USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 767 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 9 THR OG1 : rot -75:sc= 1.83 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 0.989 K(o=2.8,f=-4.7!) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0453) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 15 GLN : amide:sc= -0.791 K(o=-0.79,f=-3.1!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 44 GLN : amide:sc= 1.19 K(o=1.2,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.457 (180deg=0.0288) USER MOD Single : A 48 GLN : amide:sc= 0.0527 X(o=0.053,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.0386 (180deg=-0.289) USER MOD Single : A 64 GLN : amide:sc= 1.21 K(o=1.2,f=-0.53) USER MOD Single : A 67 GLN : amide:sc= -0.0832 K(o=-0.083,f=-0.65) USER MOD Single : A 70 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.64) USER MOD Single : A 73 GLN : amide:sc= -0.83 X(o=-0.83,f=-0.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 67:sc= 1.27 USER MOD Single : A 89 GLN : amide:sc= 0.648 K(o=0.65,f=-0.44) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 99 GLN : amide:sc= -0.725 K(o=-0.73,f=-6.6!) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0.538 (180deg=0.408) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -3.731 -4.173 -8.866 1.00 0.00 N ATOM 65 CA LYS A 5 -4.088 -3.332 -9.992 1.00 0.00 C ATOM 66 C LYS A 5 -3.840 -4.053 -11.313 1.00 0.00 C ATOM 67 O LYS A 5 -4.608 -3.906 -12.255 1.00 0.00 O ATOM 68 CB LYS A 5 -3.323 -2.016 -9.949 1.00 0.00 C ATOM 69 CG LYS A 5 -3.766 -1.066 -8.851 1.00 0.00 C ATOM 70 CD LYS A 5 -2.997 0.243 -8.932 1.00 0.00 C ATOM 71 CE LYS A 5 -3.549 1.282 -7.974 1.00 0.00 C ATOM 72 NZ LYS A 5 -3.463 0.843 -6.563 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.153 -3.112 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.262 -2.231 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.432 -1.515 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.835 -0.872 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.606 -1.528 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.946 0.062 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.042 0.628 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.999 2.215 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.589 1.489 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.756 1.621 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.089 0.026 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.483 0.573 -6.343 1.00 0.00 H new ATOM 86 N LEU A 6 -2.738 -4.795 -11.384 1.00 0.00 N ATOM 87 CA LEU A 6 -2.449 -5.618 -12.566 1.00 0.00 C ATOM 88 C LEU A 6 -3.663 -6.471 -12.936 1.00 0.00 C ATOM 89 O LEU A 6 -4.116 -6.450 -14.087 1.00 0.00 O ATOM 90 CB LEU A 6 -1.223 -6.514 -12.333 1.00 0.00 C ATOM 91 CG LEU A 6 0.137 -5.809 -12.362 1.00 0.00 C ATOM 92 CD1 LEU A 6 1.250 -6.779 -11.997 1.00 0.00 C ATOM 93 CD2 LEU A 6 0.393 -5.207 -13.737 1.00 0.00 C ATOM 0 H LEU A 6 -2.034 -4.847 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.226 -4.945 -13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.335 -7.006 -11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.221 -7.297 -13.091 1.00 0.00 H new ATOM 0 HG LEU A 6 0.123 -5.006 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.208 -6.260 -12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.077 -7.171 -10.995 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.264 -7.602 -12.711 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.363 -4.710 -13.742 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.387 -5.998 -14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.388 -4.482 -13.968 1.00 0.00 H new ATOM 105 N ARG A 7 -4.183 -7.209 -11.963 1.00 0.00 N ATOM 106 CA ARG A 7 -5.389 -8.014 -12.163 1.00 0.00 C ATOM 107 C ARG A 7 -6.599 -7.134 -12.491 1.00 0.00 C ATOM 108 O ARG A 7 -7.365 -7.438 -13.407 1.00 0.00 O ATOM 109 CB ARG A 7 -5.688 -8.843 -10.915 1.00 0.00 C ATOM 110 CG ARG A 7 -4.588 -9.815 -10.526 1.00 0.00 C ATOM 111 CD ARG A 7 -4.913 -10.490 -9.208 1.00 0.00 C ATOM 112 NE ARG A 7 -3.850 -11.389 -8.758 1.00 0.00 N ATOM 113 CZ ARG A 7 -3.946 -12.168 -7.679 1.00 0.00 C ATOM 114 NH1 ARG A 7 -5.053 -12.146 -6.948 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -2.939 -12.963 -7.331 1.00 0.00 N ATOM 0 H ARG A 7 -3.790 -7.269 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.204 -8.678 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.870 -8.167 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.609 -9.403 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.467 -10.567 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.639 -9.285 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.086 -9.729 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.840 -11.053 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.986 -11.422 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.826 -11.535 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.131 -12.740 -6.122 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.086 -12.980 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.019 -13.556 -6.505 1.00 0.00 H new ATOM 129 N GLN A 8 -6.752 -6.040 -11.744 1.00 0.00 N ATOM 130 CA GLN A 8 -7.889 -5.128 -11.933 1.00 0.00 C ATOM 131 C GLN A 8 -7.914 -4.535 -13.334 1.00 0.00 C ATOM 132 O GLN A 8 -8.956 -4.531 -13.980 1.00 0.00 O ATOM 133 CB GLN A 8 -7.867 -4.006 -10.895 1.00 0.00 C ATOM 134 CG GLN A 8 -8.098 -4.479 -9.473 1.00 0.00 C ATOM 135 CD GLN A 8 -7.902 -3.377 -8.452 1.00 0.00 C ATOM 136 OE1 GLN A 8 -8.146 -2.200 -8.729 1.00 0.00 O ATOM 137 NE2 GLN A 8 -7.456 -3.750 -7.268 1.00 0.00 N ATOM 0 H GLN A 8 -6.107 -5.761 -11.004 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.795 -5.719 -11.800 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.905 -3.496 -10.946 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.631 -3.272 -11.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.110 -4.874 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.415 -5.299 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.267 -4.735 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.300 -3.054 -6.539 1.00 0.00 H new ATOM 146 N THR A 9 -6.771 -4.062 -13.817 1.00 0.00 N ATOM 147 CA THR A 9 -6.685 -3.518 -15.163 1.00 0.00 C ATOM 148 C THR A 9 -6.926 -4.599 -16.208 1.00 0.00 C ATOM 149 O THR A 9 -7.325 -4.311 -17.336 1.00 0.00 O ATOM 150 CB THR A 9 -5.318 -2.847 -15.407 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.258 -3.727 -14.991 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.222 -1.539 -14.639 1.00 0.00 C ATOM 0 H THR A 9 -5.894 -4.045 -13.296 1.00 0.00 H new ATOM 0 HA THR A 9 -7.464 -2.762 -15.257 1.00 0.00 H new ATOM 0 HB THR A 9 -5.221 -2.639 -16.473 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.208 -3.740 -14.012 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.251 -1.079 -14.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.011 -0.864 -14.970 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.335 -1.734 -13.573 1.00 0.00 H new ATOM 160 N GLY A 10 -6.690 -5.843 -15.820 1.00 0.00 N ATOM 161 CA GLY A 10 -6.954 -6.947 -16.702 1.00 0.00 C ATOM 162 C GLY A 10 -8.439 -7.165 -16.818 1.00 0.00 C ATOM 163 O GLY A 10 -8.976 -7.282 -17.916 1.00 0.00 O ATOM 0 H GLY A 10 -6.319 -6.102 -14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.529 -6.748 -17.686 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.473 -7.849 -16.324 1.00 0.00 H new ATOM 167 N ASP A 11 -9.104 -7.209 -15.664 1.00 0.00 N ATOM 168 CA ASP A 11 -10.557 -7.337 -15.610 1.00 0.00 C ATOM 169 C ASP A 11 -11.222 -6.185 -16.342 1.00 0.00 C ATOM 170 O ASP A 11 -12.160 -6.391 -17.107 1.00 0.00 O ATOM 171 CB ASP A 11 -11.062 -7.399 -14.160 1.00 0.00 C ATOM 172 CG ASP A 11 -10.797 -8.736 -13.498 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.327 -9.760 -13.981 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.070 -8.773 -12.481 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.655 -7.157 -14.750 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.823 -8.272 -16.103 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.582 -6.611 -13.580 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.133 -7.198 -14.145 1.00 0.00 H new ATOM 179 N GLU A 12 -10.713 -4.968 -16.122 1.00 0.00 N ATOM 180 CA GLU A 12 -11.245 -3.780 -16.784 1.00 0.00 C ATOM 181 C GLU A 12 -11.095 -3.906 -18.294 1.00 0.00 C ATOM 182 O GLU A 12 -12.025 -3.607 -19.049 1.00 0.00 O ATOM 183 CB GLU A 12 -10.527 -2.513 -16.292 1.00 0.00 C ATOM 184 CG GLU A 12 -10.788 -2.174 -14.831 1.00 0.00 C ATOM 185 CD GLU A 12 -10.001 -0.963 -14.358 1.00 0.00 C ATOM 186 OE1 GLU A 12 -10.429 0.181 -14.640 1.00 0.00 O ATOM 187 OE2 GLU A 12 -8.966 -1.145 -13.690 1.00 0.00 O1- ATOM 0 H GLU A 12 -9.934 -4.784 -15.490 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.303 -3.698 -16.536 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.454 -2.637 -16.438 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.837 -1.670 -16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.853 -1.987 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.531 -3.033 -14.212 1.00 0.00 H new ATOM 194 N LEU A 13 -9.922 -4.359 -18.732 1.00 0.00 N ATOM 195 CA LEU A 13 -9.659 -4.561 -20.149 1.00 0.00 C ATOM 196 C LEU A 13 -10.620 -5.596 -20.735 1.00 0.00 C ATOM 197 O LEU A 13 -11.136 -5.415 -21.836 1.00 0.00 O ATOM 198 CB LEU A 13 -8.204 -4.998 -20.360 1.00 0.00 C ATOM 199 CG LEU A 13 -7.739 -5.123 -21.813 1.00 0.00 C ATOM 200 CD1 LEU A 13 -7.859 -3.789 -22.532 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.305 -5.628 -21.868 1.00 0.00 C ATOM 0 H LEU A 13 -9.139 -4.593 -18.122 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.819 -3.616 -20.669 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.555 -4.284 -19.853 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.061 -5.962 -19.871 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.382 -5.843 -22.318 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.523 -3.900 -23.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.899 -3.463 -22.522 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.241 -3.047 -22.027 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.988 -5.712 -22.908 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.653 -4.929 -21.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.245 -6.606 -21.391 1.00 0.00 H new ATOM 213 N VAL A 14 -10.869 -6.670 -19.989 1.00 0.00 N ATOM 214 CA VAL A 14 -11.819 -7.691 -20.422 1.00 0.00 C ATOM 215 C VAL A 14 -13.226 -7.095 -20.529 1.00 0.00 C ATOM 216 O VAL A 14 -13.942 -7.348 -21.492 1.00 0.00 O ATOM 217 CB VAL A 14 -11.834 -8.918 -19.465 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.938 -9.898 -19.849 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.483 -9.622 -19.482 1.00 0.00 C ATOM 0 H VAL A 14 -10.429 -6.855 -19.087 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.496 -8.040 -21.403 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.032 -8.555 -18.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.926 -10.746 -19.164 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.905 -9.398 -19.791 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.773 -10.251 -20.867 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.510 -10.478 -18.808 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.264 -9.964 -20.493 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.707 -8.929 -19.157 1.00 0.00 H new ATOM 229 N GLN A 15 -13.600 -6.285 -19.540 1.00 0.00 N ATOM 230 CA GLN A 15 -14.904 -5.612 -19.540 1.00 0.00 C ATOM 231 C GLN A 15 -15.063 -4.748 -20.791 1.00 0.00 C ATOM 232 O GLN A 15 -16.123 -4.737 -21.423 1.00 0.00 O ATOM 233 CB GLN A 15 -15.060 -4.744 -18.291 1.00 0.00 C ATOM 234 CG GLN A 15 -15.053 -5.524 -16.989 1.00 0.00 C ATOM 235 CD GLN A 15 -15.004 -4.620 -15.775 1.00 0.00 C ATOM 236 OE1 GLN A 15 -14.453 -3.522 -15.827 1.00 0.00 O ATOM 237 NE2 GLN A 15 -15.573 -5.071 -14.678 1.00 0.00 N ATOM 0 H GLN A 15 -13.020 -6.077 -18.727 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.679 -6.378 -19.538 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.253 -4.012 -18.268 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.994 -4.187 -18.