.600 1.00 0.00 O ATOM 642 CB LEU A 37 -1.703 -2.581 -34.284 1.00 0.00 C ATOM 643 CG LEU A 37 -2.751 -3.358 -35.090 1.00 0.00 C ATOM 644 CD1 LEU A 37 -3.129 -2.584 -36.343 1.00 0.00 C ATOM 645 CD2 LEU A 37 -2.245 -4.744 -35.465 1.00 0.00 C ATOM 0 H LEU A 37 -0.956 -1.121 -32.475 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.304 -3.560 -32.466 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.040 -1.549 -34.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.775 -2.561 -34.856 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.634 -3.479 -34.463 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.874 -3.146 -36.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.542 -1.615 -36.062 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.243 -2.435 -36.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.011 -5.269 -36.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.343 -4.651 -36.069 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.018 -5.306 -34.559 1.00 0.00 H new ATOM 657 N ASP A 38 0.880 -3.815 -33.360 1.00 0.00 N ATOM 658 CA ASP A 38 2.013 -4.737 -33.475 1.00 0.00 C ATOM 659 C ASP A 38 2.343 -5.359 -32.126 1.00 0.00 C ATOM 660 O ASP A 38 2.649 -6.546 -32.024 1.00 0.00 O ATOM 661 CB ASP A 38 3.239 -3.984 -33.990 1.00 0.00 C ATOM 662 CG ASP A 38 4.395 -4.901 -34.341 1.00 0.00 C ATOM 663 OD1 ASP A 38 5.133 -5.322 -33.427 1.00 0.00 O ATOM 664 OD2 ASP A 38 4.586 -5.188 -35.543 1.00 0.00 O ATOM 0 H ASP A 38 1.099 -2.854 -33.624 1.00 0.00 H new ATOM 0 HA ASP A 38 1.740 -5.529 -34.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.960 -3.407 -34.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.565 -3.271 -33.233 1.00 0.00 H new ATOM 669 N PHE A 39 2.292 -4.523 -31.103 1.00 0.00 N ATOM 670 CA PHE A 39 2.580 -4.934 -29.732 1.00 0.00 C ATOM 671 C PHE A 39 1.718 -6.117 -29.289 1.00 0.00 C ATOM 672 O PHE A 39 2.218 -7.066 -28.686 1.00 0.00 O ATOM 673 CB PHE A 39 2.373 -3.747 -28.784 1.00 0.00 C ATOM 674 CG PHE A 39 2.451 -4.099 -27.326 1.00 0.00 C ATOM 675 CD1 PHE A 39 1.300 -4.157 -26.556 1.00 0.00 C ATOM 676 CD2 PHE A 39 3.669 -4.370 -26.727 1.00 0.00 C ATOM 677 CE1 PHE A 39 1.364 -4.482 -25.217 1.00 0.00 C ATOM 678 CE2 PHE A 39 3.739 -4.694 -25.386 1.00 0.00 C ATOM 679 CZ PHE A 39 2.585 -4.751 -24.631 1.00 0.00 C ATOM 0 H PHE A 39 2.049 -3.537 -31.196 1.00 0.00 H new ATOM 0 HA PHE A 39 3.619 -5.261 -29.696 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.123 -2.987 -29.003 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.399 -3.301 -28.986 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.343 -3.945 -27.009 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.574 -4.328 -27.314 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.460 -4.526 -24.628 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.695 -4.902 -24.929 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.637 -5.006 -23.583 1.00 0.00 H new ATOM 689 N CYS A 40 0.429 -6.065 -29.583 1.00 0.00 N ATOM 690 CA CYS A 40 -0.488 -7.094 -29.111 1.00 0.00 C ATOM 691 C CYS A 40 -0.767 -8.148 -30.181 1.00 0.00 C ATOM 692 O CYS A 40 -0.929 -9.330 -29.872 1.00 0.00 O ATOM 693 CB CYS A 40 -1.798 -6.459 -28.637 1.00 0.00 C ATOM 694 SG CYS A 40 -2.615 -5.420 -29.871 1.00 0.00 S ATOM 0 H CYS A 40 -0.005 -5.329 -30.141 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.009 -7.600 -28.273 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.483 -7.251 -28.336 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.596 -5.858 -27.750 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.898 -4.358 -30.087 1.00 0.00 H new ATOM 700 N THR A 41 -0.814 -7.729 -31.432 1.00 0.00 N ATOM 701 CA THR A 41 -1.179 -8.618 -32.517 1.00 0.00 C ATOM 702 C THR A 41 -0.134 -8.574 -33.630 1.00 0.00 C ATOM 703 O THR A 41 0.549 -7.572 -33.816 1.00 0.00 O ATOM 704 CB THR A 41 -2.555 -8.224 -33.088 1.00 0.00 C ATOM 705 OG1 THR A 41 -3.460 -7.917 -32.015 1.00 0.00 O ATOM 706 CG2 THR A 41 -3.140 -9.343 -33.930 1.00 0.00 C ATOM 0 H THR A 41 -0.603 -6.774 -31.722 1.00 0.00 H new ATOM 0 HA