USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0742 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.88) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.13 K(o=1.1,f=-0.092) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 31 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-3.3!) USER MOD Single : A 33 ASN : amide:sc= 1.23 K(o=1.2,f=-0.012) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 65:sc= 0.0351 USER MOD Single : A 37 THR OG1 : rot -104:sc= 1.29 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 50 ASN : amide:sc= -0.142 X(o=-0.14,f=0.092) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.106 -2.979 10.363 1.00 0.00 N ATOM 2 CA GLY A 1 -9.400 -4.035 9.363 1.00 0.00 C ATOM 3 C GLY A 1 -10.315 -3.538 8.267 1.00 0.00 C ATOM 4 O GLY A 1 -10.991 -2.522 8.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.104 -2.709 10.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.702 -2.148 10.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.306 -3.340 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.467 -4.388 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.861 -4.888 9.861 1.00 0.00 H new ATOM 10 N SER A 2 -10.345 -4.249 7.146 1.00 0.00 N ATOM 11 CA SER A 2 -11.162 -3.857 6.008 1.00 0.00 C ATOM 12 C SER A 2 -12.623 -4.282 6.196 1.00 0.00 C ATOM 13 O SER A 2 -13.139 -5.123 5.459 1.00 0.00 O ATOM 14 CB SER A 2 -10.594 -4.464 4.721 1.00 0.00 C ATOM 15 OG SER A 2 -9.176 -4.440 4.728 1.00 0.00 O ATOM 0 H SER A 2 -9.809 -5.105 7.002 1.00 0.00 H new ATOM 0 HA SER A 2 -11.138 -2.770 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.943 -5.491 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.966 -3.910 3.859 1.00 0.00 H new ATOM 0 HG SER A 2 -8.838 -4.834 3.897 1.00 0.00 H new ATOM 21 N ALA A 3 -13.283 -3.689 7.180 1.00 0.00 N ATOM 22 CA ALA A 3 -14.682 -3.986 7.448 1.00 0.00 C ATOM 23 C ALA A 3 -15.589 -3.147 6.552 1.00 0.00 C ATOM 24 O ALA A 3 -16.339 -2.298 7.030 1.00 0.00 O ATOM 25 CB ALA A 3 -15.002 -3.742 8.916 1.00 0.00 C ATOM 0 H ALA A 3 -12.871 -2.998 7.807 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.863 -5.038 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.052 -3.968 9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.377 -4.384 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.807 -2.698 9.162 1.00 0.00 H new ATOM 31 N LYS A 4 -15.498 -3.380 5.250 1.00 0.00 N ATOM 32 CA LYS A 4 -16.310 -2.655 4.276 1.00 0.00 C ATOM 33 C LYS A 4 -17.006 -3.646 3.349 1.00 0.00 C ATOM 34 O LYS A 4 -16.756 -3.654 2.144 1.00 0.00 O ATOM 35 CB LYS A 4 -15.445 -1.690 3.454 1.00 0.00 C ATOM 36 CG LYS A 4 -14.432 -0.910 4.281 1.00 0.00 C ATOM 37 CD LYS A 4 -13.058 -0.916 3.632 1.00 0.00 C ATOM 38 CE LYS A 4 -12.585 0.492 3.305 1.00 0.00 C ATOM 39 NZ LYS A 4 -11.599 0.986 4.303 1.00 0.00 N ATOM 0 H LYS A 4 -14.867 -4.069 4.840 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.058 -2.072 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.915 -2.256 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.096 -0.985 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.774 0.118 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.366 -1.343 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.342 -1.395 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.089 -1.511 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.135 0.504 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.441 1.166 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.299 1.949 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.036 0.998 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.771 0.357 4.314 1.00 0.00 H new ATOM 53 N ARG A 5 -17.884 -4.466 3.934 1.00 0.00 N ATOM 54 CA ARG A 5 -18.575 -5.547 3.226 1.00 0.00 C ATOM 55 C ARG A 5 -17.611 -6.688 2.902 1.00 0.00 C ATOM 56 O ARG A 5 -16.474 -6.468 2.483 1.00 0.00 O ATOM 57 CB ARG A 5 -19.264 -5.048 1.948 1.00 0.00 C ATOM 58 CG ARG A 5 -20.776 -4.950 2.075 1.00 0.00 C ATOM 59 CD ARG A 5 -21.481 -5.687 0.948 1.00 0.00 C ATOM 60 NE ARG A 5 -21.642 -7.111 1.238 1.00 0.00 N ATOM 61 CZ ARG A 5 -21.932 -8.031 0.316 1.00 0.00 C ATOM 62 NH1 ARG A 5 -22.129 -7.670 -0.944 1.00 0.00 N ATOM 63 NH2 ARG A 5 -22.048 -9.309 0.652 1.00 0.00 N ATOM 0 H ARG A 5 -18.137 -4.398 4.920 1.00 0.00 H new ATOM 0 HA ARG A 5 -19.351 -5.923 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -18.865 -4.068 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.019 -5.720 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -21.089 -5.365 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -21.075 -3.902 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -22.460 -5.239 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -20.912 -5.567 0.026 1.00 0.00 H new ATOM 0 HE ARG A 5 -21.526 -7.420 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -22.059 -6.688 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.351 -8.374 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -21.915 -9.595 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -22.270 -10.005 -0.060 1.00 0.00 H new ATOM 77 N LYS A 6 -18.069 -7.908 3.109 1.00 0.00 N ATOM 78 CA LYS A 6 -17.228 -9.078 2.907 1.00 0.00 C ATOM 79 C LYS A 6 -17.832 -9.995 1.854 1.00 0.00 C ATOM 80 O LYS A 6 -19.018 -9.892 1.539 1.00 0.00 O ATOM 81 CB LYS A 6 -17.042 -9.837 4.224 1.00 0.00 C ATOM 82 CG LYS A 6 -16.088 -9.152 5.188 1.00 0.00 C ATOM 83 CD LYS A 6 -16.269 -9.663 6.606 1.00 0.00 C ATOM 84 CE LYS A 6 -16.939 -8.625 7.490 1.00 0.00 C ATOM 85 NZ LYS A 6 -17.304 -9.185 8.816 1.00 0.00 N ATOM 0 H LYS A 6 -19.019 -8.117 3.417 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.252 -8.742 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.012 -9.954 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.671 -10.839 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.060 -9.322 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.255 -8.075 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.869 -10.573 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.298 -9.928 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.269 -7.776 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.834 -8.249 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.759 -8.447 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.963 -9.979 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.446 -9.521 9.299 1.00 0.00 H new ATOM 99 N ARG A 7 -16.993 -10.878 1.310 1.00 0.00 N ATOM 100 CA ARG A 7 -17.401 -11.827 