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.945 -6.148 -16.938 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.193 -6.194 -16.975 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.020 -5.988 -14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.567 -4.504 -13.830 1.00 0.00 H new ATOM 246 N ALA A 16 -14.003 -4.032 -21.146 1.00 0.00 N ATOM 247 CA ALA A 16 -14.002 -3.195 -22.340 1.00 0.00 C ATOM 248 C ALA A 16 -14.029 -4.055 -23.597 1.00 0.00 C ATOM 249 O ALA A 16 -14.653 -3.696 -24.592 1.00 0.00 O ATOM 250 CB ALA A 16 -12.795 -2.276 -22.345 1.00 0.00 C ATOM 0 H ALA A 16 -13.129 -4.014 -20.621 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.901 -2.579 -22.329 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.811 -1.659 -23.243 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.822 -1.635 -21.464 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.883 -2.873 -22.331 1.00 0.00 H new ATOM 256 N PHE A 17 -13.347 -5.190 -23.539 1.00 0.00 N ATOM 257 CA PHE A 17 -13.323 -6.132 -24.648 1.00 0.00 C ATOM 258 C PHE A 17 -14.728 -6.681 -24.889 1.00 0.00 C ATOM 259 O PHE A 17 -15.143 -6.887 -26.031 1.00 0.00 O ATOM 260 CB PHE A 17 -12.332 -7.269 -24.376 1.00 0.00 C ATOM 261 CG PHE A 17 -12.163 -8.210 -25.534 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.467 -7.817 -26.664 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.697 -9.486 -25.493 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.306 -8.677 -27.731 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.541 -10.351 -26.556 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.844 -9.945 -27.678 1.00 0.00 C ATOM 0 H PHE A 17 -12.799 -5.482 -22.729 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.990 -5.611 -25.546 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.362 -6.841 -24.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.669 -7.833 -23.507 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.044 -6.824 -26.711 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.242 -9.808 -24.618 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.760 -8.357 -28.606 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.963 -11.344 -26.511 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.721 -10.620 -28.512 1.00 0.00 H new ATOM 276 N GLN A 18 -15.455 -6.919 -23.803 1.00 0.00 N ATOM 277 CA GLN A 18 -16.836 -7.371 -23.889 1.00 0.00 C ATOM 278 C GLN A 18 -17.683 -6.299 -24.560 1.00 0.00 C ATOM 279 O GLN A 18 -18.567 -6.607 -25.365 1.00 0.00 O ATOM 280 CB GLN A 18 -17.387 -7.696 -22.499 1.00 0.00 C ATOM 281 CG GLN A 18 -16.648 -8.825 -21.797 1.00 0.00 C ATOM 282 CD GLN A 18 -17.178 -9.107 -20.405 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.673 -8.212 -19.715 1.00 0.00 O ATOM 284 NE2 GLN A 18 -17.079 -10.348 -19.983 1.00 0.00 N ATOM 0 H GLN A 18 -15.108 -6.806 -22.850 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.873 -8.282 -24.487 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.337 -6.801 -21.880 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.440 -7.963 -22.589 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.724 -9.731 -22.399 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.589 -8.573 -21.732 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.663 -11.059 -20.584 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.418 -10.600 -19.054 1.00 0.00 H new ATOM 293 N ARG A 19 -17.396 -5.026 -24.243 1.00 0.00 N ATOM 294 CA ARG A 19 -18.085 -3.909 -24.884 1.00 0.00 C ATOM 295 C ARG A 19 -17.779 -3.926 -26.364 1.00 0.00 C ATOM 296 O ARG A 19 -18.632 -3.636 -27.189 1.00 0.00 O ATOM 297 CB ARG A 19 -17.608 -2.558 -24.337 1.00 0.00 C ATOM 298 CG ARG A 19 -17.743 -2.344 -22.845 1.00 0.00 C ATOM 299 CD ARG A 19 -17.341 -0.916 -22.505 1.00 0.00 C ATOM 300 NE ARG A 19 -17.080 -0.711 -21.084 1.00 0.00 N ATOM 301 CZ ARG A 19 -16.543 0.408 -20.585 1.00 0.00 C ATOM 302 NH1 ARG A 19 -16.271 1.431 -21.394 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -16.289 0.506 -19.286 1.00 0.00 N ATOM 0 H ARG A 19 -16.697 -4.752 -23.552 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.151 -4.022 -24.685 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.559 -2.433 -24.605 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.163 -1.770 -24.846 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.770 -2.530 -22.530 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -17.112 -3.050 -22.306 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.449 -0.653 -23.073 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.133 -0.238 -22.823 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.320 -1.461 -20.436 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.472 1.360 -22.391 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.862 2.285 -21.016 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.503 -0.274 -18.664 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.879 1.361 -18.910 1.00 0.00 H new ATOM 317 N LEU A 20 -16.545 -4.303 -26.686 1.00 0.00 N ATOM 318 CA LEU A 20 -16.072 -4.317 -28.054 1.00 0.00 C ATOM 319 C LEU A 20 -16.924 -5.242 -28.900 1.00 0.00 C ATOM 320 O LEU A 20 -17.258 -4.915 -30.028 1.00 0.00 O ATOM 321 CB LEU A 20 -14.598 -4.749 -28.103 1.00 0.00 C ATOM 322 CG LEU A 20 -13.950 -4.805 -29.490 1.00 0.00 C ATOM 323 CD1 LEU A 20 -13.876 -3.420 -30.106 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.565 -5.427 -29.406 1.00 0.00 C ATOM 0 H LEU A 20 -15.851 -4.606 -26.003 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.152 -3.309 -28.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.020 -4.063 -27.484 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.516 -5.736 -27.648 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.571 -5.430 -30.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.412 -3.484 -31.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.882 -3.011 -30.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.281 -2.769 -29.466 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.120 -5.459 -30.400 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.937 -4.829 -28.746 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.644 -6.440 -29.011 1.00 0.00 H new ATOM 336 N ARG A 21 -17.297 -6.391 -28.344 1.00 0.00 N ATOM 337 CA ARG A 21 -18.139 -7.320 -29.077 1.00 0.00 C ATOM 338 C ARG A 21 -19.513 -6.741 -29.314 1.00 0.00 C ATOM 339 O ARG A 21 -19.971 -6.691 -30.439 1.00 0.00 O ATOM 340 CB ARG A 21 -18.276 -8.664 -28.354 1.00 0.00 C ATOM 341 CG ARG A 21 -17.068 -9.569 -28.464 1.00 0.00 C ATOM 342 CD ARG A 21 -16.520 -9.632 -29.889 1.00 0.00 C ATOM 343 NE ARG A 21 -17.506 -10.066 -30.911 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.239 -10.977 -31.859 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.084 -11.649 -31.843 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.123 -11.215 -32.807 1.00 0.00 N ATOM 0 H ARG A 21 -17.034 -6.694 -27.406 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.648 -7.491 -30.035 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.476 -8.475 -27.299 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.144 -9.189 -28.754 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.287 -9.213 -27.792 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.337 -10.573 -28.136 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.142 -8.647 -30.163 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.671 -10.316 -29.908 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.437 -9.649 -30.891 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.400 -11.470 -31.108 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.886 -12.341 -32.566 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.007 -10.707 -32.819 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.923 -11.907 -33.529 1.00 0.00 H new ATOM 360 N GLU A 22 -20.131 -6.217 -28.273 1.00 0.00 N ATOM 361 CA GLU A 22 -21.492 -5.727 -28.384 1.00 0.00 C ATOM 362 C GLU A 22 -21.573 -4.521 -29.300 1.00 0.00 C ATOM 363 O GLU A 22 -22.566 -4.323 -29.986 1.00 0.00 O ATOM 364 CB GLU A 22 -22.080 -5.411 -27.009 1.00 0.00 C ATOM 365 CG GLU A 22 -22.085 -6.606 -26.068 1.00 0.00 C ATOM 366 CD GLU A 22 -22.977 -6.405 -24.865 1.00 0.00 C ATOM 367 OE1 GLU A 22 -24.075 -7.004 -24.832 1.00 0.00 O ATOM 368 OE2 GLU A 22 -22.591 -5.659 -23.945 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.716 -6.120 -27.346 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.090 -6.522 -28.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.509 -4.602 -26.554 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.101 -5.050 -27.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.414 -7.490 -26.614 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -21.067 -6.800 -25.730 1.00 0.00 H new ATOM 375 N ILE A 23 -20.516 -3.736 -29.332 1.00 0.00 N ATOM 376 CA ILE A 23 -20.488 -2.536 -30.136 1.00 0.00 C ATOM 377 C ILE A 23 -20.200 -2.895 -31.603 1.00 0.00 C ATOM 378 O ILE A 23 -20.807 -2.356 -32.531 1.00 0.00 O ATOM 379 CB ILE A 23 -19.424 -1.558 -29.597 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.835 -1.073 -28.209 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.232 -0.384 -30.532 1.00 0.00 C ATOM 382 CD1 ILE A 23 -18.790 -0.239 -27.523 1.00 0.00 C ATOM 0 H ILE A 23 -19.660 -3.911 -28.806 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.461 -2.048 -30.081 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.472 -2.084 -29.530 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.752 -0.491 -28.295 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.063 -1.937 -27.585 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.476 0.287 -30.124 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.908 -0.745 -31.508 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.174 0.154 -30.639 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.155 0.068 -26.543 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -17.878 -0.824 -27.404 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.578 0.645 -28.124 1.00 0.00 H new ATOM 394 N PHE A 24 -19.280 -3.846 -31.779 1.00 0.00 N ATOM 395 CA PHE A 24 -18.834 -4.274 -33.104 1.00 0.00 C ATOM 396 C PHE A 24 -19.921 -5.074 -33.802 1.00 0.00 C ATOM 397 O PHE A 24 -20.252 -4.821 -34.966 1.00 0.00 O ATOM 398 CB PHE A 24 -17.544 -5.101 -33.007 1.00 0.00 C ATOM 399 CG PHE A 24 -17.011 -5.565 -34.335 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.352 -4.684 -35.177 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.167 -6.883 -34.740 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.860 -5.106 -36.396 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.677 -7.310 -35.959 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.023 -6.421 -36.788 1.00 0.00 C ATOM 0 H PHE A 24 -18.826 -4.338 -31.010 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.626 -3.381 -33.694 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.779 -4.505 -32.509 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.730 -5.971 -32.378 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.222 -3.655 -34.876 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.677 -7.583 -34.095 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.348 -4.409 -37.043 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.805 -8.338 -36.263 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.639 -6.753 -37.742 1.00 0.00 H new ATOM 414 N ASP A 25 -20.483 -6.035 -33.069 1.00 0.00 N ATOM 415 CA ASP A 25 -21.525 -6.918 -33.592 1.00 0.00 C ATOM 416 C ASP A 25 -22.769 -6.109 -33.980 1.00 0.00 C ATOM 417 O ASP A 25 -23.532 -6.505 -34.864 1.00 0.00 O ATOM 418 CB ASP A 25 -21.914 -7.990 -32.538 1.00 0.00 C ATOM 419 CG ASP A 25 -20.767 -8.939 -32.145 1.00 0.00 C ATOM 420 OD1 ASP A 25 -19.968 -9.328 -33.014 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.677 -9.306 -30.957 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.230 -6.223 -32.099 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.130 -7.416 -34.477 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.276 -7.486 -31.642 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.742 -8.582 -32.928 1.00 0.00 H new ATOM 426 N LYS A 26 -22.963 -4.974 -33.316 1.00 0.00 N ATOM 427 CA LYS A 26 -24.112 -4.108 -33.593 1.00 0.00 C ATOM 428 C LYS A 26 -23.778 -2.988 -34.582 1.00 0.00 C ATOM 429 O LYS A 26 -24.630 -2.155 -34.890 1.00 0.00 O ATOM 430 CB LYS A 26 -24.682 -3.524 -32.297 1.00 0.00 C ATOM 431 CG LYS A 26 -25.293 -4.566 -31.371 1.00 0.00 C ATOM 432 CD LYS A 26 -26.490 -5.250 -32.012 1.00 0.00 C ATOM 433 CE LYS A 26 -27.027 -6.363 -31.131 1.00 0.00 C ATOM 434 NZ LYS A 26 -28.220 -7.006 -31.725 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.343 -4.630 -32.583 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.870 -4.736 -34.061 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.888 -3.000 -31.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.441 -2.783 -32.546 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.541 -5.312 -31.115 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.600 -4.091 -30.440 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.276 -4.517 -32.195 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.203 -5.657 -32.981 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.250 -7.111 -30.976 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -27.281 -5.960 -30.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.558 -7.761 -31.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.971 -6.297 -31.