THR A 41 -1.228 -9.632 -32.121 1.00 0.00 H new ATOM 0 HB THR A 41 -2.417 -7.347 -33.721 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.159 -7.105 -31.556 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.111 -9.036 -34.319 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.469 -9.562 -34.760 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.261 -10.235 -33.316 1.00 0.00 H new ATOM 714 N GLY A 42 -0.012 -9.666 -34.360 1.00 0.00 N ATOM 715 CA GLY A 42 0.928 -9.723 -35.457 1.00 0.00 C ATOM 716 C GLY A 42 0.236 -10.034 -36.764 1.00 0.00 C ATOM 717 O GLY A 42 -0.903 -10.510 -36.765 1.00 0.00 O ATOM 0 H GLY A 42 -0.550 -10.520 -34.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.451 -8.770 -35.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.681 -10.484 -35.253 1.00 0.00 H new ATOM 721 N GLU A 43 0.912 -9.754 -37.872 1.00 0.00 N ATOM 722 CA GLU A 43 0.364 -10.012 -39.191 1.00 0.00 C ATOM 723 C GLU A 43 0.010 -11.486 -39.354 1.00 0.00 C ATOM 724 O GLU A 43 0.810 -12.369 -39.038 1.00 0.00 O ATOM 725 CB GLU A 43 1.358 -9.604 -40.284 1.00 0.00 C ATOM 726 CG GLU A 43 1.634 -8.108 -40.366 1.00 0.00 C ATOM 727 CD GLU A 43 2.659 -7.638 -39.354 1.00 0.00 C ATOM 728 OE1 GLU A 43 3.869 -7.697 -39.659 1.00 0.00 O ATOM 729 OE2 GLU A 43 2.265 -7.205 -38.255 1.00 0.00 O ATOM 0 H GLU A 43 1.847 -9.346 -37.879 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.542 -9.415 -39.292 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.300 -10.125 -40.112 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.977 -9.943 -41.247 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.983 -7.863 -41.369 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.703 -7.563 -40.211 1.00 0.00 H new ATOM 736 N ASP A 44 -1.201 -11.742 -39.835 1.00 0.00 N ATOM 737 CA ASP A 44 -1.660 -13.105 -40.079 1.00 0.00 C ATOM 738 C ASP A 44 -1.046 -13.628 -41.368 1.00 0.00 C ATOM 739 O ASP A 44 -0.827 -14.831 -41.514 1.00 0.00 O ATOM 740 CB ASP A 44 -3.193 -13.162 -40.157 1.00 0.00 C ATOM 741 CG ASP A 44 -3.754 -12.518 -41.413 1.00 0.00 C ATOM 742 OD1 ASP A 44 -3.538 -11.306 -41.619 1.00 0.00 O ATOM 743 OD2 ASP A 44 -4.427 -13.214 -42.196 1.00 0.00 O ATOM 0 H ASP A 44 -1.885 -11.021 -40.065 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.342 -13.734 -39.248 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.514 -14.203 -40.116 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.613 -12.665 -39.283 1.00 0.00 H new ATOM 748 N SER A 45 -0.759 -12.707 -42.281 1.00 0.00 N ATOM 749 CA SER A 45 -0.027 -13.002 -43.511 1.00 0.00 C ATOM 750 C SER A 45 -0.571 -14.234 -44.236 1.00 0.00 C ATOM 751 O SER A 45 0.144 -15.217 -44.446 1.00 0.00 O ATOM 752 CB SER A 45 1.457 -13.173 -43.193 1.00 0.00 C ATOM 753 OG SER A 45 1.956 -12.025 -42.523 1.00 0.00 O ATOM 0 H SER A 45 -1.029 -11.728 -42.190 1.00 0.00 H new ATOM 0 HA SER A 45 -0.163 -12.159 -44.189 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.603 -14.056 -42.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.016 -13.336 -44.114 1.00 0.00 H new ATOM 0 HG SER A 45 2.907 -12.150 -42.324 1.00 0.00 H new ATOM 759 N VAL A 46 -1.849 -14.183 -44.582 1.00 0.00 N ATOM 760 CA VAL A 46 -2.453 -15.196 -45.438 1.00 0.00 C ATOM 761 C VAL A 46 -2.699 -14.589 -46.818 1.00 0.00 C ATOM 762 O VAL A 46 -2.982 -15.290 -47.794 1.00 0.00 O ATOM 763 CB VAL A 46 -3.778 -15.733 -44.844 1.00 0.00 C ATOM 764 CG1 VAL A 46 -4.322 -16.894 -45.665 1.00 0.00 C ATOM 765 CG2 VAL A 46 -3.579 -16.158 -43.396 1.00 0.00 C ATOM 0 H VAL A 46 -2.490 -13.449 -44.282 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.770 -16.042 -45.515 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.509 -14.925 -44.877 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.253 -17.248 -45.222 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.510 -16.561 -46.686 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.594 -17.705 -45.676 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.520 -16.533 -42.994 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.825 -16.944 -43.348 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.249 -15.302 -42.808 1.00 0.00 H new ATOM 775 N ASP A 47 -2.570 -13.260 -46.869 1.00 0.00 N ATOM 776 CA ASP A 47 -2.690 -12.479 -48.102 1.00 0.00 C ATOM 777 C ASP A 47 -4.120 -12.506 -48.632 1.00 0.00 C ATOM 778 O ASP A 47 -5.050 -12.886 -47.920 1.00 0.00 O ATOM 779 CB ASP A 47 -1.725 -12.990 -49.172 1.00 0.00 C ATOM 780 CG ASP A 47 -1.187 -11.876 -50.045 1.00 0.00 C ATOM 781 OD1 ASP A 47 -0.060 -11.406 -49.783 1.00 0.00 O ATOM 782 OD2 ASP A 47 -1.888 -11.457 -50.988 1.00 0.00 O ATOM 0 H ASP A 47 -2.377 -12.690 -46.045 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.429 -11.448 -47.863 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.893 -13.505 -48.691 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.235 -13.723 -49.797 1.00 0.00 H new ATOM 787 N GLY A 48 -4.292 -12.082 -49.877 1.00 0.00 N ATOM 788 CA GLY A 48 -5.612 -12.016 -50.468 1.00 0.00 C ATOM 789 C GLY A 48 -6.248 -10.660 -50.263 1.00 0.00 C ATOM 790 O GLY A 48 -7.225 -10.312 -50.923 1.00 0.00 O ATOM 0 H GLY A 48 -3.535 -11.781 -50.491 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.544 -12.229 -51.535 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.246 -12.786 -50.029 1.00 0.00 H new ATOM 794 N LYS A 49 -5.681 -9.889 -49.345 1.00 0.00 N ATOM 795 CA LYS A 49 -6.201 -8.567 -49.022 1.00 0.00 C ATOM 796 C LYS A 49 -5.067 -7.563 -48.856 1.00 0.00 C ATOM 797 O LYS A 49 -4.823 -7.060 -47.757 1.00 0.00 O ATOM 798 CB LYS A 49 -7.038 -8.611 -47.737 1.00 0.00 C ATOM 799 CG LYS A 49 -8.332 -9.396 -47.867 1.00 0.00 C ATOM 800 CD LYS A 49 -9.134 -9.353 -46.578 1.00 0.00 C ATOM 801 CE LYS A 49 -10.478 -10.045 -46.732 1.00 0.00 C ATOM 802 NZ LYS A 49 -10.338 -11.494 -47.033 1.00 0.00 N ATOM 0 H LYS A 49 -4.856 -10.158 -48.808 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.836 -8.250 -49.850 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.438 -9.050 -46.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.273 -7.591 -47.434 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.928 -8.987 -48.683 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.108 -10.431 -48.124 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.567 -9.832 -45.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.290 -8.316 -46.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.055 -9.921 -45.815 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.042 -9.564 -47.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.275 -11.945 -47.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.917 -11.613 -47.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.724 -11.939 -46.321 1.00 0.00 H new ATOM 816 N LYS A 50 -4.374 -7.274 -49.943 1.00 0.00 N ATOM 817 CA LYS A 50 -3.286 -6.310 -49.909 1.00 0.00 C ATOM 818 C LYS A 50 -3.814 -4.913 -50.215 1.00 0.00 C ATOM 819 O LYS A 50 -3.895 -4.064 -49.325 1.00 0.00 O ATOM 820 CB LYS A 50 -2.196 -6.690 -50.912 1.00 0.00 C ATOM 821 CG LYS A 50 -0.904 -5.914 -50.724 1.00 0.00 C ATOM 822 CD LYS A 50 0.047 -6.124 -51.891 1.00 0.00 C ATOM 823 CE LYS A 50 1.402 -5.490 -51.630 1.00 0.00 C ATOM 824 NZ LYS A 50 2.144 -6.190 -50.550 1.00 0.00 N ATOM 0 H LYS A 50 -4.544 -7.691 -50.858 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.852 -6.316 -48.909 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.987 -7.756 -50.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.568 -6.522 -51.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.128 -4.852 -50.622 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.421 -6.228 -49.799 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.173 -7.192 -52.071 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.387 -5.698 -52.796 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.993 -5.507 -52.546 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.266 -4.443 -51.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.368 -5.517 -49.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.558 -6.960 -50.