0.275 1.00 0.00 C ATOM 101 C ARG A 7 -17.821 -11.095 -0.994 1.00 0.00 C ATOM 102 O ARG A 7 -18.852 -11.402 -1.596 1.00 0.00 O ATOM 103 CB ARG A 7 -18.533 -12.738 0.768 1.00 0.00 C ATOM 104 CG ARG A 7 -18.402 -14.179 0.298 1.00 0.00 C ATOM 105 CD ARG A 7 -19.528 -15.047 0.836 1.00 0.00 C ATOM 106 NE ARG A 7 -19.171 -15.686 2.103 1.00 0.00 N ATOM 107 CZ ARG A 7 -18.494 -16.830 2.197 1.00 0.00 C ATOM 108 NH1 ARG A 7 -18.087 -17.466 1.105 1.00 0.00 N ATOM 109 NH2 ARG A 7 -18.223 -17.335 3.393 1.00 0.00 N ATOM 0 H ARG A 7 -16.011 -10.955 1.575 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.540 -12.455 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.554 -12.720 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -19.487 -12.337 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.407 -14.209 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.443 -14.583 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.420 -14.437 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.778 -15.813 0.102 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.458 -15.227 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.292 -17.080 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.569 -18.341 1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.532 -16.848 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.705 -18.210 3.472 1.00 0.00 H new ATOM 123 N VAL A 8 -17.003 -10.139 -1.401 1.00 0.00 N ATOM 124 CA VAL A 8 -17.274 -9.349 -2.592 1.00 0.00 C ATOM 125 C VAL A 8 -16.270 -9.690 -3.685 1.00 0.00 C ATOM 126 O VAL A 8 -15.657 -8.799 -4.280 1.00 0.00 O ATOM 127 CB VAL A 8 -17.230 -7.829 -2.301 1.00 0.00 C ATOM 128 CG1 VAL A 8 -18.640 -7.278 -2.153 1.00 0.00 C ATOM 129 CG2 VAL A 8 -16.402 -7.527 -1.060 1.00 0.00 C ATOM 0 H VAL A 8 -16.139 -9.889 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.282 -9.597 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.750 -7.337 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.593 -6.208 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.195 -7.447 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.143 -7.783 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.391 -6.452 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.840 -8.032 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.382 -7.881 -1.208 1.00 0.00 H new ATOM 139 N ALA A 9 -16.119 -10.997 -3.924 1.00 0.00 N ATOM 140 CA ALA A 9 -15.179 -11.546 -4.905 1.00 0.00 C ATOM 141 C ALA A 9 -13.744 -11.504 -4.387 1.00 0.00 C ATOM 142 O ALA A 9 -13.404 -10.712 -3.508 1.00 0.00 O ATOM 143 CB ALA A 9 -15.293 -10.840 -6.254 1.00 0.00 C ATOM 0 H ALA A 9 -16.655 -11.713 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.450 -12.591 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.580 -11.276 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.304 -10.961 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.077 -9.779 -6.129 1.00 0.00 H new ATOM 149 N GLY A 10 -12.911 -12.381 -4.929 1.00 0.00 N ATOM 150 CA GLY A 10 -11.521 -12.456 -4.530 1.00 0.00 C ATOM 151 C GLY A 10 -10.680 -13.084 -5.618 1.00 0.00 C ATOM 152 O GLY A 10 -10.266 -14.239 -5.513 1.00 0.00 O ATOM 0 H GLY A 10 -13.179 -13.052 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.148 -11.456 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.433 -13.040 -3.614 1.00 0.00 H new ATOM 156 N ASP A 11 -10.438 -12.324 -6.676 1.00 0.00 N ATOM 157 CA ASP A 11 -9.737 -12.839 -7.848 1.00 0.00 C ATOM 158 C ASP A 11 -8.228 -12.843 -7.644 1.00 0.00 C ATOM 159 O ASP A 11 -7.488 -13.479 -8.395 1.00 0.00 O ATOM 160 CB ASP A 11 -10.089 -11.992 -9.070 1.00 0.00 C ATOM 161 CG ASP A 11 -10.748 -12.799 -10.165 1.00 0.00 C ATOM 162 OD1 ASP A 11 -11.762 -13.471 -9.888 1.00 0.00 O ATOM 163 OD2 ASP A 11 -10.255 -12.760 -11.312 1.00 0.00 O ATOM 0 H ASP A 11 -10.717 -11.346 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.056 -13.869 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.755 -11.184 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.183 -11.529 -9.460 1.00 0.00 H new ATOM 168 N LEU A 12 -7.781 -12.135 -6.624 1.00 0.00 N ATOM 169 CA LEU A 12 -6.359 -12.021 -6.344 1.00 0.00 C ATOM 170 C LEU A 12 -5.864 -13.213 -5.539 1.00 0.00 C ATOM 171 O LEU A 12 -6.650 -13.872 -4.856 1.00 0.00 O ATOM 172 CB LEU A 12 -6.078 -10.736 -5.572 1.00 0.00 C ATOM 173 CG LEU A 12 -6.547 -9.457 -6.255 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.643 -8.329 -5.243 1.00 0.00 C ATOM 175 CD2 LEU A 12 -5.606 -9.084 -7.389 1.00 0.00 C ATOM 0 H LEU A 12 -8.382 -11.629 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.830 -11.999 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.557 -10.805 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.005 -10.663 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.537 -9.628 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.979 -7.420 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.355 -8.599 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.664 -8.157 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.956 -8.168 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.603 -8.926 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.584 -9.890 -8.123 1.00 0.00 H new ATOM 187 N PRO A 13 -4.558 -13.509 -5.621 1.00 0.00 N ATOM 188 CA PRO A 13 -3.923 -14.550 -4.803 1.00 0.00 C ATOM 189 C PRO A 13 -4.109 -14.305 -3.304 1.00 0.00 C ATOM 190 O PRO A 13 -4.515 -13.220 -2.883 1.00 0.00 O ATOM 191 CB PRO A 13 -2.441 -14.456 -5.190 1.00 0.00 C ATOM 192 CG PRO A 13 -2.441 -13.827 -6.539 1.00 0.00 C ATOM 193 CD PRO A 13 -3.596 -12.874 -6.542 1.00 0.00 C ATOM 0 HA PRO A 13 -4.358 -15.533 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.882 -13.855 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.974 -15.441 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.503 -13.305 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.551 -14.578 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.302 -11.883 -6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.015 -12.752 -7.541 1.00 0.00 H new ATOM 201 N TYR A 14 -3.778 -15.316 -2.509 1.00 0.00 N ATOM 202 CA TYR A 14 -4.008 -15.301 -1.062 1.00 0.00 C ATOM 203 C TYR A 14 -3.376 -14.077 -0.387 1.00 0.00 C ATOM 204 O TYR A 14 -3.967 -13.483 0.514 1.00 0.00 O ATOM 205 CB TYR A 14 -3.471 -16.612 -0.461 1.00 0.00 C ATOM 206 CG TYR A 14 -2.739 -16.462 0.853 1.00 0.00 C ATOM 207 CD1 TYR A 14 -3.428 -16.249 2.039 1.00 0.00 C ATOM 208 CD2 TYR A 14 -1.354 -16.546 0.904 1.00 0.00 C ATOM 209 CE1 TYR A 14 -2.758 -16.115 3.238 1.00 0.00 C ATOM 210 CE2 TYR A 14 -0.677 -16.414 2.099 1.00 0.00 C ATOM 211 CZ TYR A 14 -1.381 -16.201 3.264 1.00 0.00 C ATOM 212 OH TYR A 14 -0.706 -16.071 4.460 1.00 0.00 O ATOM 0 H TYR A 14 -3.341 -16.173 -2.847 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.080 -15.226 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.307 -17.297 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.799 -17.076 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.506 -16.187 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.798 -16.717 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.309 -15.944 4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.401 -16.477 2.121 1.00 0.00 H new ATOM 0 HH TYR A 14 0.257 -16.158 4.303 1.00 0.00 H new ATOM 222 N GLY A 15 -2.184 -13.697 -0.835 1.00 0.00 N ATOM 223 CA GLY A 15 -1.469 -12.603 -0.206 1.00 0.00 C ATOM 224 C GLY A 15 -1.988 -11.238 -0.604 1.00 0.00 C ATOM 225 O GLY A 15 -1.793 -10.255 0.115 1.00 0.00 O ATOM 0 H GLY A 15 -1.700 -14.128 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.538 -12.708 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.413 -12.672 -0.466 1.00 0.00 H new ATOM 229 N TRP A 16 -2.644 -11.173 -1.750 1.00 0.00 N ATOM 230 CA TRP A 16 -3.070 -9.903 -2.312 1.00 0.00 C ATOM 231 C TRP A 16 -4.442 -9.470 -1.821 1.00 0.00 C ATOM 232 O TRP A 16 -5.401 -10.243 -1.838 1.00 0.00 O ATOM 233 CB TRP A 16 -3.064 -9.991 -3.831 1.00 0.00 C ATOM 234 CG TRP A 16 -1.688 -10.153 -4.372 1.00 0.00 C ATOM 235 CD1 TRP A 16 -1.022 -11.323 -4.582 1.00 0.00 C ATOM 236 CD2 TRP A 16 -0.799 -9.108 -4.747 1.00 0.00 C ATOM 237 NE1 TRP A 16 0.229 -11.070 -5.072 1.00 0.00 N ATOM 238 CE2 TRP A 16 0.391 -9.710 -5.188 1.00 0.00 C ATOM 239 CE3 TRP A 16 -0.901 -7.720 -4.760 1.00 0.00 C ATOM 240 CZ2 TRP A 16 1.483 -8.962 -5.630 1.00 0.00 C ATOM 241 CZ3 TRP A 16 0.176 -6.982 -5.195 1.00 0.00 C ATOM 242 CH2 TRP A 16 1.353 -7.603 -5.630 1.00 0.00 C ATOM 0 H TRP A 16 -2.894 -11.988 -2.311 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.362 -9.146 -1.975 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -3.680 -10.832 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.515 -9.091 -4.249 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.424 -12.307 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.927 -11.774 -5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.808 -7.232 -4.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 2.394 -9.439 -5.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.112 -5.904 -5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.176 -6.994 -5.973 1.00 0.00 H new ATOM 253 N GLU A 17 -4.519 -8.222 -1.383 1.00 0.00 N ATOM 254 CA GLU A 17 -5.779 -7.612 -0.993 1.00 0.00 C ATOM 255 C GLU A 17 -6.130 -6.507 -1.978 1.00 0.00 C ATOM 256 O GLU A 17 -5.254 -5.765 -2.427 1.00 0.00 O ATOM 257 CB GLU A 17 -5.680 -7.031 0.420 1.00 0.00 C ATOM 258 CG GLU A 17 -6.045 -8.017 1.525 1.00 0.00 C ATOM 259 CD GLU A 17 -7.394 -8.674 1.319 1.00 0.00 C ATOM 260 OE1 GLU A 17 -8.264 -8.077 0.650 1.00 0.00 O ATOM 261 OE2 GLU A 17 -7.591 -9.796 1.834 1.00 0.00 O ATOM 0 H GLU A 17 -3.711 -7.606 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.558 -8.374 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.663 -6.677 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.335 -6.163 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.277 -8.789 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.045 -7.496 2.482 1.00 0.00 H new ATOM 268 N GLN A 18 -7.406 -6.410 -2.324 1.00 0.00 N ATOM 269 CA GLN A 18 -7.869 -5.390 -3.258 1.00 0.00 C ATOM 270 C GLN A 18 -8.341 -4.152 -2.495 1.00 0.00 C ATOM 271 O GLN A 18 -9.420 -4.146 -1.899 1.00 0.00 O ATOM 272 CB GLN A 18 -8.996 -5.952 -4.134 1.00 0.00 C ATOM 273 CG GLN A 18 -9.618 -4.936 -5.078 1.00 0.00 C ATOM 274 CD GLN A 18 -10.375 -5.594 -6.212 1.00 0.00 C ATOM 275 OE1 GLN A 18 -11.428 -6.189 -6.004 1.00 0.00 O ATOM 276 NE2 GLN A 18 -9.847 -5.487 -7.421 1.00 0.00 N ATOM 0 H GLN A 18 -8.140 -7.025 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.042 -5.098 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.605 -6.784 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.776 -6.356 -3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.295 -4.290 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.835 -4.298 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.969 -4.984 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.318 -5.908 -8.222 1.00 0.00 H new ATOM 285 N GLU A 19 -7.521 -3.109 -2.505 1.00 0.00 N ATOM 286 CA GLU A 19 -7.827 -1.890 -1.771 1.00 0.00 C ATOM 287 C GLU A 19 -8.161 -0.755 -2.728 1.00 0.00 C ATOM 288 O GLU A 19 -7.954 -0.866 -3.937 1.00 0.00 O ATOM 289 CB GLU A 19 -6.646 -1.474 -0.894 1.00 0.00 C ATOM 290 CG GLU A 19 -5.910 -2.634 -0.250 1.00 0.00 C ATOM 291 CD GLU A 19 -5.376 -2.310 1.129 1.00 0.00 C ATOM 292 OE1 GLU A 19 -5.514 -1.145 1.570 1.00 0.00 O ATOM 293 OE2 GLU A 19 -4.794 -3.210 1.777 1.00 0.00 O ATOM 0 H GLU A 19 -6.638 -3.084 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.691 -2.094 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.942 -0.903 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.007 -0.807 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.583 -3.489 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.081 -2.932 -0.893 1.00 0.00 H new ATOM 300 N THR A 20 -8.682 0.328 -2.183 1.00 0.00 N ATOM 301 CA THR A 20 -8.955 1.517 -2.963 1.00 0.00 C ATOM 302 C THR A 20 -8.277 2.723 -2.333 1.00 0.00 C ATOM 303 O THR A 20 -8.339 2.918 -1.112 1.00 0.00 O ATOM 304 CB THR A 20 -10.464 1.780 -3.077 1.00 0.00 C ATOM 305 OG1 THR A 20 -11.156 0.543 -3.302 1.00 0.00 O ATOM 306 CG2 THR A 20 -10.739 2.745 -4.216 1.00 0.00 C ATOM 0 H THR A 20 -8.926 0.407 -1.196 1.00 0.00 H new ATOM 0 HA THR A 20 -8.558 1.354 -3.965 1.00 0.00 H new ATOM 0 HB THR A 20 -10.820 2.224 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.118 0.715 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.811 2.925 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.225 3.687 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.379 2.316 -5.151 1.00 0.00 H new ATOM 314 N ASP A 21 -7.619 3.520 -3.161 1.00 0.00 N ATOM 315 CA ASP A 21 -6.884 4.677 -2.682 1.00 0.00 C ATOM 316 C ASP A 21 -7.827 5.841 -2.401 1.00 0.00 C ATOM 317 O ASP A 21 -9.050 5.717 -2.522 1.00 0.00 O ATOM 318 CB ASP A 21 -5.788 5.074 -3.688 1.00 