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.971 -7.413 -32.649 1.00 0.00 H new ATOM 448 N GLY A 27 -22.547 -2.973 -35.085 1.00 0.00 N ATOM 449 CA GLY A 27 -22.157 -1.960 -36.060 1.00 0.00 C ATOM 450 C GLY A 27 -22.210 -0.539 -35.514 1.00 0.00 C ATOM 451 O GLY A 27 -22.462 0.406 -36.262 1.00 0.00 O ATOM 0 H GLY A 27 -21.814 -3.638 -34.839 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.145 -2.170 -36.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.812 -2.032 -36.928 1.00 0.00 H new ATOM 455 N ASP A 28 -21.993 -0.397 -34.223 1.00 0.00 N ATOM 456 CA ASP A 28 -22.032 0.910 -33.566 1.00 0.00 C ATOM 457 C ASP A 28 -20.718 1.658 -33.789 1.00 0.00 C ATOM 458 O ASP A 28 -19.703 1.366 -33.159 1.00 0.00 O ATOM 459 CB ASP A 28 -22.320 0.749 -32.076 1.00 0.00 C ATOM 460 CG ASP A 28 -22.686 2.054 -31.389 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.980 3.066 -31.573 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.694 2.064 -30.645 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.785 -1.174 -33.595 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.837 1.498 -34.006 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.135 0.037 -31.946 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.443 0.323 -31.588 1.00 0.00 H new ATOM 467 N ASP A 29 -20.752 2.606 -34.708 1.00 0.00 N ATOM 468 CA ASP A 29 -19.554 3.361 -35.090 1.00 0.00 C ATOM 469 C ASP A 29 -19.164 4.362 -34.015 1.00 0.00 C ATOM 470 O ASP A 29 -17.987 4.493 -33.663 1.00 0.00 O ATOM 471 CB ASP A 29 -19.763 4.106 -36.416 1.00 0.00 C ATOM 472 CG ASP A 29 -19.814 3.193 -37.615 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.749 2.701 -38.042 1.00 0.00 O ATOM 474 OD2 ASP A 29 -20.917 2.975 -38.159 1.00 0.00 O1- ATOM 0 H ASP A 29 -21.597 2.878 -35.211 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.750 2.635 -35.210 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.691 4.675 -36.362 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.956 4.826 -36.551 1.00 0.00 H new ATOM 479 N ASP A 30 -20.163 5.050 -33.484 1.00 0.00 N ATOM 480 CA ASP A 30 -19.946 6.115 -32.503 1.00 0.00 C ATOM 481 C ASP A 30 -19.344 5.610 -31.207 1.00 0.00 C ATOM 482 O ASP A 30 -18.367 6.173 -30.709 1.00 0.00 O ATOM 483 CB ASP A 30 -21.248 6.866 -32.212 1.00 0.00 C ATOM 484 CG ASP A 30 -21.622 7.833 -33.309 1.00 0.00 C ATOM 485 OD1 ASP A 30 -21.359 9.048 -33.151 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.170 7.393 -34.336 1.00 0.00 O1- ATOM 0 H ASP A 30 -21.144 4.891 -33.716 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.225 6.798 -32.953 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.055 6.146 -32.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.146 7.410 -31.273 1.00 0.00 H new ATOM 491 N SER A 31 -19.903 4.550 -30.668 1.00 0.00 N ATOM 492 CA SER A 31 -19.449 4.035 -29.400 1.00 0.00 C ATOM 493 C SER A 31 -18.100 3.335 -29.547 1.00 0.00 C ATOM 494 O SER A 31 -17.273 3.375 -28.637 1.00 0.00 O ATOM 495 CB SER A 31 -20.497 3.084 -28.811 1.00 0.00 C ATOM 496 OG SER A 31 -20.198 2.746 -27.469 1.00 0.00 O ATOM 0 H SER A 31 -20.672 4.029 -31.089 1.00 0.00 H new ATOM 0 HA SER A 31 -19.316 4.872 -28.714 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.481 3.551 -28.859 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.545 2.177 -29.413 1.00 0.00 H new ATOM 0 HG SER A 31 -20.886 2.140 -27.123 1.00 0.00 H new ATOM 502 N LEU A 32 -17.870 2.723 -30.708 1.00 0.00 N ATOM 503 CA LEU A 32 -16.633 1.991 -30.952 1.00 0.00 C ATOM 504 C LEU A 32 -15.418 2.894 -30.837 1.00 0.00 C ATOM 505 O LEU A 32 -14.459 2.552 -30.154 1.00 0.00 O ATOM 506 CB LEU A 32 -16.666 1.348 -32.343 1.00 0.00 C ATOM 507 CG LEU A 32 -15.455 0.492 -32.713 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.353 -0.718 -31.801 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.532 0.059 -34.168 1.00 0.00 C ATOM 0 H LEU A 32 -18.524 2.721 -31.491 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.553 1.215 -30.191 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.560 0.728 -32.414 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.767 2.140 -33.085 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.557 1.096 -32.580 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.484 -1.313 -32.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.247 -0.387 -30.768 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.254 -1.323 -31.898 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.661 -0.549 -34.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.439 -0.525 -34.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.551 0.940 -34.809 1.00 0.00 H new ATOM 521 N GLU A 33 -15.463 4.049 -31.484 1.00 0.00 N ATOM 522 CA GLU A 33 -14.347 4.983 -31.433 1.00 0.00 C ATOM 523 C GLU A 33 -14.044 5.406 -29.993 1.00 0.00 C ATOM 524 O GLU A 33 -12.887 5.403 -29.566 1.00 0.00 O ATOM 525 CB GLU A 33 -14.635 6.204 -32.301 1.00 0.00 C ATOM 526 CG GLU A 33 -13.498 7.207 -32.344 1.00 0.00 C ATOM 527 CD GLU A 33 -13.782 8.356 -33.272 1.00 0.00 C ATOM 528 OE1 GLU A 33 -14.467 9.310 -32.852 1.00 0.00 O ATOM 529 OE2 GLU A 33 -13.320 8.318 -34.429 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.254 4.361 -32.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.465 4.476 -31.825 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.854 5.873 -33.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.531 6.700 -31.928 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.317 7.591 -31.340 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.585 6.704 -32.662 1.00 0.00 H new ATOM 536 N GLN A 34 -15.088 5.745 -29.247 1.00 0.00 N ATOM 537 CA GLN A 34 -14.929 6.153 -27.856 1.00 0.00 C ATOM 538 C GLN A 34 -14.335 5.025 -27.015 1.00 0.00 C ATOM 539 O GLN A 34 -13.401 5.241 -26.235 1.00 0.00 O ATOM 540 CB GLN A 34 -16.272 6.574 -27.262 1.00 0.00 C ATOM 541 CG GLN A 34 -16.214 6.823 -25.763 1.00 0.00 C ATOM 542 CD GLN A 34 -17.577 7.006 -25.145 1.00 0.00 C ATOM 543 OE1 GLN A 34 -18.498 7.524 -25.774 1.00 0.00 O ATOM 544 NE2 GLN A 34 -17.728 6.551 -23.924 1.00 0.00 N ATOM 0 H GLN A 34 -16.052 5.746 -29.580 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.245 7.001 -27.840 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.614 7.481 -27.761 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -17.011 5.799 -27.466 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.711 5.985 -25.280 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.611 7.711 -25.570 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.938 6.128 -23.436 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.635 6.620 -23.462 1.00 0.00 H new ATOM 553 N VAL A 35 -14.864 3.824 -27.190 1.00 0.00 N ATOM 554 CA VAL A 35 -14.421 2.670 -26.429 1.00 0.00 C ATOM 555 C VAL A 35 -12.998 2.259 -26.791 1.00 0.00 C ATOM 556 O VAL A 35 -12.251 1.807 -25.931 1.00 0.00 O ATOM 557 CB VAL A 35 -15.405 1.482 -26.569 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.835 0.207 -25.958 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.721 1.836 -25.899 1.00 0.00 C ATOM 0 H VAL A 35 -15.607 3.624 -27.859 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.412 2.967 -25.380 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.567 1.296 -27.631 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.553 -0.605 -26.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.906 -0.055 -26.464 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.639 0.368 -24.898 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.415 1.001 -25.996 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.548 2.042 -24.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.146 2.719 -26.376 1.00 0.00 H new ATOM 569 N LEU A 36 -12.611 2.430 -28.055 1.00 0.00 N ATOM 570 CA LEU A 36 -11.244 2.106 -28.468 1.00 0.00 C ATOM 571 C LEU A 36 -10.252 2.949 -27.681 1.00 0.00 C ATOM 572 O LEU A 36 -9.172 2.479 -27.315 1.00 0.00 O ATOM 573 CB LEU A 36 -11.046 2.341 -29.971 1.00 0.00 C ATOM 574 CG LEU A 36 -11.818 1.409 -30.908 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.580 1.798 -32.357 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.420 -0.043 -30.674 1.00 0.00 C ATOM 0 H LEU A 36 -13.212 2.784 -28.799 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.071 1.050 -28.263 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.332 3.368 -30.198 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.983 2.249 -30.195 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.881 1.510 -30.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.136 1.126 -33.010 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.917 2.822 -32.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.516 1.726 -32.583 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.981 -0.688 -31.351 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.353 -0.162 -30.861 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.641 -0.319 -29.643 1.00 0.00 H new ATOM 588 N GLU A 37 -10.638 4.189 -27.400 1.00 0.00 N ATOM 589 CA GLU A 37 -9.822 5.078 -26.594 1.00 0.00 C ATOM 590 C GLU A 37 -9.735 4.561 -25.165 1.00 0.00 C ATOM 591 O GLU A 37 -8.680 4.633 -24.532 1.00 0.00 O ATOM 592 CB GLU A 37 -10.398 6.493 -26.601 1.00 0.00 C ATOM 593 CG GLU A 37 -10.115 7.268 -27.873 1.00 0.00 C ATOM 594 CD GLU A 37 -8.633 7.471 -28.098 1.00 0.00 C ATOM 595 OE1 GLU A 37 -7.964 8.052 -27.208 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.126 7.063 -29.157 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.515 4.599 -27.722 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.821 5.108 -27.024 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.477 6.436 -26.455 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.990 7.044 -25.754 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.541 6.736 -28.724 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.610 8.238 -27.824 1.00 0.00 H new ATOM 603 N GLU A 38 -10.849 4.022 -24.673 1.00 0.00 N ATOM 604 CA GLU A 38 -10.918 3.476 -23.323 1.00 0.00 C ATOM 605 C GLU A 38 -10.080 2.205 -23.221 1.00 0.00 C ATOM 606 O GLU A 38 -9.365 1.998 -22.246 1.00 0.00 O ATOM 607 CB GLU A 38 -12.374 3.175 -22.944 1.00 0.00 C ATOM 608 CG GLU A 38 -13.282 4.395 -22.949 1.00 0.00 C ATOM 609 CD GLU A 38 -14.702 4.069 -22.537 1.00 0.00 C ATOM 610 OE1 GLU A 38 -14.923 3.753 -21.345 1.00 0.00 O ATOM 611 OE2 GLU A 38 -15.607 4.132 -23.390 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.722 3.953 -25.196 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.519 4.217 -22.630 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.773 2.435 -23.638 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.394 2.724 -21.952 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.876 5.148 -22.273 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.289 4.833 -23.947 1.00 0.00 H new ATOM 618 N ILE A 39 -10.173 1.364 -24.245 1.00 0.00 N ATOM 619 CA ILE A 39 -9.417 0.118 -24.279 1.00 0.00 C ATOM 620 C ILE A 39 -7.921 0.410 -24.255 1.00 0.00 C ATOM 621 O ILE A 39 -7.185 -0.160 -23.454 1.00 0.00 O ATOM 622 CB ILE A 39 -9.757 -0.732 -25.534 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.236 -1.127 -25.528 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.874 -1.976 -25.595 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.673 -1.894 -26.761 1.00 0.00 C ATOM 0 H ILE A 39 -10.764 1.522 -25.061 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.697 -0.456 -23.395 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.563 -0.128 -26.421 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.436 -1.734 -24.645 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.842 -0.225 -25.439 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.127 -2.559 -26.481 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.827 -1.677 -25.644 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.037 -2.582 -24.704 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.732 -2.137 -26.682 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.507 -1.282 -27.648 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.094 -2.814 -26.841 1.00 0.00 H new ATOM 637 N GLU A 40 -7.486 1.320 -25.122 1.00 0.00 N ATOM 638 CA GLU A 40 -6.083 1.724 -25.178 1.00 0.00 C ATOM 639 C GLU A 40 -5.635 2.300 -23.829 1.00 0.00 C ATOM 640 O GLU A 40 -4.518 2.045 -23.371 1.00 0.00 O ATOM 641 CB GLU A 40 -5.884 2.759 -26.290 1.00 0.00 C ATOM 642 CG GLU A 40 -4.566 2.629 -27.047 1.00 0.00 C ATOM 643 CD GLU A 40 -3.346 2.789 -26.165 1.00 0.00 C ATOM 644 OE1 GLU A 40 -2.615 1.795 -25.964 1.00 0.00 O ATOM 645 OE2 GLU A 40 -3.101 3.910 -25.685 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.086 1.793 -25.797 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.474 0.847 -25.