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.026 -6.584 -50.934 1.00 0.00 H new ATOM 838 N ARG A 51 -4.210 -4.701 -51.471 1.00 0.00 N ATOM 839 CA ARG A 51 -4.689 -3.400 -51.937 1.00 0.00 C ATOM 840 C ARG A 51 -3.619 -2.333 -51.723 1.00 0.00 C ATOM 841 O ARG A 51 -3.748 -1.473 -50.845 1.00 0.00 O ATOM 842 CB ARG A 51 -5.989 -3.005 -51.226 1.00 0.00 C ATOM 843 CG ARG A 51 -7.117 -4.008 -51.401 1.00 0.00 C ATOM 844 CD ARG A 51 -7.433 -4.236 -52.868 1.00 0.00 C ATOM 845 NE ARG A 51 -8.557 -5.151 -53.051 1.00 0.00 N ATOM 846 CZ ARG A 51 -8.616 -6.072 -54.010 1.00 0.00 C ATOM 847 NH1 ARG A 51 -7.597 -6.233 -54.848 1.00 0.00 N ATOM 848 NH2 ARG A 51 -9.691 -6.839 -54.127 1.00 0.00 N ATOM 0 H ARG A 51 -4.208 -5.424 -52.191 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.898 -3.478 -53.004 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.787 -2.883 -50.162 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.317 -2.036 -51.602 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.840 -4.954 -50.936 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.008 -3.649 -50.887 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.662 -3.281 -53.342 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.553 -4.638 -53.370 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.343 -5.080 -52.405 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.765 -5.649 -54.758 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.647 -6.940 -55.581 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.473 -6.723 -53.482 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.736 -7.545 -54.862 1.00 0.00 H new ATOM 862 N GLN A 52 -2.578 -2.410 -52.561 1.00 0.00 N ATOM 863 CA GLN A 52 -1.326 -1.668 -52.389 1.00 0.00 C ATOM 864 C GLN A 52 -1.539 -0.227 -51.948 1.00 0.00 C ATOM 865 O GLN A 52 -1.303 0.119 -50.792 1.00 0.00 O ATOM 866 CB GLN A 52 -0.512 -1.685 -53.690 1.00 0.00 C ATOM 867 CG GLN A 52 -0.015 -3.065 -54.112 1.00 0.00 C ATOM 868 CD GLN A 52 -1.100 -3.936 -54.716 1.00 0.00 C ATOM 869 OE1 GLN A 52 -1.789 -4.675 -54.011 1.00 0.00 O ATOM 870 NE2 GLN A 52 -1.261 -3.858 -56.026 1.00 0.00 N ATOM 0 H GLN A 52 -2.584 -3.001 -53.392 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.779 -2.174 -51.593 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.125 -1.274 -54.492 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.347 -1.024 -53.574 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.791 -2.947 -54.836 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.407 -3.572 -53.244 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.671 -3.234 -56.576 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.976 -4.422 -56.486 1.00 0.00 H new ATOM 879 N ARG A 53 -1.986 0.608 -52.864 1.00 0.00 N ATOM 880 CA ARG A 53 -2.167 2.021 -52.574 1.00 0.00 C ATOM 881 C ARG A 53 -3.635 2.327 -52.313 1.00 0.00 C ATOM 882 O ARG A 53 -4.183 3.309 -52.808 1.00 0.00 O ATOM 883 CB ARG A 53 -1.620 2.881 -53.716 1.00 0.00 C ATOM 884 CG ARG A 53 -0.111 2.777 -53.873 1.00 0.00 C ATOM 885 CD ARG A 53 0.409 3.695 -54.967 1.00 0.00 C ATOM 886 NE ARG A 53 1.870 3.658 -55.058 1.00 0.00 N ATOM 887 CZ ARG A 53 2.607 4.558 -55.712 1.00 0.00 C ATOM 888 NH1 ARG A 53 2.025 5.543 -56.384 1.00 0.00 N ATOM 889 NH2 ARG A 53 3.931 4.459 -55.704 1.00 0.00 N ATOM 0 H ARG A 53 -2.231 0.336 -53.816 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.605 2.265 -51.672 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.098 2.582 -54.649 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.890 3.922 -53.540 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.371 3.029 -52.928 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.160 1.747 -54.104 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.022 3.401 -55.924 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.083 4.716 -54.770 1.00 0.00 H new ATOM 0 HE ARG A 53 2.357 2.893 -54.590 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.008 5.616 -56.403 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.595 6.227 -56.881 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.382 3.696 -55.199 