USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 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 Set 1.1: A 50 ASN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -115:sc= 0.918 (180deg=-0.125) 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= -4.17! K(o=-4.2!,f=-0.67) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.11 K(o=1.1,f=-0.044) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 31 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-2.3!) USER MOD Single : A 33 ASN : amide:sc= 1.15 K(o=1.1,f=-0.067) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 37 THR OG1 : rot -101:sc= 1.63 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 81:sc= 0.119 USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= 1.21 (180deg=-0.531) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.577 -8.876 -11.182 1.00 0.00 N ATOM 2 CA GLY A 1 -22.703 -8.820 -12.379 1.00 0.00 C ATOM 3 C GLY A 1 -23.500 -8.947 -13.660 1.00 0.00 C ATOM 4 O GLY A 1 -24.259 -9.902 -13.835 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.997 -8.786 -10.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.265 -8.097 -11.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.083 -9.784 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.153 -7.879 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.965 -9.620 -12.329 1.00 0.00 H new ATOM 10 N SER A 2 -23.323 -7.993 -14.564 1.00 0.00 N ATOM 11 CA SER A 2 -24.076 -7.967 -15.807 1.00 0.00 C ATOM 12 C SER A 2 -23.144 -7.755 -17.002 1.00 0.00 C ATOM 13 O SER A 2 -23.028 -8.620 -17.866 1.00 0.00 O ATOM 14 CB SER A 2 -25.134 -6.864 -15.747 1.00 0.00 C ATOM 15 OG SER A 2 -24.977 -6.083 -14.570 1.00 0.00 O ATOM 0 H SER A 2 -22.661 -7.224 -14.457 1.00 0.00 H new ATOM 0 HA SER A 2 -24.573 -8.928 -15.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.052 -6.226 -16.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.130 -7.307 -15.766 1.00 0.00 H new ATOM 0 HG SER A 2 -25.661 -5.381 -14.549 1.00 0.00 H new ATOM 21 N ALA A 3 -22.472 -6.607 -17.032 1.00 0.00 N ATOM 22 CA ALA A 3 -21.571 -6.279 -18.133 1.00 0.00 C ATOM 23 C ALA A 3 -20.284 -7.092 -18.046 1.00 0.00 C ATOM 24 O ALA A 3 -19.580 -7.052 -17.037 1.00 0.00 O ATOM 25 CB ALA A 3 -21.262 -4.790 -18.134 1.00 0.00 C ATOM 0 H ALA A 3 -22.534 -5.890 -16.309 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.068 -6.535 -19.069 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.589 -4.559 -18.960 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -22.188 -4.226 -18.251 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -20.787 -4.516 -17.192 1.00 0.00 H new ATOM 31 N LYS A 4 -19.987 -7.829 -19.108 1.00 0.00 N ATOM 32 CA LYS A 4 -18.802 -8.674 -19.147 1.00 0.00 C ATOM 33 C LYS A 4 -17.556 -7.856 -19.479 1.00 0.00 C ATOM 34 O LYS A 4 -17.576 -7.003 -20.368 1.00 0.00 O ATOM 35 CB LYS A 4 -18.985 -9.792 -20.178 1.00 0.00 C ATOM 36 CG LYS A 4 -19.186 -11.168 -19.559 1.00 0.00 C ATOM 37 CD LYS A 4 -20.559 -11.308 -18.920 1.00 0.00 C ATOM 38 CE LYS A 4 -21.636 -11.581 -19.960 1.00 0.00 C ATOM 39 NZ LYS A 4 -22.820 -10.710 -19.762 1.00 0.00 N ATOM 0 H LYS A 4 -20.553 -7.858 -19.956 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.668 -9.116 -18.160 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.844 -9.557 -20.807 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.111 -9.820 -20.829 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.063 -11.933 -20.326 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.416 -11.344 -18.808 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.541 -12.119 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.802 -10.396 -18.375 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.228 -11.420 -20.958 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.939 -12.626 -19.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.642 -11.294 -19.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.628 -10.032 -18.