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.706 2.673 -27.000 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.942 3.757 -25.855 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.529 1.653 -27.532 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.534 3.379 -27.837 1.00 0.00 H new ATOM 652 N GLU A 41 -6.528 3.038 -23.182 1.00 0.00 N ATOM 653 CA GLU A 41 -6.240 3.655 -21.904 1.00 0.00 C ATOM 654 C GLU A 41 -6.012 2.569 -20.849 1.00 0.00 C ATOM 655 O GLU A 41 -5.119 2.676 -20.005 1.00 0.00 O ATOM 656 CB GLU A 41 -7.414 4.552 -21.515 1.00 0.00 C ATOM 657 CG GLU A 41 -7.036 5.796 -20.739 1.00 0.00 C ATOM 658 CD GLU A 41 -6.630 5.516 -19.313 1.00 0.00 C ATOM 659 OE1 GLU A 41 -7.511 5.211 -18.494 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.432 5.642 -18.991 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.468 3.222 -23.531 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.336 4.260 -21.971 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.939 4.853 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.116 3.969 -20.919 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.215 6.298 -21.250 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.880 6.485 -20.739 1.00 0.00 H new ATOM 667 N LEU A 42 -6.806 1.508 -20.929 1.00 0.00 N ATOM 668 CA LEU A 42 -6.680 0.378 -20.025 1.00 0.00 C ATOM 669 C LEU A 42 -5.392 -0.375 -20.309 1.00 0.00 C ATOM 670 O LEU A 42 -4.743 -0.888 -19.397 1.00 0.00 O ATOM 671 CB LEU A 42 -7.885 -0.551 -20.159 1.00 0.00 C ATOM 672 CG LEU A 42 -9.235 0.070 -19.799 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.362 -0.897 -20.088 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.257 0.491 -18.340 1.00 0.00 C ATOM 0 H LEU A 42 -7.550 1.409 -21.619 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.649 0.750 -19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.932 -0.911 -21.187 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.724 -1.422 -19.523 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.378 0.957 -20.416 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.314 -0.436 -19.825 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.362 -1.149 -21.148 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.223 -1.804 -19.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.226 0.931 -18.103 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.089 -0.381 -17.707 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.472 1.225 -18.161 1.00 0.00 H new ATOM 686 N ILE A 43 -5.025 -0.441 -21.585 1.00 0.00 N ATOM 687 CA ILE A 43 -3.793 -1.090 -21.988 1.00 0.00 C ATOM 688 C ILE A 43 -2.607 -0.344 -21.371 1.00 0.00 C ATOM 689 O ILE A 43 -1.649 -0.960 -20.893 1.00 0.00 O ATOM 690 CB ILE A 43 -3.643 -1.139 -23.538 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.786 -1.947 -24.161 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.300 -1.744 -23.931 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.743 -2.003 -25.676 1.00 0.00 C ATOM 0 H ILE A 43 -5.568 -0.051 -22.355 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.817 -2.119 -21.630 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.687 -0.118 -23.916 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.756 -2.963 -23.768 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.736 -1.513 -23.850 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.216 -1.769 -25.017 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.493 -1.138 -23.518 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.229 -2.758 -23.538 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.584 -2.592 -26.042 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.805 -0.992 -26.079 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.809 -2.465 -25.997 1.00 0.00 H new ATOM 705 N GLN A 44 -2.680 0.991 -21.388 1.00 0.00 N ATOM 706 CA GLN A 44 -1.658 1.829 -20.756 1.00 0.00 C ATOM 707 C GLN A 44 -1.611 1.566 -19.254 1.00 0.00 C ATOM 708 O GLN A 44 -0.544 1.394 -18.682 1.00 0.00 O ATOM 709 CB GLN A 44 -1.953 3.313 -20.982 1.00 0.00 C ATOM 710 CG GLN A 44 -1.980 3.747 -22.433 1.00 0.00 C ATOM 711 CD GLN A 44 -2.269 5.229 -22.579 1.00 0.00 C ATOM 712 OE1 GLN A 44 -1.911 6.033 -21.714 1.00 0.00 O ATOM 713 NE2 GLN A 44 -2.912 5.600 -23.664 1.00 0.00 N ATOM 0 H GLN A 44 -3.435 1.513 -21.832 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.699 1.577 -21.208 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.916 3.549 -20.530 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.201 3.902 -20.456 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.021 3.517 -22.898 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.738 3.176 -22.968 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.190 4.903 -24.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.132 6.584 -23.815 1.00 0.00 H new ATOM 722 N LYS A 45 -2.786 1.509 -18.638 1.00 0.00 N ATOM 723 CA LYS A 45 -2.902 1.270 -17.198 1.00 0.00 C ATOM 724 C LYS A 45 -2.321 -0.074 -16.798 1.00 0.00 C ATOM 725 O LYS A 45 -1.683 -0.196 -15.759 1.00 0.00 O ATOM 726 CB LYS A 45 -4.359 1.341 -16.751 1.00 0.00 C ATOM 727 CG LYS A 45 -4.841 2.733 -16.417 1.00 0.00 C ATOM 728 CD LYS A 45 -6.292 2.716 -15.968 1.00 0.00 C ATOM 729 CE LYS A 45 -6.683 4.028 -15.316 1.00 0.00 C ATOM 730 NZ LYS A 45 -6.341 5.187 -16.166 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.680 1.626 -19.115 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.330 2.054 -16.702 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.989 0.931 -17.540 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.490 0.704 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.218 3.158 -15.630 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.735 3.377 -17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.938 2.527 -16.825 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.448 1.898 -15.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.754 4.029 -15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.178 4.121 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.497 6.066 -15.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.342 5.127 -16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.942 5.185 -17.015 1.00 0.00 H new ATOM 744 N HIS A 46 -2.510 -1.067 -17.636 1.00 0.00 N ATOM 745 CA HIS A 46 -2.057 -2.408 -17.336 1.00 0.00 C ATOM 746 C HIS A 46 -0.541 -2.494 -17.551 1.00 0.00 C ATOM 747 O HIS A 46 0.173 -3.115 -16.768 1.00 0.00 O ATOM 748 CB HIS A 46 -2.823 -3.394 -18.226 1.00 0.00 C ATOM 749 CG HIS A 46 -2.611 -4.857 -17.945 1.00 0.00 C ATOM 750 ND1 HIS A 46 -2.933 -5.471 -16.745 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.194 -5.837 -18.760 1.00 0.00 C ATOM 752 CE1 HIS A 46 -2.719 -6.773 -16.854 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.270 -7.021 -18.074 1.00 0.00 N ATOM 0 H HIS A 46 -2.978 -0.971 -18.537 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.254 -2.663 -16.295 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.888 -3.180 -18.134 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.547 -3.202 -19.263 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.279 -4.996 -15.911 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.857 -5.715 -19.779 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.883 -7.507 -16.079 1.00 0.00 H new ATOM 761 N ARG A 47 -0.063 -1.855 -18.625 1.00 0.00 N ATOM 762 CA ARG A 47 1.374 -1.789 -18.926 1.00 0.00 C ATOM 763 C ARG A 47 2.135 -0.977 -17.889 1.00 0.00 C ATOM 764 O ARG A 47 3.184 -1.393 -17.427 1.00 0.00 O ATOM 765 CB ARG A 47 1.614 -1.158 -20.298 1.00 0.00 C ATOM 766 CG ARG A 47 1.464 -2.102 -21.469 1.00 0.00 C ATOM 767 CD ARG A 47 1.645 -1.364 -22.789 1.00 0.00 C ATOM 768 NE ARG A 47 0.567 -0.394 -23.027 1.00 0.00 N ATOM 769 CZ ARG A 47 0.622 0.608 -23.924 1.00 0.00 C ATOM 770 NH1 ARG A 47 1.743 0.850 -24.595 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 -0.444 1.375 -24.132 1.00 0.00 N ATOM 0 H ARG A 47 -0.653 -1.374 -19.304 1.00 0.00 H new ATOM 0 HA ARG A 47 1.739 -2.816 -18.914 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.918 -0.329 -20.427 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.619 -0.736 -20.317 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.199 -2.903 -21.392 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.480 -2.569 -21.441 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.605 -0.847 -22.787 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.672 -2.084 -23.607 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.284 -0.487 -22.473 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.569 0.275 -24.432 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.777 1.611 -25.273 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.304 1.204 -23.612 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.401 2.134 -24.812 1.00 0.00 H new ATOM 785 N GLN A 48 1.579 0.167 -17.509 1.00 0.00 N ATOM 786 CA GLN A 48 2.256 1.095 -16.608 1.00 0.00 C ATOM 787 C GLN A 48 2.598 0.438 -15.284 1.00 0.00 C ATOM 788 O GLN A 48 3.685 0.637 -14.750 1.00 0.00 O ATOM 789 CB GLN A 48 1.391 2.336 -16.372 1.00 0.00 C ATOM 790 CG GLN A 48 2.086 3.439 -15.585 1.00 0.00 C ATOM 791 CD GLN A 48 3.367 3.904 -16.249 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.350 4.792 -17.099 1.00 0.00 O ATOM 793 NE2 GLN A 48 4.485 3.316 -15.861 1.00 0.00 N ATOM 0 H GLN A 48 0.656 0.477 -17.812 1.00 0.00 H new ATOM 0 HA GLN A 48 3.189 1.395 -17.084 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.077 2.735 -17.336 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.487 2.040 -15.840 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.408 4.286 -15.476 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.310 3.079 -14.581 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.456 2.583 -15.152 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.377 3.595 -16.270 1.00 0.00 H new ATOM 802 N LEU A 49 1.688 -0.358 -14.774 1.00 0.00 N ATOM 803 CA LEU A 49 1.889 -1.040 -13.510 1.00 0.00 C ATOM 804 C LEU A 49 2.989 -2.085 -13.643 1.00 0.00 C ATOM 805 O LEU A 49 3.805 -2.268 -12.739 1.00 0.00 O ATOM 806 CB LEU A 49 0.591 -1.704 -13.099 1.00 0.00 C ATOM 807 CG LEU A 49 -0.571 -0.754 -12.858 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.876 -1.514 -12.856 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.385 0.001 -11.550 1.00 0.00 C ATOM 0 H LEU A 49 0.791 -0.553 -15.218 1.00 0.00 H new ATOM 0 HA LEU A 49 2.191 -0.318 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.304 -2.416 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.766 -2.277 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.597 -0.025 -13.668 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.700 -0.822 -12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.012 -2.006 -13.819 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.859 -2.264 -12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.227 0.676 -11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.333 -0.709 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.539 0.578 -11.591 1.00 0.00 H new ATOM 821 N PHE A 50 3.013 -2.738 -14.794 1.00 0.00 N ATOM 822 CA PHE A 50 3.990 -3.775 -15.089 1.00 0.00 C ATOM 823 C PHE A 50 5.360 -3.151 -15.355 1.00 0.00 C ATOM 824 O PHE A 50 6.401 -3.760 -15.106 1.00 0.00 O ATOM 825 CB PHE A 50 3.523 -4.599 -16.297 1.00 0.00 C ATOM 826 CG PHE A 50 4.455 -5.711 -16.681 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.667 -6.780 -15.828 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.114 -5.689 -17.899 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.521 -7.803 -16.180 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.970 -6.711 -18.257 1.00 0.00 C ATOM 831 CZ PHE A 50 6.173 -7.769 -17.396 1.00 0.00 C ATOM 0 H PHE A 50 2.354 -2.564 -15.552 1.00 0.00 H new ATOM 0 HA PHE A 50 4.080 -4.438 -14.228 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.543 -5.021 -16.077 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.399 -3.933 -17.151 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.158 -6.813 -14.876 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.956 -4.863 -18.576 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.680 -8.631 -15.505 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.479 -6.682 -19.209 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.842 -8.570 -17.673 1.00 0.00 H new ATOM 841 N ASP A 51 5.349 -1.935 -15.867 1.00 0.00 N ATOM 842 CA ASP A 51 6.578 -1.212 -16.139 1.00 0.00 C ATOM 843 C ASP A 51 7.166 -0.657 -14.855 1.00 0.00 C ATOM 844 O ASP A 51 8.382 -0.517 -14.730 1.00 0.00 O ATOM 845 CB ASP A 51 6.355 -0.094 -17.164 1.00 0.00 C ATOM 846 CG ASP A 51 6.402 -0.597 -18.593 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.498 -1.001 -19.051 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.359 -0.583 -19.272 1.00 0.00 O1- ATOM 0 H ASP A 51 4.498 -1.425 -16.104 1.00 0.00 H new ATOM 0 HA ASP A 51 7.291 -1.916 -16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.389 0.376 -16.980 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.115 0.676 -17.028 1.00 0.00 H new ATOM 969 N GLU A 60 5.501 -16.844 -22.189 1.00 0.00 N ATOM 970 CA GLU A 60 4.376 -17.093 -23.078 1.00 0.00 C ATOM 971 C GLU A 60 3.264 -16.079 -22.834 1.00 0.00 C ATOM 972 O GLU A 60 2.736 -15.492 -23.773 1.00 0.00 O ATOM 973 CB GLU A 60 3.842 -18.515 -22.875 1.00 0.00 C ATOM 974 CG GLU A 60 2.776 -18.932 -23.879 1.00 0.00 C ATOM 975 CD GLU A 60 3.326 -19.093 -25.280 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.677 -20.231 -25.657 1.00 0.00 O ATOM 977 OE2 GLU A 60 3.411 -18.089 -26.013 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.723 -16.989 -24.106 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.675 -19.216 -22.935 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.429 -18.596 -21.869 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.328 -19.873 -23.558 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.980 -18.187 -23.889 1.00 0.00 H new ATOM 984 N ALA A 61 2.935 -15.859 -21.567 1.00 0.00 N ATOM 985 CA ALA A 61 1.892 -14.911 -21.205 1.00 0.00 C ATOM 986 C ALA A 61 2.241 -13.503 -21.665 1.00 0.00 C ATOM 987 O ALA A 61 1.405 -12.809 -22.244 1.00 0.00 O ATOM 988 CB ALA A 61 1.652 -14.935 -19.702 1.00 0.00 C ATOM 0 H ALA A 61 3.376 -16.325 -20.774 1.00 0.00 H new ATOM 0 HA ALA A 61 0.975 -15.211 -21.712 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.869 -14.221 -19.447 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.343 -15.935 -19.399 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.572 -14.666 -19.182 1.00 0.00 H new ATOM 994 N ALA A 62 3.476 -13.082 -21.414 1.00 0.00 N ATOM 995 CA ALA A 62 3.925 -11.764 -21.839 1.00 0.00 C ATOM 996 C ALA A 62 3.924 -11.639 -23.359 1.00 0.00 C ATOM 997 O ALA A 62 3.494 -10.621 -23.902 1.00 0.00 O ATOM 998 CB ALA A 62 5.309 -11.472 -21.281 1.00 0.00 C ATOM 0 H ALA A 62 4.180 -13.632 -20.921 1.00 0.00 H new ATOM 0 HA ALA A 62 3.224 -11.028 -21.