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.497 5.145 -56.203 1.00 0.00 H new ATOM 903 N HIS A 54 -4.264 1.459 -51.538 1.00 0.00 N ATOM 904 CA HIS A 54 -5.646 1.644 -51.129 1.00 0.00 C ATOM 905 C HIS A 54 -5.794 1.349 -49.646 1.00 0.00 C ATOM 906 O HIS A 54 -6.244 2.194 -48.874 1.00 0.00 O ATOM 907 CB HIS A 54 -6.585 0.749 -51.940 1.00 0.00 C ATOM 908 CG HIS A 54 -6.922 1.289 -53.295 1.00 0.00 C ATOM 909 ND1 HIS A 54 -6.741 0.573 -54.458 1.00 0.00 N ATOM 910 CD2 HIS A 54 -7.455 2.476 -53.666 1.00 0.00 C ATOM 911 CE1 HIS A 54 -7.148 1.295 -55.482 1.00 0.00 C ATOM 912 NE2 HIS A 54 -7.586 2.454 -55.033 1.00 0.00 N ATOM 0 H HIS A 54 -3.832 0.609 -51.176 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.921 2.682 -51.317 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.125 -0.232 -52.055 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.508 0.604 -51.378 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.727 3.289 -53.009 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.126 0.988 -56.517 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.961 3.210 -55.606 1.00 0.00 H new ATOM 921 N SER A 55 -5.402 0.149 -49.253 1.00 0.00 N ATOM 922 CA SER A 55 -5.429 -0.242 -47.853 1.00 0.00 C ATOM 923 C SER A 55 -4.031 -0.161 -47.256 1.00 0.00 C ATOM 924 O SER A 55 -3.825 0.432 -46.196 1.00 0.00 O ATOM 925 CB SER A 55 -5.973 -1.661 -47.704 1.00 0.00 C ATOM 926 OG SER A 55 -7.273 -1.775 -48.258 1.00 0.00 O ATOM 0 H SER A 55 -5.060 -0.574 -49.886 1.00 0.00 H new ATOM 0 HA SER A 55 -6.085 0.444 -47.318 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.302 -2.364 -48.198 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.000 -1.934 -46.649 1.00 0.00 H new ATOM 0 HG SER A 55 -7.595 -2.694 -48.150 1.00 0.00 H new ATOM 932 N GLY A 56 -3.075 -0.753 -47.951 1.00 0.00 N ATOM 933 CA GLY A 56 -1.714 -0.765 -47.479 1.00 0.00 C ATOM 934 C GLY A 56 -0.871 -1.739 -48.261 1.00 0.00 C ATOM 935 O GLY A 56 -1.391 -2.704 -48.824 1.00 0.00 O ATOM 0 H GLY A 56 -3.222 -1.229 -48.841 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.289 0.235 -47.562 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.696 -1.032 -46.422 1.00 0.00 H new ATOM 939 N LEU A 57 0.422 -1.492 -48.313 1.00 0.00 N ATOM 940 CA LEU A 57 1.321 -2.344 -49.068 1.00 0.00 C ATOM 941 C LEU A 57 2.154 -3.223 -48.143 1.00 0.00 C ATOM 942 O LEU A 57 2.822 -4.157 -48.592 1.00 0.00 O ATOM 943 CB LEU A 57 2.220 -1.535 -50.035 1.00 0.00 C ATOM 944 CG LEU A 57 2.689 -0.124 -49.608 1.00 0.00 C ATOM 945 CD1 LEU A 57 1.562 0.893 -49.695 1.00 0.00 C ATOM 946 CD2 LEU A 57 3.295 -0.122 -48.214 1.00 0.00 C ATOM 0 H LEU A 57 0.875 -0.709 -47.842 1.00 0.00 H new ATOM 0 HA LEU A 57 0.700 -2.996 -49.683 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.109 -2.132 -50.237 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.683 -1.434 -50.978 1.00 0.00 H new ATOM 0 HG LEU A 57 3.468 0.168 -50.312 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.930 1.872 -49.387 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.200 0.948 -50.722 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.747 0.589 -49.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.610 0.889 -47.956 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.552 -0.466 -47.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.158 -0.788 -48.191 1.00 0.00 H new ATOM 958 N THR A 58 2.082 -2.920 -46.845 1.00 0.00 N ATOM 959 CA THR A 58 2.773 -3.677 -45.810 1.00 0.00 C ATOM 960 C THR A 58 4.289 -3.694 -46.053 1.00 0.00 C ATOM 961 O THR A 58 5.004 -4.605 -45.629 1.00 0.00 O ATOM 962 CB THR A 58 2.212 -5.109 -45.744 1.00 0.00 C ATOM 963 OG1 THR A 58 0.780 -5.070 -45.847 1.00 0.00 O ATOM 964 CG2 THR A 58 2.595 -5.808 -44.445 1.00 0.00 C ATOM 0 H THR A 58 1.538 -2.136 -46.485 1.00 0.00 H new ATOM 0 HA THR A 58 2.601 -3.188 -44.851 1.00 0.00 H new ATOM 0 HB THR A 58 2.641 -5.670 -46.574 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.424 -5.982 -45.807 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.180 -6.816 -44.438 