0.00 C ATOM 319 CG ASP A 21 -6.168 6.247 -4.574 1.00 0.00 C ATOM 320 OD1 ASP A 21 -7.128 6.124 -5.353 1.00 0.00 O ATOM 321 OD2 ASP A 21 -5.521 7.309 -4.469 1.00 0.00 O ATOM 0 H ASP A 21 -7.580 3.385 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.398 4.413 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.878 5.323 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.557 4.215 -4.317 1.00 0.00 H new ATOM 326 N GLU A 22 -7.245 6.963 -2.029 1.00 0.00 N ATOM 327 CA GLU A 22 -8.001 8.162 -1.667 1.00 0.00 C ATOM 328 C GLU A 22 -8.725 8.753 -2.876 1.00 0.00 C ATOM 329 O GLU A 22 -9.807 9.327 -2.744 1.00 0.00 O ATOM 330 CB GLU A 22 -7.077 9.217 -1.056 1.00 0.00 C ATOM 331 CG GLU A 22 -5.619 9.064 -1.457 1.00 0.00 C ATOM 332 CD GLU A 22 -4.694 9.892 -0.594 1.00 0.00 C ATOM 333 OE1 GLU A 22 -4.621 9.629 0.623 1.00 0.00 O ATOM 334 OE2 GLU A 22 -4.043 10.816 -1.129 1.00 0.00 O ATOM 0 H GLU A 22 -6.233 7.077 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.747 7.866 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.424 10.206 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.152 9.167 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.334 8.014 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.499 9.358 -2.500 1.00 0.00 H new ATOM 341 N ASN A 23 -8.122 8.608 -4.047 1.00 0.00 N ATOM 342 CA ASN A 23 -8.686 9.152 -5.279 1.00 0.00 C ATOM 343 C ASN A 23 -9.820 8.264 -5.778 1.00 0.00 C ATOM 344 O ASN A 23 -10.704 8.708 -6.514 1.00 0.00 O ATOM 345 CB ASN A 23 -7.603 9.256 -6.357 1.00 0.00 C ATOM 346 CG ASN A 23 -6.545 10.291 -6.035 1.00 0.00 C ATOM 347 OD1 ASN A 23 -6.636 11.446 -6.456 1.00 0.00 O ATOM 348 ND2 ASN A 23 -5.524 9.882 -5.302 1.00 0.00 N ATOM 0 H ASN A 23 -7.237 8.116 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.078 10.147 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.126 8.284 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.069 9.506 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.774 10.531 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.486 8.917 -4.973 1.00 0.00 H new ATOM 355 N GLY A 24 -9.782 7.005 -5.368 1.00 0.00 N ATOM 356 CA GLY A 24 -10.787 6.053 -5.788 1.00 0.00 C ATOM 357 C GLY A 24 -10.253 5.113 -6.843 1.00 0.00 C ATOM 358 O GLY A 24 -11.016 4.434 -7.532 1.00 0.00 O ATOM 0 H GLY A 24 -9.067 6.624 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.128 5.479 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.654 6.586 -6.179 1.00 0.00 H new ATOM 362 N GLN A 25 -8.943 5.093 -6.984 1.00 0.00 N ATOM 363 CA GLN A 25 -8.284 4.162 -7.866 1.00 0.00 C ATOM 364 C GLN A 25 -8.074 2.852 -7.133 1.00 0.00 C ATOM 365 O GLN A 25 -7.728 2.847 -5.947 1.00 0.00 O ATOM 366 CB GLN A 25 -6.934 4.715 -8.330 1.00 0.00 C ATOM 367 CG GLN A 25 -7.019 6.089 -8.973 1.00 0.00 C ATOM 368 CD GLN A 25 -6.556 6.080 -10.416 1.00 0.00 C ATOM 369 OE1 GLN A 25 -7.079 5.334 -11.243 1.00 0.00 O ATOM 370 NE2 GLN A 25 -5.573 6.909 -10.727 1.00 0.00 N ATOM 0 H GLN A 25 -8.310 5.722 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.909 4.004 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.260 4.766 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.493 4.018 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.048 6.446 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.411 6.792 -8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.167 7.511 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.221 6.946 -11.684 1.00 0.00 H new ATOM 379 N VAL A 26 -8.311 1.747 -7.808 1.00 0.00 N ATOM 380 CA VAL A 26 -8.083 0.457 -7.193 1.00 0.00 C ATOM 381 C VAL A 26 -6.632 0.055 -7.343 1.00 0.00 C ATOM 382 O VAL A 26 -5.934 0.494 -8.259 1.00 0.00 O ATOM 383 CB VAL A 26 -9.003 -0.644 -7.762 1.00 0.00 C ATOM 384 CG1 VAL A 26 -8.410 -1.289 -9.006 1.00 0.00 C ATOM 385 CG2 VAL A 26 -9.291 -1.694 -6.699 1.00 0.00 C ATOM 0 H VAL A 26 -8.656 1.715 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.326 0.561 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.941 -0.172 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.088 -2.058 -9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.267 -0.531 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.449 -1.740 -8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.941 -2.464 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.355 -2.147 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.784 -1.224 -5.848 1.00 0.00 H new ATOM 395 N PHE A 27 -6.190 -0.766 -6.423 1.00 0.00 N ATOM 396 CA PHE A 27 -4.830 -1.258 -6.419 1.00 0.00 C ATOM 397 C PHE A 27 -4.750 -2.515 -5.576 1.00 0.00 C ATOM 398 O PHE A 27 -5.635 -2.793 -4.763 1.00 0.00 O ATOM 399 CB PHE A 27 -3.859 -0.191 -5.900 1.00 0.00 C ATOM 400 CG PHE A 27 -4.050 0.156 -4.454 1.00 0.00 C ATOM 401 CD1 PHE A 27 -4.967 1.123 -4.069 1.00 0.00 C ATOM 402 CD2 PHE A 27 -3.315 -0.492 -3.476 1.00 0.00 C ATOM 403 CE1 PHE A 27 -5.147 1.433 -2.739 1.00 0.00 C ATOM 404 CE2 PHE A 27 -3.492 -0.190 -2.146 1.00 0.00 C ATOM 405 CZ PHE A 27 -4.412 0.777 -1.775 1.00 0.00 C ATOM 0 H PHE A 27 -6.762 -1.114 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.538 -1.495 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.838 -0.542 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.975 0.713 -6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.546 1.639 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.594 -1.244 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.863 2.189 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.915 -0.706 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.553 1.017 -0.731 1.00 0.00 H new ATOM 415 N PHE A 28 -3.695 -3.272 -5.776 1.00 0.00 N ATOM 416 CA PHE A 28 -3.523 -4.532 -5.088 1.00 0.00 C ATOM 417 C PHE A 28 -2.262 -4.507 -4.248 1.00 0.00 C ATOM 418 O PHE A 28 -1.219 -4.023 -4.689 1.00 0.00 O ATOM 419 CB PHE A 28 -3.465 -5.662 -6.110 1.00 0.00 C ATOM 420 CG PHE A 28 -4.468 -5.486 -7.217 1.00 0.00 C ATOM 421 CD1 PHE A 28 -5.824 -5.551 -6.950 1.00 0.00 C ATOM 422 CD2 PHE A 28 -4.057 -5.246 -8.516 1.00 0.00 C ATOM 423 CE1 PHE A 28 -6.751 -5.385 -7.953 1.00 0.00 C ATOM 424 CE2 PHE A 28 -4.982 -5.077 -9.528 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.331 -5.148 -9.248 1.00 0.00 C ATOM 0 H PHE A 28 -2.937 -3.034 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.369 -4.697 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.463 -5.712 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.645 -6.612 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.160 -5.735 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.002 -5.190 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.806 -5.440 -7.728 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.649 -4.889 -10.538 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.056 -5.019 -10.038 1.00 0.00 H new ATOM 435 N VAL A 29 -2.362 -5.004 -3.031 1.00 0.00 N ATOM 436 CA VAL A 29 -1.222 -5.036 -2.138 1.00 0.00 C ATOM 437 C VAL A 29 -1.062 -6.415 -1.521 1.00 0.00 C ATOM 438 O VAL A 29 -1.986 -6.942 -0.896 1.00 0.00 O ATOM 439 CB VAL A 29 -1.328 -3.949 -1.034 1.00 0.00 C ATOM 440 CG1 VAL A 29 -2.762 -3.495 -0.862 1.00 0.00 C ATOM 441 CG2 VAL A 29 -0.754 -4.419 0.303 1.00 0.00 C ATOM 0 H VAL A 29 -3.220 -5.391 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.334 -4.816 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.726 -3.103 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.812 -2.734 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.127 -3.078 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.381 -4.346 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.852 -3.623 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.299 -5.299 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.299 -4.671 0.179 1.00 0.00 H new ATOM 451 N ASP A 30 0.100 -7.003 -1.742 1.00 0.00 N ATOM 452 CA ASP A 30 0.471 -8.242 -1.072 1.00 0.00 C ATOM 453 C ASP A 30 0.832 -7.905 0.357 1.00 0.00 C ATOM 454 O ASP A 30 1.753 -7.127 0.600 1.00 0.00 O ATOM 455 CB ASP A 30 1.647 -8.916 -1.795 1.00 0.00 C ATOM 456 CG ASP A 30 2.352 -9.979 -0.962 1.00 0.00 C ATOM 457 OD1 ASP A 30 1.737 -10.530 -0.031 1.00 0.00 O ATOM 458 OD2 ASP A 30 3.534 -10.262 -1.244 1.00 0.00 O ATOM 0 H ASP A 30 0.807 -6.643 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.361 -8.946 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.283 -9.372 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.371 -8.153 -2.082 1.00 0.00 H new ATOM 463 N HIS A 31 0.096 -8.460 1.298 1.00 0.00 N ATOM 464 CA HIS A 31 0.232 -8.070 2.691 1.00 0.00 C ATOM 465 C HIS A 31 1.313 -8.873 3.403 1.00 0.00 C ATOM 466 O HIS A 31 1.626 -8.612 4.566 1.00 0.00 O ATOM 467 CB HIS A 31 -1.108 -8.217 3.402 1.00 0.00 C ATOM 468 CG HIS A 31 -1.967 -6.991 3.284 1.00 0.00 C ATOM 469 ND1 HIS A 31 -1.803 -5.874 4.074 1.00 0.00 N ATOM 470 CD2 HIS A 31 -2.978 -6.695 2.431 1.00 0.00 C ATOM 471 CE1 HIS A 31 -2.670 -4.944 3.710 1.00 0.00 C ATOM 472 NE2 HIS A 31 -3.397 -5.415 2.720 1.00 0.00 N ATOM 0 H HIS A 31 -0.603 -9.183 1.126 1.00 0.00 H new ATOM 0 HA HIS A 31 0.540 -7.025 2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.643 -9.071 2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.933 -8.432 4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.381 -7.343 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.765 -3.963 4.151 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -4.148 -4.915 2.244 1.00 0.00 H new ATOM 481 N ILE A 32 1.890 -9.835 2.704 1.00 0.00 N ATOM 482 CA ILE A 32 2.983 -10.613 3.256 1.00 0.00 C ATOM 483 C ILE A 32 4.314 -9.916 2.998 1.00 0.00 C ATOM 484 O ILE A 32 5.172 -9.844 3.878 1.00 0.00 O ATOM 485 CB ILE A 32 3.018 -12.029 2.653 1.00 0.00 C ATOM 486 CG1 ILE A 32 1.617 -12.635 2.681 1.00 0.00 C ATOM 487 CG2 ILE A 32 4.002 -12.911 3.411 1.00 0.00 C ATOM 488 CD1 ILE A 32 1.300 -13.477 1.473 1.00 0.00 C ATOM 0 H ILE A 32 1.620 -10.095 1.755 1.00 0.00 H new ATOM 0 HA ILE A 32 2.820 -10.697 4.331 1.00 0.00 H new ATOM 0 HB ILE A 32 3.354 -11.965 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.513 -13.246 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.884 -11.832 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.012 -13.908 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.000 -12.477 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.699 -12.980 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.289 -13.875 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.372 -12.865 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.010 -14.302 1.408 1.00 0.00 H new ATOM 500 N ASN A 33 4.478 -9.397 1.789 1.00 0.00 N ATOM 501 CA ASN A 33 5.705 -8.695 1.417 1.00 0.00 C ATOM 502 C ASN A 33 5.504 -7.190 1.448 1.00 0.00 C ATOM 503 O ASN A 33 6.450 -6.426 1.259 1.00 0.00 O ATOM 504 CB ASN A 33 6.165 -9.124 0.027 1.00 0.00 C ATOM 505 CG ASN A 33 6.705 -10.528 0.006 1.00 0.00 C ATOM 506 OD1 ASN A 33 7.866 -10.767 0.338 1.00 0.00 O ATOM 507 ND2 ASN A 33 5.873 -11.468 -0.391 1.00 0.00 N ATOM 0 H ASN A 33 3.779 -9.447 1.048 1.00 0.00 H new ATOM 0 HA ASN A 33 6.472 -8.958 2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.329 -9.050 -0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.934 -8.437 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.183 -12.439 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.919 -11.225 -0.657 1.00 0.00 H new ATOM 514 N LYS A 34 4.262 -6.774 1.679 1.00 0.00 N ATOM 515 CA LYS A 34 3.901 -5.360 1.752 1.00 0.00 C ATOM 516 C LYS A 34 4.255 -4.636 0.456 1.00 0.00 C ATOM 517 O LYS A 34 5.031 -3.682 0.455 1.00 0.00 O ATOM 518 CB LYS A 34 4.586 -4.682 2.949 1.00 0.00 C ATOM 519 CG LYS A 34 4.085 -5.173 4.298 1.00 0.00 C ATOM 520 CD LYS A 34 5.077 -6.131 4.940 1.00 0.00 C ATOM 521 CE LYS A 34 5.935 -5.440 5.988 1.00 0.00 C ATOM 522 NZ LYS A 34 7.123 -4.776 5.386 1.00 0.00 N ATOM 0 H LYS A 34 3.476 -7.408 1.821 1.00 0.00 H new ATOM 0 HA LYS A 34 2.822 -5.299 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.661 -4.853 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.430 -3.605 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.918 -4.322 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.124 -5.672 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.537 -6.958 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.719 -6.559 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.335 -4.700 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.264 -6.171 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.681 -4.317 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.710 -5.486 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.810 -4.060 4.700 1.00 0.00 H new ATOM 536 N ARG A 35 3.684 -5.100 -0.649 1.00 0.00 N ATOM 537 CA ARG A 35 3.933 -4.492 -1.951 1.00 0.00 C ATOM 538 C ARG A 35 2.632 -4.015 -2.581 1.00 0.00 C ATOM 539 O ARG A 35 1.711 -4.801 -2.797 1.00 0.00 O ATOM 540 CB ARG A 35 4.649 -5.467 -2.895 1.00 0.00 C ATOM 541 CG ARG A 35 4.577 -6.925 -2.468 1.00 0.00 C ATOM 542 