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.632 -10.483 -21.607 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.276 -11.502 -20.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.013 -12.221 -21.643 1.00 0.00 H new ATOM 1004 N LYS A 63 4.382 -12.685 -24.042 1.00 0.00 N ATOM 1005 CA LYS A 63 4.420 -12.673 -25.497 1.00 0.00 C ATOM 1006 C LYS A 63 3.020 -12.565 -26.083 1.00 0.00 C ATOM 1007 O LYS A 63 2.788 -11.772 -26.999 1.00 0.00 O ATOM 1008 CB LYS A 63 5.131 -13.909 -26.052 1.00 0.00 C ATOM 1009 CG LYS A 63 5.144 -13.959 -27.572 1.00 0.00 C ATOM 1010 CD LYS A 63 5.959 -15.122 -28.098 1.00 0.00 C ATOM 1011 CE LYS A 63 5.898 -15.189 -29.617 1.00 0.00 C ATOM 1012 NZ LYS A 63 6.364 -13.927 -30.249 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.729 -13.543 -23.614 1.00 0.00 H new ATOM 0 HA LYS A 63 4.989 -11.792 -25.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.157 -13.925 -25.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.641 -14.805 -25.669 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.121 -14.038 -27.940 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.552 -13.026 -27.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.995 -15.019 -27.776 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.585 -16.054 -27.674 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.512 -16.019 -29.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.874 -15.395 -29.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.948 -14.150 -31.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.542 -13.363 -30.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.929 -13.384 -29.565 1.00 0.00 H new ATOM 1026 N GLN A 64 2.079 -13.344 -25.552 1.00 0.00 N ATOM 1027 CA GLN A 64 0.703 -13.289 -26.022 1.00 0.00 C ATOM 1028 C GLN A 64 0.099 -11.926 -25.708 1.00 0.00 C ATOM 1029 O GLN A 64 -0.720 -11.409 -26.466 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.135 -14.394 -25.366 1.00 0.00 C ATOM 1031 CG GLN A 64 0.382 -15.805 -25.613 1.00 0.00 C ATOM 1032 CD GLN A 64 0.341 -16.206 -27.072 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.534 -15.778 -27.825 1.00 0.00 O ATOM 1034 NE2 GLN A 64 1.290 -17.028 -27.480 1.00 0.00 N ATOM 0 H GLN A 64 2.246 -14.015 -24.802 1.00 0.00 H new ATOM 0 HA GLN A 64 0.700 -13.443 -27.101 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.171 -14.216 -24.291 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.158 -14.325 -25.735 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.408 -15.878 -25.251 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.212 -16.510 -25.032 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.996 -17.359 -26.822 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.317 -17.333 -28.453 1.00 0.00 H new ATOM 1043 N GLY A 65 0.527 -11.345 -24.590 1.00 0.00 N ATOM 1044 CA GLY A 65 0.033 -10.043 -24.197 1.00 0.00 C ATOM 1045 C GLY A 65 0.465 -8.971 -25.170 1.00 0.00 C ATOM 1046 O GLY A 65 -0.355 -8.178 -25.635 1.00 0.00 O ATOM 0 H GLY A 65 1.208 -11.756 -23.951 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.055 -10.067 -24.140 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.399 -9.800 -23.200 1.00 0.00 H new ATOM 1050 N ASP A 66 1.754 -8.952 -25.489 1.00 0.00 N ATOM 1051 CA ASP A 66 2.284 -8.011 -26.475 1.00 0.00 C ATOM 1052 C ASP A 66 1.660 -8.249 -27.834 1.00 0.00 C ATOM 1053 O ASP A 66 1.345 -7.304 -28.557 1.00 0.00 O ATOM 1054 CB ASP A 66 3.810 -8.102 -26.576 1.00 0.00 C ATOM 1055 CG ASP A 66 4.512 -7.395 -25.441 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.552 -6.141 -25.451 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.030 -8.074 -24.543 1.00 0.00 O1- ATOM 0 H ASP A 66 2.452 -9.575 -25.082 1.00 0.00 H new ATOM 0 HA ASP A 66 2.025 -7.007 -26.138 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.108 -9.151 -26.585 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.134 -7.671 -27.523 1.00 0.00 H new ATOM 1062 N GLN A 67 1.463 -9.516 -28.171 1.00 0.00 N ATOM 1063 CA GLN A 67 0.855 -9.888 -29.433 1.00 0.00 C ATOM 1064 C GLN A 67 -0.571 -9.345 -29.516 1.00 0.00 C ATOM 1065 O GLN A 67 -0.987 -8.827 -30.551 1.00 0.00 O ATOM 1066 CB GLN A 67 0.859 -11.411 -29.585 1.00 0.00 C ATOM 1067 CG GLN A 67 0.271 -11.912 -30.891 1.00 0.00 C ATOM 1068 CD GLN A 67 1.006 -11.388 -32.113 1.00 0.00 C ATOM 1069 OE1 GLN A 67 2.212 -11.120 -32.070 1.00 0.00 O ATOM 1070 NE2 GLN A 67 0.289 -11.242 -33.207 1.00 0.00 N ATOM 0 H GLN A 67 1.719 -10.307 -27.580 1.00 0.00 H new ATOM 0 HA GLN A 67 1.435 -9.453 -30.247 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.885 -11.770 -29.501 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.300 -11.848 -28.758 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.295 -13.002 -30.899 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.776 -11.615 -30.949 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.704 -11.475 -33.201 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.726 -10.896 -34.061 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.304 -9.451 -28.411 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.674 -8.958 -28.338 1.00 0.00 C ATOM 1081 C TRP A 68 -2.696 -7.442 -28.555 1.00 0.00 C ATOM 1082 O TRP A 68 -3.569 -6.912 -29.243 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.291 -9.312 -26.974 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.768 -9.056 -26.886 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.761 -9.939 -27.186 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.421 -7.847 -26.470 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.987 -9.362 -26.991 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.809 -8.076 -26.551 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.969 -6.596 -26.040 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.746 -7.102 -26.218 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.901 -5.631 -25.711 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.275 -5.889 -25.801 1.00 0.00 C ATOM 0 H TRP A 68 -0.967 -9.878 -27.548 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.265 -9.433 -29.121 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.102 -10.365 -26.764 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.786 -8.736 -26.198 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.603 -10.951 -27.529 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.887 -9.816 -27.148 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.912 -6.388 -25.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.806 -7.298 -26.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.564 -4.660 -25.378 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.977 -5.113 -25.535 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.710 -6.758 -27.983 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.604 -5.309 -28.107 1.00 0.00 C ATOM 1105 C VAL A 69 -1.304 -4.919 -29.554 1.00 0.00 C ATOM 1106 O VAL A 69 -1.879 -3.968 -30.088 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.507 -4.734 -27.177 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.371 -3.231 -27.359 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.815 -5.061 -25.727 1.00 0.00 C ATOM 0 H VAL A 69 -0.970 -7.187 -27.427 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.562 -4.886 -27.806 1.00 0.00 H new ATOM 0 HB VAL A 69 0.441 -5.198 -27.448 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.406 -2.853 -26.694 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.102 -3.012 -28.393 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.319 -2.748 -27.121 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.034 -4.650 -25.087 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.776 -4.626 -25.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.856 -6.143 -25.599 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.416 -5.672 -30.188 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.057 -5.422 -31.576 1.00 0.00 C ATOM 1121 C GLN A 70 -1.246 -5.721 -32.485 1.00 0.00 C ATOM 1122 O GLN A 70 -1.497 -5.007 -33.458 1.00 0.00 O ATOM 1123 CB GLN A 70 1.149 -6.272 -31.979 1.00 0.00 C ATOM 1124 CG GLN A 70 2.414 -5.966 -31.187 1.00 0.00 C ATOM 1125 CD GLN A 70 2.907 -4.543 -31.383 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.715 -3.944 -32.441 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.539 -3.993 -30.367 1.00 0.00 N ATOM 0 H GLN A 70 0.069 -6.462 -29.762 1.00 0.00 H new ATOM 0 HA GLN A 70 0.213 -4.371 -31.684 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.898 -7.325 -31.851 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.350 -6.119 -33.039 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.223 -6.136 -30.127 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.199 -6.661 -31.484 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.679 -4.522 -29.506 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.889 -3.038 -30.441 1.00 0.00 H new ATOM 1136 N LEU A 71 -1.977 -6.778 -32.150 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.165 -7.170 -32.878 1.00 0.00 C ATOM 1138 C LEU A 71 -4.207 -6.047 -32.798 1.00 0.00 C ATOM 1139 O LEU A 71 -4.876 -5.730 -33.783 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.719 -8.453 -32.255 1.00 0.00 C ATOM 1141 CG LEU A 71 -4.381 -9.461 -33.196 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -5.550 -8.849 -33.945 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.368 -10.046 -34.162 1.00 0.00 C ATOM 0 H LEU A 71 -1.756 -7.386 -31.361 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.925 -7.349 -33.926 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.902 -8.958 -31.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.448 -8.171 -31.495 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.775 -10.270 -32.580 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.993 -9.597 -34.603 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.299 -8.504 -33.232 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.200 -8.005 -34.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.863 -10.760 -34.820 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.930 -9.246 -34.