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.681 -5.862 -44.368 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.199 -5.246 -43.599 1.00 0.00 H new ATOM 972 N GLU A 59 4.775 -2.668 -46.735 1.00 0.00 N ATOM 973 CA GLU A 59 6.193 -2.555 -47.026 1.00 0.00 C ATOM 974 C GLU A 59 6.833 -1.552 -46.086 1.00 0.00 C ATOM 975 O GLU A 59 6.258 -0.502 -45.789 1.00 0.00 O ATOM 976 CB GLU A 59 6.424 -2.133 -48.477 1.00 0.00 C ATOM 977 CG GLU A 59 5.801 -3.076 -49.489 1.00 0.00 C ATOM 978 CD GLU A 59 5.980 -2.601 -50.914 1.00 0.00 C ATOM 979 OE1 GLU A 59 5.211 -1.724 -51.349 1.00 0.00 O ATOM 980 OE2 GLU A 59 6.878 -3.113 -51.614 1.00 0.00 O ATOM 0 H GLU A 59 4.207 -1.902 -47.097 1.00 0.00 H new ATOM 0 HA GLU A 59 6.652 -3.533 -46.879 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.016 -1.133 -48.625 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.496 -2.071 -48.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.247 -4.065 -49.381 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.737 -3.181 -49.276 1.00 0.00 H new ATOM 987 N GLN A 60 8.021 -1.878 -45.621 1.00 0.00 N ATOM 988 CA GLN A 60 8.746 -1.024 -44.696 1.00 0.00 C ATOM 989 C GLN A 60 9.861 -0.294 -45.430 1.00 0.00 C ATOM 990 O GLN A 60 11.021 -0.305 -45.016 1.00 0.00 O ATOM 991 CB GLN A 60 9.300 -1.854 -43.538 1.00 0.00 C ATOM 992 CG GLN A 60 10.087 -3.075 -43.985 1.00 0.00 C ATOM 993 CD GLN A 60 10.539 -3.948 -42.833 1.00 0.00 C ATOM 994 OE1 GLN A 60 10.670 -5.163 -42.978 1.00 0.00 O ATOM 995 NE2 GLN A 60 10.784 -3.342 -41.684 1.00 0.00 N ATOM 0 H GLN A 60 8.511 -2.737 -45.870 1.00 0.00 H new ATOM 0 HA GLN A 60 8.065 -0.280 -44.283 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.943 -1.223 -42.925 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.473 -2.177 -42.905 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.472 -3.668 -44.662 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.960 -2.749 -44.550 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.663 -2.332 -41.604 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.094 -3.884 -40.877 1.00 0.00 H new ATOM 1004 N THR A 61 9.496 0.330 -46.531 1.00 0.00 N ATOM 1005 CA THR A 61 10.453 1.050 -47.347 1.00 0.00 C ATOM 1006 C THR A 61 10.603 2.495 -46.869 1.00 0.00 C ATOM 1007 O THR A 61 10.102 3.431 -47.498 1.00 0.00 O ATOM 1008 CB THR A 61 10.038 1.042 -48.828 1.00 0.00 C ATOM 1009 OG1 THR A 61 9.645 -0.283 -49.217 1.00 0.00 O ATOM 1010 CG2 THR A 61 11.189 1.512 -49.708 1.00 0.00 C ATOM 0 H THR A 61 8.539 0.353 -46.883 1.00 0.00 H new ATOM 0 HA THR A 61 11.411 0.540 -47.247 1.00 0.00 H new ATOM 0 HB THR A 61 9.197 1.723 -48.956 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.380 -0.282 -50.161 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.877 1.500 -50.752 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.472 2.526 -49.426 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.043 0.847 -49.577 1.00 0.00 H new ATOM 1018 N TYR A 62 11.291 2.669 -45.750 1.00 0.00 N ATOM 1019 CA TYR A 62 11.544 4.000 -45.217 1.00 0.00 C ATOM 1020 C TYR A 62 12.728 4.634 -45.924 1.00 0.00 C ATOM 1021 O TYR A 62 13.831 4.737 -45.387 1.00 0.00 O ATOM 1022 CB TYR A 62 11.743 3.976 -43.701 1.00 0.00 C ATOM 1023 CG TYR A 62 12.564 2.818 -43.175 1.00 0.00 C ATOM 1024 CD1 TYR A 62 13.944 2.911 -43.055 1.00 0.00 C ATOM 1025 CD2 TYR A 62 11.952 1.637 -42.782 1.00 0.00 C ATOM 1026 CE1 TYR A 62 14.690 1.861 -42.562 1.00 0.00 C ATOM 1027 CE2 TYR A 62 12.690 0.580 -42.290 1.00 0.00 C ATOM 1028 CZ TYR A 62 14.059 0.696 -42.181 1.00 0.00 C ATOM 1029 OH TYR A 62 14.798 -0.354 -41.685 1.00 0.00 O ATOM 0 H TYR A 62 11.683 1.908 -45.195 1.00 0.00 H new ATOM 0 HA TYR A 62 10.663 4.613 -45.408 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.223 4.907 -43.399 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.764 3.953 -43.223 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.442 3.822 -43.353 1.00 0.00 H new ATOM 0 HD2 TYR A 62 10.879 1.543 -42.862 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.763 1.951 -42.475 