CD ARG A 35 5.290 -7.830 -3.464 1.00 0.00 C ATOM 543 NE ARG A 35 5.017 -9.247 -3.216 1.00 0.00 N ATOM 544 CZ ARG A 35 5.578 -10.249 -3.898 1.00 0.00 C ATOM 545 NH1 ARG A 35 6.472 -9.999 -4.847 1.00 0.00 N ATOM 546 NH2 ARG A 35 5.252 -11.505 -3.621 1.00 0.00 N ATOM 0 H ARG A 35 3.045 -5.895 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 35 4.583 -3.632 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.217 -5.371 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.696 -5.175 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.027 -7.040 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.534 -7.229 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.976 -7.573 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.364 -7.653 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 35 4.357 -9.484 -2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.735 -9.037 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.896 -10.769 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.573 -11.706 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.681 -12.270 -4.142 1.00 0.00 H new ATOM 560 N THR A 36 2.565 -2.722 -2.863 1.00 0.00 N ATOM 561 CA THR A 36 1.381 -2.107 -3.444 1.00 0.00 C ATOM 562 C THR A 36 1.568 -1.871 -4.944 1.00 0.00 C ATOM 563 O THR A 36 2.493 -1.176 -5.358 1.00 0.00 O ATOM 564 CB THR A 36 1.097 -0.758 -2.767 1.00 0.00 C ATOM 565 OG1 THR A 36 2.272 -0.305 -2.074 1.00 0.00 O ATOM 566 CG2 THR A 36 -0.058 -0.872 -1.789 1.00 0.00 C ATOM 0 H THR A 36 3.331 -2.069 -2.695 1.00 0.00 H new ATOM 0 HA THR A 36 0.544 -2.787 -3.287 1.00 0.00 H new ATOM 0 HB THR A 36 0.825 -0.039 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.985 -0.124 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.238 0.097 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.955 -1.191 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.188 -1.604 -1.019 1.00 0.00 H new ATOM 574 N THR A 37 0.705 -2.461 -5.755 1.00 0.00 N ATOM 575 CA THR A 37 0.733 -2.228 -7.190 1.00 0.00 C ATOM 576 C THR A 37 -0.639 -1.778 -7.685 1.00 0.00 C ATOM 577 O THR A 37 -1.664 -2.312 -7.265 1.00 0.00 O ATOM 578 CB THR A 37 1.187 -3.481 -7.978 1.00 0.00 C ATOM 579 OG1 THR A 37 0.936 -3.312 -9.379 1.00 0.00 O ATOM 580 CG2 THR A 37 0.469 -4.728 -7.497 1.00 0.00 C ATOM 0 H THR A 37 -0.023 -3.104 -5.445 1.00 0.00 H new ATOM 0 HA THR A 37 1.464 -1.439 -7.370 1.00 0.00 H new ATOM 0 HB THR A 37 2.257 -3.601 -7.806 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.149 -3.837 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.811 -5.589 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.685 -4.887 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.605 -4.605 -7.633 1.00 0.00 H new ATOM 588 N TYR A 38 -0.658 -0.790 -8.570 1.00 0.00 N ATOM 589 CA TYR A 38 -1.903 -0.313 -9.151 1.00 0.00 C ATOM 590 C TYR A 38 -2.227 -1.106 -10.410 1.00 0.00 C ATOM 591 O TYR A 38 -3.275 -0.924 -11.025 1.00 0.00 O ATOM 592 CB TYR A 38 -1.812 1.184 -9.461 1.00 0.00 C ATOM 593 CG TYR A 38 -1.974 2.056 -8.232 1.00 0.00 C ATOM 594 CD1 TYR A 38 -0.953 2.165 -7.295 1.00 0.00 C ATOM 595 CD2 TYR A 38 -3.150 2.760 -8.000 1.00 0.00 C ATOM 596 CE1 TYR A 38 -1.096 2.949 -6.169 1.00 0.00 C ATOM 597 CE2 TYR A 38 -3.304 3.547 -6.873 1.00 0.00 C ATOM 598 CZ TYR A 38 -2.273 3.637 -5.961 1.00 0.00 C ATOM 599 OH TYR A 38 -2.415 4.417 -4.833 1.00 0.00 O ATOM 0 H TYR A 38 0.176 -0.304 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.707 -0.460 -8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.848 1.395 -9.925 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.580 1.446 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.030 1.626 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.958 2.691 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.290 3.024 -5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.225 4.087 -6.708 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.301 4.836 -4.835 1.00 0.00 H new ATOM 609 N LEU A 39 -1.313 -1.995 -10.780 1.00 0.00 N ATOM 610 CA LEU A 39 -1.524 -2.884 -11.908 1.00 0.00 C ATOM 611 C LEU A 39 -1.806 -4.294 -11.413 1.00 0.00 C ATOM 612 O LEU A 39 -1.411 -4.659 -10.301 1.00 0.00 O ATOM 613 CB LEU A 39 -0.304 -2.890 -12.831 1.00 0.00 C ATOM 614 CG LEU A 39 -0.590 -2.519 -14.288 1.00 0.00 C ATOM 615 CD1 LEU A 39 -1.526 -3.528 -14.935 1.00 0.00 C ATOM 616 CD2 LEU A 39 -1.177 -1.118 -14.382 1.00 0.00 C ATOM 0 H LEU A 39 -0.416 -2.117 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.383 -2.523 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.436 -2.195 -12.434 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.146 -3.883 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 39 0.357 -2.536 -14.828 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.712 -3.240 -15.970 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.068 -4.517 -14.910 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.469 -3.551 -14.389 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.373 -0.875 -15.426 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.109 -1.076 -13.819 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.470 -0.399 -13.968 1.00 0.00 H new ATOM 628 N ASP A 40 -2.466 -5.079 -12.247 1.00 0.00 N ATOM 629 CA ASP A 40 -2.891 -6.425 -11.873 1.00 0.00 C ATOM 630 C ASP A 40 -1.727 -7.410 -11.939 1.00 0.00 C ATOM 631 O ASP A 40 -1.116 -7.592 -12.995 1.00 0.00 O ATOM 632 CB ASP A 40 -4.028 -6.896 -12.785 1.00 0.00 C ATOM 633 CG ASP A 40 -4.912 -7.944 -12.129 1.00 0.00 C ATOM 634 OD1 ASP A 40 -4.377 -8.926 -11.584 1.00 0.00 O ATOM 635 OD2 ASP A 40 -6.153 -7.794 -12.169 1.00 0.00 O ATOM 0 H ASP A 40 -2.723 -4.808 -13.196 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.249 -6.389 -10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.638 -6.039 -13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.606 -7.306 -13.703 1.00 0.00 H new ATOM 640 N PRO A 41 -1.401 -8.066 -10.814 1.00 0.00 N ATOM 641 CA PRO A 41 -0.328 -9.051 -10.745 1.00 0.00 C ATOM 642 C PRO A 41 -0.779 -10.425 -11.246 1.00 0.00 C ATOM 643 O PRO A 41 -0.636 -11.432 -10.552 1.00 0.00 O ATOM 644 CB PRO A 41 0.017 -9.116 -9.248 1.00 0.00 C ATOM 645 CG PRO A 41 -0.927 -8.183 -8.553 1.00 0.00 C ATOM 646 CD PRO A 41 -2.047 -7.903 -9.512 1.00 0.00 C ATOM 0 HA PRO A 41 0.518 -8.773 -11.374 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.092 -10.132 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.052 -8.821 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.307 -8.631 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.420 -7.260 -8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.876 -8.598 -9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.450 -6.899 -9.382 1.00 0.00 H new ATOM 654 N ARG A 42 -1.321 -10.458 -12.456 1.00 0.00 N ATOM 655 CA ARG A 42 -1.840 -11.695 -13.021 1.00 0.00 C ATOM 656 C ARG A 42 -1.132 -12.056 -14.322 1.00 0.00 C ATOM 657 O ARG A 42 -0.768 -13.212 -14.534 1.00 0.00 O ATOM 658 CB ARG A 42 -3.343 -11.570 -13.262 1.00 0.00 C ATOM 659 CG ARG A 42 -4.141 -12.772 -12.781 1.00 0.00 C ATOM 660 CD ARG A 42 -4.744 -12.528 -11.406 1.00 0.00 C ATOM 661 NE ARG A 42 -5.511 -11.286 -11.363 1.00 0.00 N ATOM 662 CZ ARG A 42 -6.839 -11.225 -11.353 1.00 0.00 C ATOM 663 NH1 ARG A 42 -7.564 -12.340 -11.373 1.00 0.00 N ATOM 664 NH2 ARG A 42 -7.439 -10.043 -11.332 1.00 0.00 N ATOM 0 H ARG A 42 -1.412 -9.644 -13.064 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.652 -12.494 -12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.710 -10.676 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.521 -11.430 -14.328 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.936 -12.991 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.494 -13.649 -12.745 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.391 -13.364 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.949 -12.490 -10.662 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.994 -10.407 -11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.101 -13.249 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.583 -12.286 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.882 -9.188 -11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.457 -9.988 -11.324 1.00 0.00 H new ATOM 678 N LEU A 43 -0.948 -11.068 -15.194 1.00 0.00 N ATOM 679 CA LEU A 43 -0.368 -11.291 -16.514 1.00 0.00 C ATOM 680 C LEU A 43 1.029 -11.906 -16.429 1.00 0.00 C ATOM 681 O LEU A 43 1.207 -13.105 -16.649 1.00 0.00 O ATOM 682 CB LEU A 43 -0.307 -9.966 -17.284 1.00 0.00 C ATOM 683 CG LEU A 43 -1.562 -9.085 -17.217 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.837 -9.916 -17.212 1.00 0.00 C ATOM 685 CD2 LEU A 43 -1.510 -8.158 -16.010 1.00 0.00 C ATOM 0 H LEU A 43 -1.195 -10.096 -15.007 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.008 -11.998 -17.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.537 -9.389 -16.907 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.099 -10.187 -18.331 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.579 -8.472 -18.118 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.702 -9.255 -17.164 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.886 -10.512 -18.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.837 -10.577 -16.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.410 -7.544 -15.984 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.449 -8.751 -15.098 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.633 -7.514 -16.083 1.00 0.00 H new ATOM 697 N ALA A 44 2.017 -11.083 -16.103 1.00 0.00 N ATOM 698 CA ALA A 44 3.401 -11.537 -16.052 1.00 0.00 C ATOM 699 C ALA A 44 3.859 -11.760 -14.618 1.00 0.00 C ATOM 700 O ALA A 44 5.050 -11.936 -14.351 1.00 0.00 O ATOM 701 CB ALA A 44 4.308 -10.525 -16.730 1.00 0.00 C ATOM 0 H ALA A 44 1.886 -10.099 -15.870 1.00 0.00 H new ATOM 0 HA ALA A 44 3.460 -12.489 -16.580 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.340 -10.874 -16.686 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.008 -10.408 -17.771 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.228 -9.565 -16.220 1.00 0.00 H new ATOM 707 N PHE A 45 2.914 -11.748 -13.700 1.00 0.00 N ATOM 708 CA PHE A 45 3.235 -11.873 -12.290 1.00 0.00 C ATOM 709 C PHE A 45 2.604 -13.113 -11.688 1.00 0.00 C ATOM 710 O PHE A 45 1.431 -13.406 -11.927 1.00 0.00 O ATOM 711 CB PHE A 45 2.775 -10.633 -11.525 1.00 0.00 C ATOM 712 CG PHE A 45 3.235 -9.340 -12.136 1.00 0.00 C ATOM 713 CD1 PHE A 45 4.523 -8.875 -11.924 1.00 0.00 C ATOM 714 CD2 PHE A 45 2.378 -8.585 -12.928 1.00 0.00 C ATOM 715 CE1 PHE A 45 4.949 -7.690 -12.491 1.00 0.00 C ATOM 716 CE2 PHE A 45 2.801 -7.398 -13.495 1.00 0.00 C ATOM 717 CZ PHE A 45 4.086 -6.949 -13.277 1.00 0.00 C ATOM 0 H PHE A 45 1.919 -11.653 -13.903 1.00 0.00 H new ATOM 0 HA PHE A 45 4.318 -11.965 -12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.686 -10.633 -11.473 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.143 -10.692 -10.501 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.202 -9.446 -11.308 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.370 -8.930 -13.102 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.957 -7.342 -12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.125 -6.822 -14.109 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.418 -6.021 -13.719 1.00 0.00 H new ATOM 727 N THR A 46 3.399 -13.843 -10.933 1.00 0.00 N ATOM 728 CA THR A 46 2.915 -14.962 -10.152 1.00 0.00 C ATOM 729 C THR A 46 2.923 -14.563 -8.678 1.00 0.00 C ATOM 730 O THR A 46 2.332 -13.550 -8.300 1.00 0.00 O ATOM 731 CB THR A 46 3.802 -16.204 -10.370 1.00 0.00 C ATOM 732 OG1 THR A 46 5.183 -15.812 -10.409 1.00 0.00 O ATOM 733 CG2 THR A 46 3.432 -16.919 -11.658 1.00 0.00 C ATOM 0 H THR A 46 4.401 -13.676 -10.844 1.00 0.00 H new ATOM 0 HA THR A 46 1.903 -15.215 -10.467 1.00 0.00 H new ATOM 0 HB THR A 46 3.641 -16.892 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.744 -16.604 -10.546 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.073 -17.791 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.391 -17.238 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.566 -16.242 -12.502 1.00 0.00 H new ATOM 741 N VAL A 47 3.594 -15.344 -7.848 1.00 0.00 N ATOM 742 CA VAL A 47 3.924 -14.901 -6.507 1.00 0.00 C ATOM 743 C VAL A 47 5.338 -14.325 -6.516 1.00 0.00 C ATOM 744 O VAL A 47 5.786 -13.690 -5.554 1.00 0.00 O ATOM 745 CB VAL A 47 3.802 -16.050 -5.471 1.00 0.00 C ATOM 746 CG1 VAL A 47 5.101 -16.835 -5.348 1.00 0.00 C ATOM 747 CG2 VAL A 47 3.369 -15.500 -4.120 1.00 0.00 C ATOM 0 H VAL A 47 3.919 -16.283 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 47 3.212 -14.133 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 47 3.038 -16.742 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.977 -17.631 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.356 -17.270 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.901 -16.167 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.288 -16.317 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.107 -14.780 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.402 -15.008 -4.221 1.00 0.00 H new ATOM 757 N ASP A 48 6.015 -14.531 -7.643 1.00 0.00 N ATOM 758 CA ASP A 48 7.389 -14.090 -7.830 1.00 0.00 C ATOM 759 C ASP A 48 7.431 -12.900 -8.791 1.00 0.00 C ATOM 760 O ASP A 48 6.567 -12.757 -9.663 1.00 0.00 O ATOM 761 CB ASP A 48 8.235 -15.252 -8.364 1.00 0.00 C ATOM 762 CG ASP A 48 9.656 -14.859 -8.716 1.00 0.00 C ATOM 763 OD1 ASP A 48 10.286 -14.103 -7.943 1.00 0.00 O ATOM 764 OD2 ASP A 48 10.160 -15.319 -9.763 1.00 0.00 O ATOM 0 H ASP A 48 5.622 -15.010 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 48 7.801 -13.770 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.261 -16.045 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.752 -15.665 -9.249 1.00 0.00 H new ATOM 769 N ASP A 49 8.438 -12.054 -8.626 1.00 0.00 N ATOM 770 CA ASP A 49 8.536 -10.807 -9.384 1.00 0.00 C ATOM 771 C ASP A 49 9.283 -11.014 -10.702 1.00 0.00 C ATOM 772 O ASP A 49 9.860 -12.074 -10.943 1.00 0.00 O ATOM 773 CB ASP A 49 9.252 -9.745 -8.547 1.00 0.00 C ATOM 774 CG ASP A 49 8.714 -8.345 -8.781 1.00 0.00 C ATOM 775 OD1 ASP A 49 8.343 -8.019 -9.928 1.00 0.00 O ATOM 776 OD2 ASP A 49 8.664 -7.560 -7.813 1.00 0.00 O ATOM 0 H ASP A 49 9.205 -12.207 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 49 7.525 -10.473 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.153 -9.995 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.317 -9.763 -8.780 1.00 0.00 H new ATOM 781 N ASN A 50 9.271 -9.994 -11.544 1.00 0.00 N ATOM 782 CA ASN A 50 9.967 -10.047 -12.822 1.00 0.00 C ATOM 783 C ASN A 50 11.277 -9.270 -12.733 1.00 0.00 C ATOM 784 O ASN A 50 11.282 -8.094 -12.368 1.00 0.00 O ATOM 785 CB ASN A 50 9.082 -9.472 -13.937 1.00 0.00 C ATOM 786 CG ASN A 50 9.861 -9.165 -15.206 1.00 0.00 C ATOM 787 OD1 ASN A 50 10.115 -8.004 -15.529 1.00 0.00 O ATOM 788 ND2 ASN A 50 10.240 -10.205 -15.938 1.00 0.00 N ATOM 0 H ASN A 50 8.785 -9.115 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 50 10.188 -11.088 -13.059 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.287 -10.182 -14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.602 -8.560 -13.581 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.761 -10.057 -16.802 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.010 -11.152 -15.636 1.00 0.00 H new ATOM 795 N PRO A 51 12.407 -9.917 -13.065 1.00 0.00 N ATOM 796 CA PRO A 51 13.730 -9.288 -13.012 1.00 0.00 C ATOM 797 C PRO A 51 13.986 -8.345 -14.191 1.00 0.00 C ATOM 798 O PRO A 51 15.060 -8.362 -14.794 1.00 0.00 O ATOM 799 CB PRO A 51 14.682 -10.484 -13.070 1.00 0.00 C ATOM 800 CG PRO A 51 13.935 -11.513 -13.848 1.00 0.00 C ATOM 801 CD PRO A 51 12.483 -11.326 -13.506 1.00 0.00 C ATOM 0 HA PRO A 51 13.849 -8.664 -12.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.621 -10.221 -13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.930 -10.843 -12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.102 -11.389 -14.918 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.270 -12.517 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.841 -11.511 -14.367 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.165 -12.010 -12.719 1.00 0.00 H new ATOM 809 N THR A 52 12.986 -7.521 -14.494 1.00 0.00 N ATOM 810 CA THR A 52 13.051 -6.564 -15.591 1.00 0.00 C ATOM 811 C THR A 52 13.401 -7.248 -16.915 1.00 0.00 C ATOM 812 O THR A 52 12.565 -7.933 -17.506 1.00 0.00 O ATOM 813 CB THR A 52 14.062 -5.439 -15.292 1.00 0.00 C ATOM 814 OG1 THR A 52 14.198 -5.269 -13.873 1.00 0.00 O ATOM 815 CG2 THR A 52 13.619 -4.124 -15.920 1.00 0.00 C ATOM 0 H THR A 52 12.104 -7.500 -13.982 1.00 0.00 H new ATOM 0 HA THR A 52 12.059 -6.122 -15.688 1.00 0.00 H new ATOM 0 HB THR A 52 15.022 -5.723 -15.723 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.843 -4.554 -13.689 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.350 -3.348 -15.693 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.541 -4.245 -17.000 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.648 -3.837 -15.516 1.00 0.00 H new ATOM 823 N LYS A 53 14.633 -7.055 -17.371 1.00 0.00 N ATOM 824 CA LYS A 53 15.105 -7.625 -18.625 1.00 0.00 C ATOM 825 C LYS A 53 16.615 -7.442 -18.723 1.00 0.00 C ATOM 826 O LYS A 53 17.192 -6.686 -17.939 1.00 0.00 O ATOM 827 CB LYS A 53 14.405 -6.955 -19.817 1.00 0.00 C ATOM 828 CG LYS A 53 14.535 -5.440 -19.837 1.00 0.00 C ATOM 829 CD LYS A 53 13.330 -4.787 -20.500 1.00 0.00 C ATOM 830 CE LYS A 53 12.301 -4.343 -19.471 1.00 0.00 C ATOM 831 NZ LYS A 53 10.954 -4.907 -19.745 1.00 0.00 N ATOM 0 H LYS A 53 15.333 -6.498 -16.880 1.00 0.00 H new ATOM 0 HA LYS A 53 14.868 -8.689 -18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.819 -7.357 -20.742 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.348 -7.219 -19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.637 -5.069 -18.817 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.443 -5.158 -20.371 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.656 -3.927 -21.084 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.871 -5.489 -21.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.627 -4.651 -18.478 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.243 -3.255 -19.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.286 -4.578 -19.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.630 -4.593 -20.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.002 -5.946 -19.726 1.00 0.00 H new ATOM 845 N PRO A 54 17.284 -8.148 -19.649 1.00 0.00 N ATOM 846 CA PRO A 54 18.723 -7.975 -19.873 1.00 0.00 C ATOM 847 C PRO A 54 19.086 -6.526 -20.199 1.00 0.00 C ATOM 848 O PRO A 54 20.093 -6.024 -19.656 1.00 0.00 O ATOM 849 CB PRO A 54 19.007 -8.883 -21.075 1.00 0.00 C ATOM 850 CG PRO A 54 17.923 -9.902 -21.046 1.00 0.00 C ATOM 851 CD PRO A 54 16.709 -9.189 -20.522 1.00 0.00 C ATOM 852 OXT PRO A 54 18.360 -5.895 -20.995 1.00 0.00 O ATOM 0 HA PRO A 54 19.308 -8.224 -18.988 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.995 -8.319 -22.008 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.990 -9.348 -20.996 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.740 -10.307 -22.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.192 -10.741 -20.404 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.116 -8.757 -21.328 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.053 -9.862 -19.969 1.00 0.00 H new TER 860 PRO A 54