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.582 -10.553 -33.602 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.311 -5.440 -31.619 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.240 -4.337 -31.395 1.00 0.00 C ATOM 1157 C PHE A 72 -4.889 -3.160 -32.302 1.00 0.00 C ATOM 1158 O PHE A 72 -5.772 -2.511 -32.867 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.220 -3.896 -29.922 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.141 -2.740 -29.623 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.493 -2.952 -29.409 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.653 -1.441 -29.561 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.341 -1.895 -29.140 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.496 -0.379 -29.292 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.842 -0.607 -29.082 1.00 0.00 C ATOM 0 H PHE A 72 -3.760 -5.696 -30.800 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.246 -4.682 -31.636 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.499 -4.743 -29.295 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.202 -3.618 -29.649 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.889 -3.956 -29.453 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.601 -1.258 -29.725 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.393 -2.075 -28.975 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.103 0.626 -29.246 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.504 0.220 -28.873 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.595 -2.901 -32.443 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.113 -1.824 -33.300 1.00 0.00 C ATOM 1177 C GLN A 73 -3.509 -2.083 -34.745 1.00 0.00 C ATOM 1178 O GLN A 73 -3.928 -1.170 -35.457 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.597 -1.687 -33.190 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.112 -1.328 -31.798 1.00 0.00 C ATOM 1181 CD GLN A 73 0.398 -1.293 -31.702 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.093 -0.988 -32.676 1.00 0.00 O ATOM 1183 NE2 GLN A 73 0.917 -1.603 -30.530 1.00 0.00 N ATOM 0 H GLN A 73 -2.857 -3.425 -31.973 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.571 -0.892 -32.969 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.134 -2.626 -33.495 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.259 -0.923 -33.890 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.513 -0.354 -31.517 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.502 -2.052 -31.083 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.306 -1.849 -29.751 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.929 -1.596 -30.403 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.393 -3.339 -35.164 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.763 -3.732 -36.516 1.00 0.00 C ATOM 1194 C ARG A 74 -5.258 -3.556 -36.716 1.00 0.00 C ATOM 1195 O ARG A 74 -5.706 -3.089 -37.760 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.374 -5.190 -36.783 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.887 -5.470 -36.668 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.582 -6.930 -36.955 1.00 0.00 C ATOM 1199 NE ARG A 74 -0.161 -7.238 -36.794 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.415 -8.368 -37.207 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.296 -9.292 -37.835 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.706 -8.560 -37.006 1.00 0.00 N ATOM 0 H ARG A 74 -3.045 -4.102 -34.584 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.226 -3.094 -37.218 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.908 -5.831 -36.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.708 -5.466 -37.783 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.339 -4.837 -37.366 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.542 -5.213 -35.667 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.167 -7.560 -36.285 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.892 -7.171 -37.972 1.00 0.00 H new ATOM 0 HE ARG A 74 0.428 -6.543 -36.336 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.290 -9.142 -38.006 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.151 -10.154 -38.148 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.261 -7.845 -36.536 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.148 -9.423 -37.321 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.016 -3.936 -35.699 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.466 -3.806 -35.724 1.00 0.00 C ATOM 1218 C PHE A 75 -7.868 -2.341 -35.860 1.00 0.00 C ATOM 1219 O PHE A 75 -8.694 -1.988 -36.703 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.081 -4.415 -34.457 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.572 -4.247 -34.369 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.412 -4.964 -35.202 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.131 -3.371 -33.451 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.780 -4.812 -35.124 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.500 -3.215 -33.368 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.326 -3.935 -34.206 1.00 0.00 C ATOM 0 H PHE A 75 -5.647 -4.341 -34.838 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.846 -4.350 -36.589 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.841 -5.478 -34.422 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.620 -3.955 -33.583 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.991 -5.651 -35.922 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.488 -2.804 -32.794 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.425 -5.378 -35.780 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.924 -2.530 -32.648 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.397 -3.814 -34.145 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.267 -1.496 -35.035 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.533 -0.065 -35.061 1.00 0.00 C ATOM 1238 C ARG A 76 -7.187 0.529 -36.428 1.00 0.00 C ATOM 1239 O ARG A 76 -7.933 1.346 -36.967 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.721 0.630 -33.964 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.071 2.095 -33.749 1.00 0.00 C ATOM 1242 CD ARG A 76 -5.852 2.988 -33.930 1.00 0.00 C ATOM 1243 NE ARG A 76 -5.487 3.142 -35.342 1.00 0.00 N ATOM 1244 CZ ARG A 76 -4.249 3.013 -35.834 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -3.237 2.654 -35.046 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -4.033 3.236 -37.122 1.00 0.00 N ATOM 0 H ARG A 76 -6.585 -1.781 -34.332 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.596 0.095 -34.881 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.868 0.094 -33.027 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.662 0.556 -34.212 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.849 2.392 -34.452 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.478 2.230 -32.747 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.054 3.969 -33.499 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.009 2.566 -33.382 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.234 3.365 -36.000 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.401 2.474 -34.055 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.298 2.559 -35.433 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.807 3.504 -37.730 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.093 3.140 -37.506 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.065 0.092 -36.990 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.605 0.584 -38.271 1.00 0.00 C ATOM 1262 C GLU A 77 -6.500 0.088 -39.399 1.00 0.00 C ATOM 1263 O GLU A 77 -6.713 0.787 -40.393 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.159 0.164 -38.514 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.567 0.753 -39.774 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.110 0.419 -39.943 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -1.802 -0.633 -40.521 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.258 1.213 -39.495 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.456 -0.609 -36.568 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.654 1.673 -38.254 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.552 0.466 -37.660 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.109 -0.923 -38.572 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.122 0.386 -40.637 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.687 1.836 -39.755 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.033 -1.113 -39.239 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.894 -1.699 -40.245 1.00 0.00 C ATOM 1277 C ALA A 78 -9.166 -0.878 -40.397 1.00 0.00 C ATOM 1278 O ALA A 78 -9.713 -0.762 -41.496 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.219 -3.142 -39.899 1.00 0.00 C ATOM 0 H ALA A 78 -6.882 -1.700 -38.418 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.366 -1.692 -41.199 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.867 -3.563 -40.668 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.296 -3.720 -39.845 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.727 -3.180 -38.935 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.627 -0.284 -39.291 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.807 0.568 -39.313 1.00 0.00 C ATOM 1287 C ILE A 79 -10.501 1.836 -40.100 1.00 0.00 C ATOM 1288 O ILE A 79 -11.350 2.354 -40.828 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.239 0.966 -37.872 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.600 -0.277 -37.056 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.419 1.936 -37.909 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.935 0.013 -35.609 1.00 0.00 C ATOM 0 H ILE A 79 -9.196 -0.382 -38.372 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.619 0.012 -39.782 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.397 1.465 -37.392 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.452 -0.771 -37.523 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.766 -0.978 -37.092 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.704 2.201 -36.891 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.133 2.837 -38.452 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.263 1.463 -38.411 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.180 -0.918 -35.098 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.077 0.479 -35.123 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.790 0.688 -35.562 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.265 2.303 -39.977 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.825 3.517 -40.656 1.00 0.00 C ATOM 1306 C ASP A 80 -8.783 3.288 -42.152 1.00 0.00 C ATOM 1307 O ASP A 80 -9.019 4.200 -42.940 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.434 3.951 -40.167 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.408 4.341 -38.705 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -6.409 4.031 -38.020 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -8.384 4.961 -38.231 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.545 1.857 -39.410 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.538 4.309 -40.425 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.728 3.137 -40.331 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.092 4.794 -40.767 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.480 2.058 -42.537 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.406 1.687 -43.942 1.00 0.00 C ATOM 1318 C LYS A 81 -9.775 1.312 -44.493 1.00 0.00 C ATOM 1319 O LYS A 81 -9.917 1.056 -45.685 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.436 0.518 -44.137 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.011 0.812 -43.703 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.429 1.986 -44.470 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.998 2.256 -44.055 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.428 3.427 -44.763 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.280 1.295 -41.891 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.042 2.556 -44.490 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.804 -0.342 -43.577 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.432 0.235 -45.190 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.992 1.028 -42.635 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.391 -0.071 -43.861 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.467 1.780 -45.540 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.035 2.875 -44.295 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.958 2.428 -42.979 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.388 1.376 -44.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.448 3.578 -44.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.442 3.253 -45.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.994 4.272 -44.547 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.781 1.275 -43.624 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.116 0.899 -44.055 1.00 0.00 C ATOM 1340 C GLY A 82 -12.206 -0.565 -44.436 1.00 0.00 C ATOM 1341 O GLY A 82 -13.093 -0.966 -45.184 1.00 0.00 O ATOM 0 H GLY A 82 -10.696 1.498 -42.632 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.826 1.108 -43.255 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.406 1.513 -44.908 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.288 -1.358 -43.920 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.237 -2.772 -44.246 1.00 0.00 C ATOM 1347 C ASP A 83 -12.056 -3.584 -43.256 1.00 0.00 C ATOM 1348 O ASP A 83 -11.599 -3.892 -42.157 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.800 -3.279 -44.297 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.703 -4.646 -44.942 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.940 -5.649 -44.258 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.392 -4.719 -46.146 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.565 -1.047 -43.271 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.671 -2.898 -45.238 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.185 -2.571 -44.853 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.396 -3.326 -43.286 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.273 -3.910 -43.652 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.191 -4.649 -42.791 1.00 0.00 C ATOM 1359 C LYS A 84 -13.769 -6.102 -42.685 1.00 0.00 C ATOM 1360 O LYS A 84 -14.009 -6.760 -41.670 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.620 -4.572 -43.319 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.214 -3.179 -43.305 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.637 -3.193 -43.829 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.263 -1.815 -43.772 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.668 -1.828 -44.239 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.654 -3.675 -44.569 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.157 -4.191 -41.802 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.639 -4.952 -44.340 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.252 -5.230 -42.722 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.200 -2.783 -42.289 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.604 -2.513 -43.915 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.644 -3.555 -44.857 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.235 -3.890 -43.242 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.224 -1.440 -42.