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.197 -0.334 -41.992 1.00 0.00 H new ATOM 0 HH TYR A 62 14.201 -1.098 -41.463 1.00 0.00 H new ATOM 1039 N SER A 63 12.470 5.054 -47.144 1.00 0.00 N ATOM 1040 CA SER A 63 13.491 5.625 -48.006 1.00 0.00 C ATOM 1041 C SER A 63 12.852 6.190 -49.267 1.00 0.00 C ATOM 1042 O SER A 63 13.258 7.236 -49.772 1.00 0.00 O ATOM 1043 CB SER A 63 14.534 4.558 -48.369 1.00 0.00 C ATOM 1044 OG SER A 63 15.597 5.103 -49.134 1.00 0.00 O ATOM 0 H SER A 63 11.544 5.010 -47.570 1.00 0.00 H new ATOM 0 HA SER A 63 13.991 6.434 -47.474 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.932 4.113 -47.457 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.055 3.757 -48.931 1.00 0.00 H new ATOM 0 HG SER A 63 16.243 4.397 -49.346 1.00 0.00 H new ATOM 1050 N ALA A 64 11.833 5.504 -49.754 1.00 0.00 N ATOM 1051 CA ALA A 64 11.160 5.897 -50.980 1.00 0.00 C ATOM 1052 C ALA A 64 9.694 6.202 -50.714 1.00 0.00 C ATOM 1053 O ALA A 64 8.798 5.480 -51.159 1.00 0.00 O ATOM 1054 CB ALA A 64 11.299 4.812 -52.034 1.00 0.00 C ATOM 0 H ALA A 64 11.451 4.666 -49.316 1.00 0.00 H new ATOM 0 HA ALA A 64 11.633 6.804 -51.356 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.789 5.123 -52.946 1.00 0.00 H new ATOM 0 HB2 ALA A 64 12.355 4.645 -52.248 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.853 3.888 -51.666 1.00 0.00 H new ATOM 1060 N LEU A 65 9.461 7.267 -49.971 1.00 0.00 N ATOM 1061 CA LEU A 65 8.109 7.701 -49.655 1.00 0.00 C ATOM 1062 C LEU A 65 8.070 9.217 -49.466 1.00 0.00 C ATOM 1063 O LEU A 65 8.740 9.759 -48.583 1.00 0.00 O ATOM 1064 CB LEU A 65 7.550 6.984 -48.406 1.00 0.00 C ATOM 1065 CG LEU A 65 8.184 7.343 -47.057 1.00 0.00 C ATOM 1066 CD1 LEU A 65 7.413 6.689 -45.921 1.00 0.00 C ATOM 1067 CD2 LEU A 65 9.641 6.923 -47.007 1.00 0.00 C ATOM 0 H LEU A 65 10.194 7.853 -49.571 1.00 0.00 H new ATOM 0 HA LEU A 65 7.471 7.431 -50.496 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.482 7.193 -48.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.657 5.910 -48.556 1.00 0.00 H new ATOM 0 HG LEU A 65 8.138 8.426 -46.942 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.874 6.952 -44.969 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.381 7.039 -45.933 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.431 5.606 -46.045 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.064 7.191 -46.039 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.714 5.845 -47.149 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.194 7.432 -47.797 1.00 0.00 H new ATOM 1079 N PRO A 66 7.305 9.931 -50.308 1.00 0.00 N ATOM 1080 CA PRO A 66 7.136 11.382 -50.192 1.00 0.00 C ATOM 1081 C PRO A 66 6.205 11.746 -49.038 1.00 0.00 C ATOM 1082 O PRO A 66 5.208 12.449 -49.219 1.00 0.00 O ATOM 1083 CB PRO A 66 6.509 11.796 -51.534 1.00 0.00 C ATOM 1084 CG PRO A 66 6.497 10.567 -52.385 1.00 0.00 C ATOM 1085 CD PRO A 66 6.553 9.396 -51.447 1.00 0.00 C ATOM 0 HA PRO A 66 8.080 11.887 -49.987 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.499 12.180 -51.390 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.088 12.590 -52.005 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.597 10.529 -52.999 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.348 10.559 -53.066 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.557 9.064 -51.154 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.055 8.540 -51.898 1.00 0.00 H new ATOM 1093 N GLU A 67 6.534 11.251 -47.856 1.00 0.00 N ATOM 1094 CA GLU A 67 5.712 11.450 -46.677 1.00 0.00 C ATOM 1095 C GLU A 67 6.397 12.414 -45.715 1.00 0.00 C ATOM 1096 O GLU A 67 7.356 12.040 -45.036 1.00 0.00 O ATOM 1097 CB GLU A 67 5.465 10.106 -45.986 1.00 0.00 C ATOM 1098 CG GLU A 67 4.458 10.173 -44.850 1.00 0.00 C ATOM 1099 CD GLU A 67 3.087 10.608 -45.321 1.00 0.00 C ATOM 1100 OE1 GLU A 67 2.414 9.813 -46.013 1.00 0.00 O ATOM 1101 OE2 GLU A 67 2.674 11.742 -44.998 1.00 0.00 O ATOM 0 H GLU A 67 7.377 10.701 -47.689 1.00 0.00 H new ATOM 0 HA GLU A 67 4.756 11.878 -46.979 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.115 