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.682 -1.127 -44.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.061 -0.867 -44.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.704 -2.161 -45.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.228 -2.465 -43.637 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.125 -6.585 -43.738 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.701 -7.976 -43.827 1.00 0.00 C ATOM 1381 C ASP A 85 -11.754 -8.320 -42.695 1.00 0.00 C ATOM 1382 O ASP A 85 -11.961 -9.297 -41.967 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.995 -8.218 -45.163 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.913 -8.047 -46.348 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.488 -9.049 -46.815 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.070 -6.902 -46.822 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.882 -6.024 -44.555 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.585 -8.609 -43.755 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.157 -7.528 -45.256 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.581 -9.226 -45.173 1.00 0.00 H new ATOM 1391 N SER A 86 -10.724 -7.507 -42.534 1.00 0.00 N ATOM 1392 CA SER A 86 -9.747 -7.710 -41.494 1.00 0.00 C ATOM 1393 C SER A 86 -10.346 -7.501 -40.116 1.00 0.00 C ATOM 1394 O SER A 86 -9.936 -8.144 -39.169 1.00 0.00 O ATOM 1395 CB SER A 86 -8.555 -6.778 -41.698 1.00 0.00 C ATOM 1396 OG SER A 86 -8.042 -6.900 -43.015 1.00 0.00 O ATOM 0 H SER A 86 -10.547 -6.692 -43.122 1.00 0.00 H new ATOM 0 HA SER A 86 -9.407 -8.744 -41.556 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.858 -5.747 -41.514 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.774 -7.015 -40.975 1.00 0.00 H new ATOM 0 HG SER A 86 -8.705 -6.569 -43.656 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.335 -6.616 -40.008 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.937 -6.318 -38.711 1.00 0.00 C ATOM 1404 C LEU A 87 -12.543 -7.564 -38.103 1.00 0.00 C ATOM 1405 O LEU A 87 -12.303 -7.871 -36.940 1.00 0.00 O ATOM 1406 CB LEU A 87 -13.013 -5.235 -38.840 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.532 -3.865 -39.305 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.680 -2.870 -39.318 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.407 -3.371 -38.420 1.00 0.00 C ATOM 0 H LEU A 87 -11.732 -6.099 -40.792 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.146 -5.951 -38.058 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.773 -5.587 -39.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.500 -5.118 -37.872 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.153 -3.960 -40.323 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.316 -1.899 -39.653 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.457 -3.220 -39.997 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.092 -2.776 -38.313 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.075 -2.392 -38.766 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.761 -3.292 -37.392 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.574 -4.073 -38.464 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.317 -8.284 -38.897 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.929 -9.524 -38.449 1.00 0.00 C ATOM 1423 C GLU A 88 -12.868 -10.548 -38.039 1.00 0.00 C ATOM 1424 O GLU A 88 -12.969 -11.171 -36.984 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.820 -10.099 -39.551 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.877 -9.127 -40.051 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.776 -9.734 -41.101 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.406 -9.721 -42.294 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.864 -10.232 -40.740 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.537 -8.030 -39.860 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.540 -9.303 -37.574 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.194 -10.405 -40.390 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.312 -10.997 -39.177 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.483 -8.791 -39.210 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.388 -8.245 -40.463 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.845 -10.697 -38.869 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.781 -11.664 -38.613 1.00 0.00 C ATOM 1438 C GLN A 89 -9.927 -11.271 -37.397 1.00 0.00 C ATOM 1439 O GLN A 89 -9.652 -12.100 -36.529 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.900 -11.819 -39.861 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.688 -12.719 -39.665 1.00 0.00 C ATOM 1442 CD GLN A 89 -9.050 -14.121 -39.204 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -10.118 -14.650 -39.534 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -8.172 -14.722 -38.430 1.00 0.00 N ATOM 0 H GLN A 89 -11.727 -10.160 -39.728 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.250 -12.620 -38.382 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.508 -12.219 -40.673 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.558 -10.833 -40.175 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.136 -12.783 -40.603 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.021 -12.264 -38.933 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.303 -14.249 -38.182 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.360 -15.661 -38.078 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.538 -10.007 -37.328 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.699 -9.523 -36.237 1.00 0.00 C ATOM 1455 C LEU A 90 -9.451 -9.546 -34.917 1.00 0.00 C ATOM 1456 O LEU A 90 -8.861 -9.781 -33.868 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.182 -8.114 -36.534 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.296 -7.979 -37.778 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.938 -6.527 -38.021 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.036 -8.825 -37.642 1.00 0.00 C ATOM 0 H LEU A 90 -9.789 -9.295 -38.014 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.844 -10.194 -36.152 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.038 -7.449 -36.647 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.618 -7.764 -35.669 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.859 -8.345 -38.637 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.309 -6.451 -38.908 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.849 -5.948 -38.172 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.398 -6.136 -37.159 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.424 -8.712 -38.537 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.469 -8.496 -36.771 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.312 -9.872 -37.521 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.757 -9.316 -34.979 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.593 -9.347 -33.791 1.00 0.00 C ATOM 1474 C LEU A 91 -11.556 -10.752 -33.202 1.00 0.00 C ATOM 1475 O LEU A 91 -11.389 -10.940 -31.993 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.035 -8.987 -34.163 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.872 -8.274 -33.093 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.815 -8.990 -31.763 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -13.442 -6.834 -32.937 1.00 0.00 C ATOM 0 H LEU A 91 -11.258 -9.106 -35.842 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.223 -8.626 -33.061 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.008 -8.354 -35.050 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.552 -9.905 -34.442 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.907 -8.291 -33.434 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.421 -8.452 -31.034 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.200 -10.003 -31.878 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.782 -9.032 -31.416 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -14.052 -6.353 -32.172 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.394 -6.797 -32.641 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -13.570 -6.311 -33.885 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.682 -11.731 -34.076 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.658 -13.123 -33.680 1.00 0.00 C ATOM 1493 C GLU A 92 -10.289 -13.513 -33.137 1.00 0.00 C ATOM 1494 O GLU A 92 -10.193 -14.246 -32.157 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.046 -14.017 -34.849 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.503 -13.885 -35.262 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.461 -14.277 -34.156 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.489 -15.468 -33.786 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.207 -13.403 -33.664 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.804 -11.583 -35.078 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.388 -13.261 -32.882 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.412 -13.778 -35.703 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.845 -15.055 -34.583 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.700 -12.855 -35.560 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.687 -14.511 -36.135 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.225 -13.015 -33.766 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.876 -13.296 -33.298 1.00 0.00 C ATOM 1508 C GLU A 93 -7.633 -12.666 -31.931 1.00 0.00 C ATOM 1509 O GLU A 93 -6.945 -13.244 -31.088 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.828 -12.829 -34.312 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.776 -13.689 -35.566 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.630 -13.327 -36.488 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.464 -13.336 -36.027 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.878 -13.069 -37.684 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.274 -12.420 -34.593 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.777 -14.377 -33.195 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.041 -11.798 -34.596 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.847 -12.832 -33.837 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.685 -14.736 -35.278 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.716 -13.588 -36.108 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.214 -11.485 -31.708 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.119 -10.824 -30.409 1.00 0.00 C ATOM 1523 C LEU A 94 -8.740 -11.712 -29.342 1.00 0.00 C ATOM 1524 O LEU A 94 -8.216 -11.838 -28.236 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.841 -9.468 -30.423 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.158 -8.343 -31.198 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -9.071 -7.130 -31.287 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.845 -7.964 -30.534 1.00 0.00 C ATOM 0 H LEU A 94 -8.751 -10.971 -32.406 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.065 -10.652 -30.189 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.837 -9.615 -30.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.974 -9.141 -29.392 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.949 -8.697 -32.208 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.570 -6.337 -31.842 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.993 -7.405 -31.800 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.306 -6.777 -30.283 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.370 -7.161 -31.098 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.036 -7.628 -29.515 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.185 -8.831 -30.512 1.00 0.00 H new ATOM 1540 N GLU A 95 -9.861 -12.327 -29.695 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.568 -13.234 -28.806 1.00 0.00 C ATOM 1542 C GLU A 95 -9.710 -14.461 -28.498 1.00 0.00 C ATOM 1543 O GLU A 95 -9.592 -14.867 -27.351 1.00 0.00 O ATOM 1544 CB GLU A 95 -11.889 -13.672 -29.453 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.135 -13.382 -28.623 1.00 0.00 C ATOM 1546 CD GLU A 95 -13.181 -14.158 -27.320 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -13.030 -15.393 -27.354 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -13.400 -13.540 -26.257 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.304 -12.210 -30.606 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.778 -12.713 -27.872 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.988 -13.173 -30.417 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.843 -14.743 -29.651 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.177 -12.315 -28.404 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.020 -13.622 -29.212 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.064 -15.008 -29.528 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.268 -16.229 -29.388 1.00 0.00 C ATOM 1557 C GLN A 96 -7.015 -15.981 -28.541 1.00 0.00 C ATOM 1558 O GLN A 96 -6.615 -16.823 -27.732 1.00 0.00 O ATOM 1559 CB GLN A 96 -7.876 -16.758 -30.772 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.063 -17.157 -31.641 1.00 0.00 C ATOM 1561 CD GLN A 96 -8.660 -17.517 -33.061 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -7.555 -18.006 -33.305 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.549 -17.281 -34.006 1.00 0.00 N ATOM 0 H GLN A 96 -9.076 -14.623 -30.473 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.876 -16.975 -28.876 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.299 -15.994 -31.292 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.223 -17.622 -30.648 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.571 -18.007 -31.186 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.779 -16.336 -31.669 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.453 -16.875 -33.766 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.332 -17.504 -34.977 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.397 -14.833 -28.742 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.209 -14.463 -27.982 1.00 0.00 C ATOM 1574 C ALA A 97 -5.583 -14.179 -26.536 1.00 0.00 C ATOM 1575 O ALA A 97 -4.900 -14.617 -25.609 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.523 -13.260 -28.612 1.00 0.00 C ATOM 0 H ALA A 97 -6.695 -14.137 -29.425 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.507 -15.296 -28.000 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.639 -12.999 -28.030 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.227 -13.503 -29.633 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.211 -12.414 -28.625 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.687 -13.470 -26.356 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.182 -13.147 -25.025 1.00 0.00 C ATOM 1584 C LEU A 98 -7.512 -14.426 -24.259 1.00 0.00 C ATOM 1585 O LEU A 98 -7.189 -14.547 -23.074 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.410 -12.219 -25.110 1.00 0.00 C ATOM 1587 CG LEU A 98 -8.994 -11.732 -23.772 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.580 -10.341 -23.930 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.067 -12.691 -23.267 1.00 0.00 C ATOM 0 H LEU A 98 -7.260 -13.106 -27.118 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.400 -12.616 -24.482 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.138 -11.345 -25.702 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.196 -12.741 -25.656 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.186 -11.699 -23.041 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.990 -10.008 -22.976 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.799 -9.651 -24.250 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.373 -10.363 -24.678 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.465 -12.326 -22.320 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.872 -12.754 -23.999 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.632 -13.680 -23.121 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.130 -15.389 -24.947 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.472 -16.669 -24.330 1.00 0.00 C ATOM 1603 C GLN A 99 -7.231 -17.397 -23.845 1.00 0.00 C ATOM 1604 O GLN A 99 -7.248 -18.009 -22.785 1.00 0.00 O ATOM 1605 CB GLN A 99 -9.245 -17.574 -25.298 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.628 -17.067 -25.665 1.00 0.00 C ATOM 1607 CD GLN A 99 -11.500 -16.810 -24.456 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -11.361 -17.463 -23.418 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.406 -15.871 -24.582 1.00 0.00 N ATOM 0 H GLN A 99 -8.402 -15.306 -25.927 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.110 -16.443 -23.475 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.661 -17.691 -26.211 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.341 -18.564 -24.852 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.531 -16.146 -26.239 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.117 -17.796 -26.311 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.487 -15.355 -25.458 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.030 -15.656 -23.804 1.00 0.00 H new ATOM 1618 N LYS A 100 -6.148 -17.311 -24.600 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.917 -17.982 -24.222 1.00 0.00 C ATOM 1620 C LYS A 100 -4.287 -17.332 -22.998 1.00 0.00 C ATOM 1621 O LYS A 100 -3.814 -18.020 -22.093 1.00 0.00 O ATOM 1622 CB LYS A 100 -3.924 -17.981 -25.389 1.00 0.00 C ATOM 1623 CG LYS A 100 -4.211 -19.034 -26.447 1.00 0.00 C ATOM 1624 CD LYS A 100 -3.085 -19.122 -27.470 1.00 0.00 C ATOM 1625 CE LYS A 100 -2.988 -17.864 -28.321 1.00 0.00 C ATOM 1626 NZ LYS A 100 -4.193 -17.673 -29.163 1.00 0.00 N1+ ATOM 0 H LYS A 100 -6.097 -16.786 -25.473 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.165 -19.013 -23.970 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.932 -16.997 -25.859 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.919 -18.139 -24.997 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.346 -20.004 -25.969 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.146 -18.796 -26.954 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.139 -19.285 -26.954 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.249 -19.985 -28.116 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.856 -16.997 -27.674 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.106 -17.924 -28.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.046 -16.865 -29.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.363 -18.531 -29.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.016 -17.489 -28.555 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.292 -16.007 -22.971 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.695 -15.265 -21.871 1.00 0.00 C ATOM 1642 C ILE A 101 -4.422 -15.536 -20.556 1.00 0.00 C ATOM 1643 O ILE A 101 -3.787 -15.823 -19.537 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.696 -13.747 -22.158 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.872 -13.455 -23.409 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.137 -12.976 -20.963 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.979 -12.031 -23.893 1.00 0.00 C ATOM 0 H ILE A 101 -4.704 -15.424 -23.699 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.665 -15.608 -21.777 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.723 -13.422 -22.326 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.826 -13.681 -23.204 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.192 -14.125 -24.207 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.145 -11.908 -21.183 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.752 -13.170 -20.085 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.114 -13.298 -20.768 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.366 -11.903 -24.785 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.018 -11.805 -24.132 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.631 -11.354 -23.113 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.753 -15.466 -20.574 1.00 0.00 N ATOM 1660 CA ARG A 102 -6.527 -15.714 -19.364 1.00 0.00 C ATOM 1661 C ARG A 102 -6.330 -17.135 -18.846 1.00 0.00 C ATOM 1662 O ARG A 102 -6.201 -17.338 -17.646 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.018 -15.411 -19.562 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.632 -16.048 -20.788 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.093 -16.372 -20.565 1.00 0.00 C ATOM 1666 NE ARG A 102 -10.252 -17.461 -19.599 1.00 0.00 N ATOM 1667 CZ ARG A 102 -10.621 -18.704 -19.913 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -10.905 -19.024 -21.170 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -10.711 -19.625 -18.963 1.00 0.00 N ATOM 0 H ARG A 102 -6.308 -15.243 -21.400 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.147 -15.026 -18.609 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.564 -15.749 -18.681 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.151 -14.331 -19.625 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.532 -15.374 -21.639 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.089 -16.960 -21.038 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.614 -15.485 -20.206 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.555 -16.652 -21.512 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.068 -17.255 -18.617 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.842 -18.317 -21.903 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.186 -19.976 -21.403 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.498 -19.382 -17.995 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.993 -20.576 -19.200 1.00 0.00 H new ATOM 1683 N GLU A 103 -6.283 -18.116 -19.749 1.00 0.00 N ATOM 1684 CA GLU A 103 -6.085 -19.504 -19.336 1.00 0.00 C ATOM 1685 C GLU A 103 -4.758 -19.674 -18.614 1.00 0.00 C ATOM 1686 O GLU A 103 -4.659 -20.444 -17.664 1.00 0.00 O ATOM 1687 CB GLU A 103 -6.164 -20.460 -20.521 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.545 -20.559 -21.139 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.615 -21.604 -22.223 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.551 -22.431 -22.202 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.729 -21.622 -23.098 1.00 0.00 O1- ATOM 0 H GLU A 103 -6.378 -17.978 -20.755 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.892 -19.752 -18.647 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.457 -20.136 -21.285 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.850 -21.452 -20.197 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.272 -20.796 -20.362 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.825 -19.590 -21.553 1.00 0.00 H new ATOM 1698 N LEU A 104 -3.742 -18.944 -19.058 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.433 -18.994 -18.427 1.00 0.00 C ATOM 1700 C LEU A 104 -2.480 -18.351 -17.043 1.00 0.00 C ATOM 1701 O LEU A 104 -1.883 -18.854 -16.092 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.394 -18.283 -19.300 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.142 -18.904 -20.677 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -0.156 -18.064 -21.470 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -0.636 -20.330 -20.538 1.00 0.00 C ATOM 0 H LEU A 104 -3.802 -18.310 -19.855 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.145 -20.040 -18.316 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.712 -17.250 -19.441 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.449 -18.255 -18.757 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.088 -18.927 -21.219 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.010 -18.522 -22.445 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.559 -17.060 -21.604 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.789 -18.007 -20.931 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.463 -20.753 -21.528 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.297 -20.332 -19.975 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.378 -20.930 -20.012 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.219 -17.253 -16.931 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.342 -16.531 -15.667 1.00 0.00 C ATOM 1719 C ALA A 105 -4.199 -17.311 -14.673 1.00 0.00 C ATOM 1720 O ALA A 105 -3.969 -17.267 -13.466 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.927 -15.147 -15.904 1.00 0.00 C ATOM 0 H ALA A 105 -3.744 -16.841 -17.702 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.346 -16.421 -15.239 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.013 -14.621 -14.953 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.274 -14.585 -16.572 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.914 -15.242 -16.357 1.00 0.00 H new