9.387 -46.727 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.411 9.729 -45.598 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.383 9.194 -44.376 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.816 10.868 -44.091 1.00 0.00 H new ATOM 1108 N PRO A 68 5.935 13.673 -45.665 1.00 0.00 N ATOM 1109 CA PRO A 68 6.479 14.679 -44.753 1.00 0.00 C ATOM 1110 C PRO A 68 6.112 14.381 -43.302 1.00 0.00 C ATOM 1111 O PRO A 68 5.097 14.859 -42.796 1.00 0.00 O ATOM 1112 CB PRO A 68 5.827 15.994 -45.211 1.00 0.00 C ATOM 1113 CG PRO A 68 5.178 15.689 -46.521 1.00 0.00 C ATOM 1114 CD PRO A 68 4.857 14.223 -46.493 1.00 0.00 C ATOM 0 HA PRO A 68 7.568 14.708 -44.784 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.094 16.342 -44.483 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.571 16.784 -45.317 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.275 16.284 -46.657 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.844 15.927 -47.351 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.875 14.032 -46.059 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.854 13.790 -47.493 1.00 0.00 H new ATOM 1122 N LYS A 69 6.931 13.574 -42.645 1.00 0.00 N ATOM 1123 CA LYS A 69 6.697 13.213 -41.257 1.00 0.00 C ATOM 1124 C LYS A 69 7.980 13.344 -40.444 1.00 0.00 C ATOM 1125 O LYS A 69 8.154 12.676 -39.421 1.00 0.00 O ATOM 1126 CB LYS A 69 6.147 11.787 -41.158 1.00 0.00 C ATOM 1127 CG LYS A 69 7.036 10.737 -41.804 1.00 0.00 C ATOM 1128 CD LYS A 69 6.531 9.328 -41.530 1.00 0.00 C ATOM 1129 CE LYS A 69 6.509 9.025 -40.039 1.00 0.00 C ATOM 1130 NZ LYS A 69 6.137 7.614 -39.762 1.00 0.00 N ATOM 0 H LYS A 69 7.767 13.156 -43.054 1.00 0.00 H new ATOM 0 HA LYS A 69 5.957 13.899 -40.846 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.008 11.534 -40.107 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.163 11.754 -41.627 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.077 10.906 -42.880 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.053 10.839 -41.426 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.528 9.213 -41.941 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.169 8.606 -42.040 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.491 9.231 -39.613 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.801 9.690 -39.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.134 7.451 -38.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.189 7.423 -40.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.827 6.978 -40.212 1.00 0.00 H new ATOM 1144 N ALA A 70 8.882 14.200 -40.928 1.00 0.00 N ATOM 1145 CA ALA A 70 10.147 14.488 -40.251 1.00 0.00 C ATOM 1146 C ALA A 70 10.971 13.223 -40.031 1.00 0.00 C ATOM 1147 O ALA A 70 11.527 13.006 -38.953 1.00 0.00 O ATOM 1148 CB ALA A 70 9.895 15.203 -38.932 1.00 0.00 C ATOM 0 H ALA A 70 8.756 14.713 -41.801 1.00 0.00 H new ATOM 0 HA ALA A 70 10.726 15.145 -40.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.847 15.409 -38.442 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.373 16.141 -39.121 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.284 14.572 -38.287 1.00 0.00 H new ATOM 1154 N THR A 71 11.043 12.390 -41.055 1.00 0.00 N ATOM 1155 CA THR A 71 11.831 11.172 -40.993 1.00 0.00 C ATOM 1156 C THR A 71 13.009 11.260 -41.957 1.00 0.00 C ATOM 1157 O THR A 71 12.803 11.067 -43.174 1.00 0.00 O ATOM 1158 CB THR A 71 10.977 9.932 -41.320 1.00 0.00 C ATOM 1159 OG1 THR A 71 9.853 9.871 -40.431 1.00 0.00 O ATOM 1160 CG2 THR A 71 11.798 8.656 -41.194 1.00 0.00 C ATOM 1161 OXT THR A 71 14.135 11.539 -41.494 1.00 0.00 O ATOM 0 H THR A 71 10.563 12.536 -41.943 1.00 0.00 H new ATOM 0 HA THR A 71 12.204 11.067 -39.974 1.00 0.00 H new ATOM 0 HB THR A 71 10.628 10.017 -42.349 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.498 8.958 -40.414 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.172 7.796 -41.430 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.638 8.694 -41.887 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.172 8.563 -40.175 1.00 0.00 H new TER 1169 THR A 71