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.021 -10.193 -20.641 1.00 0.00 H new ATOM 53 N ARG A 5 -16.480 -8.122 -18.753 1.00 0.00 N ATOM 54 CA ARG A 5 -15.197 -7.475 -18.993 1.00 0.00 C ATOM 55 C ARG A 5 -14.087 -8.519 -18.942 1.00 0.00 C ATOM 56 O ARG A 5 -13.214 -8.471 -18.071 1.00 0.00 O ATOM 57 CB ARG A 5 -14.944 -6.379 -17.949 1.00 0.00 C ATOM 58 CG ARG A 5 -14.448 -5.072 -18.545 1.00 0.00 C ATOM 59 CD ARG A 5 -13.033 -4.753 -18.093 1.00 0.00 C ATOM 60 NE ARG A 5 -12.041 -5.561 -18.804 1.00 0.00 N ATOM 61 CZ ARG A 5 -10.959 -6.098 -18.236 1.00 0.00 C ATOM 62 NH1 ARG A 5 -10.671 -5.853 -16.963 1.00 0.00 N ATOM 63 NH2 ARG A 5 -10.155 -6.862 -18.957 1.00 0.00 N ATOM 0 H ARG A 5 -16.471 -8.791 -17.983 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.211 -7.010 -19.979 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.867 -6.191 -17.401 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.212 -6.740 -17.226 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.478 -5.133 -19.633 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.116 -4.261 -18.252 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.828 -3.696 -18.260 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.945 -4.930 -17.021 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.186 -5.725 -19.800 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.279 -5.249 -16.410 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.842 -6.268 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.364 -7.037 -19.940 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.326 -7.276 -18.530 1.00 0.00 H new ATOM 77 N LYS A 6 -14.146 -9.468 -19.881 1.00 0.00 N ATOM 78 CA LYS A 6 -13.237 -10.614 -19.902 1.00 0.00 C ATOM 79 C LYS A 6 -13.215 -11.271 -18.531 1.00 0.00 C ATOM 80 O LYS A 6 -12.159 -11.453 -17.920 1.00 0.00 O ATOM 81 CB LYS A 6 -11.825 -10.200 -20.329 1.00 0.00 C ATOM 82 CG LYS A 6 -11.537 -10.446 -21.805 1.00 0.00 C ATOM 83 CD LYS A 6 -12.041 -11.811 -22.261 1.00 0.00 C ATOM 84 CE LYS A 6 -13.165 -11.680 -23.279 1.00 0.00 C ATOM 85 NZ LYS A 6 -12.673 -11.830 -24.673 1.00 0.00 N ATOM 0 H LYS A 6 -14.823 -9.462 -20.644 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.600 -11.331 -20.638 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.685 -9.141 -20.112 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.098 -10.748 -19.729 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.009 -9.666 -22.402 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.464 -10.377 -21.982 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.218 -12.377 -22.697 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.394 -12.376 -21.398 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.925 -12.436 -23.079 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.645 -10.708 -23.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.470 -11.734 -25.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.966 -11.094 -24.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.238 -12.768 -24.789 1.00 0.00 H new ATOM 99 N ARG A 7 -14.400 -11.622 -18.056 1.00 0.00 N ATOM 100 CA ARG A 7 -14.573 -12.074 -16.685 1.00 0.00 C ATOM 101 C ARG A 7 -14.258 -13.555 -16.536 1.00 0.00 C ATOM 102 O ARG A 7 -15.149 -14.370 -16.297 1.00 0.00 O ATOM 103 CB ARG A 7 -15.991 -11.774 -16.200 1.00 0.00 C ATOM 104 CG ARG A 7 -16.088 -10.505 -15.373 1.00 0.00 C ATOM 105 CD ARG A 7 -16.867 -10.732 -14.085 1.00 0.00 C ATOM 106 NE ARG A 7 -18.295 -10.912 -14.336 1.00 0.00 N ATOM 107 CZ ARG A 7 -19.148 -9.910 -14.548 1.00 0.00 C ATOM 108 NH1 ARG A 7 -18.736 -8.650 -14.483 1.00 0.00 N ATOM 109 NH2 ARG A 7 -20.420 -10.171 -14.814 1.00 0.00 N ATOM 0 H ARG A 7 -15.260 -11.602 -18.604 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.865 -11.525 -16.064 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.652 -11.688 -17.063 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.350 -12.615 -15.606 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.086 -10.148 -15.134 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.573 -9.724 -15.959 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.475 -11.611 -13.574 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.720 -9.883 -13.417 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.662 -11.864 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.760 -8.443 -14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.395 -7.889 -14.647 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.744 -11.137 -14.856 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.074 -9.406 -14.977 1.00 0.00 H new ATOM 123 N VAL A 8 -12.989 -13.897 -16.699 1.00 0.00 N ATOM 124 CA VAL A 8 -12.517 -15.233 -16.380 1.00 0.00 C ATOM 125 C VAL A 8 -12.270 -15.320 -14.879 1.00 0.00 C ATOM 126 O VAL A 8 -12.193 -16.404 -14.304 1.00 0.00 O ATOM 127 CB VAL A 8 -11.232 -15.596 -17.154 1.00 0.00 C ATOM 128 CG1 VAL A 8 -11.478 -15.540 -18.655 1.00 0.00 C ATOM 129 CG2 VAL A 8 -10.083 -14.674 -16.765 1.00 0.00 C ATOM 0 H VAL A 8 -12.268 -13.267 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.281 -15.949 -16.681 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.953 -16.615 -16.887 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.561 -15.799 -19.184 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.263 -16.248 -18.922 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.787 -14.533 -18.936 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.189 -14.951 -17.324 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.350 -13.643 -16.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.886 -14.768 -15.697 1.00 0.00 H new ATOM 139 N ALA A 9 -12.152 -14.142 -14.265 1.00 0.00 N ATOM 140 CA ALA A 9 -12.032 -14.006 -12.819 1.00 0.00 C ATOM 141 C ALA A 9 -10.732 -14.606 -12.297 1.00 0.00 C ATOM 142 O ALA A 9 -10.738 -15.478 -11.424 1.00 0.00 O ATOM 143 CB ALA A 9 -13.236 -14.613 -12.112 1.00 0.00 C ATOM 0 H ALA A 9 -12.137 -13.252 -14.763 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.008 -12.939 -12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.121 -14.498 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.143 -14.104 -12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.307 -15.672 -12.358 1.00 0.00 H new ATOM 149 N GLY A 10 -9.616 -14.141 -12.841 1.00 0.00 N ATOM 150 CA GLY A 10 -8.326 -14.482 -12.283 1.00 0.00 C ATOM 151 C GLY A 10 -8.002 -13.566 -11.127 1.00 0.00 C ATOM 152 O GLY A 10 -7.302 -12.569 -11.293 1.00 0.00 O ATOM 0 H GLY A 10 -9.583 -13.533 -13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.329 -15.519 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.556 -14.399 -13.050 1.00 0.00 H new ATOM 156 N ASP A 11 -8.537 -13.895 -9.959 1.00 0.00 N ATOM 157 CA ASP A 11 -8.463 -13.014 -8.808 1.00 0.00 C ATOM 158 C ASP A 11 -7.081 -13.041 -8.179 1.00 0.00 C ATOM 159 O ASP A 11 -6.146 -13.647 -8.710 1.00 0.00 O ATOM 160 CB ASP A 11 -9.525 -13.405 -7.775 1.00 0.00 C ATOM 161 CG ASP A 11 -10.074 -12.207 -7.026 1.00 0.00 C ATOM 162 OD1 ASP A 11 -9.483 -11.832 -5.991 1.00 0.00 O ATOM 163 OD2 ASP A 11 -11.094 -11.640 -7.469 1.00 0.00 O ATOM 0 H ASP A 11 -9.029 -14.772 -9.786 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.655 -11.997 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.343 -13.922 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.093 -14.108 -7.063 1.00 0.00 H new ATOM 168 N LEU A 12 -6.963 -12.402 -7.033 1.00 0.00 N ATOM 169 CA LEU A 12 -5.684 -12.245 -6.375 1.00 0.00 C ATOM 170 C LEU A 12 -5.362 -13.440 -5.493 1.00 0.00 C ATOM 171 O LEU A 12 -6.262 -14.118 -4.991 1.00 0.00 O ATOM 172 CB LEU A 12 -5.673 -10.978 -5.520 1.00 0.00 C ATOM 173 CG LEU A 12 -6.210 -9.723 -6.200 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.433 -8.632 -5.167 1.00 0.00 C ATOM 175 CD2 LEU A 12 -5.246 -9.248 -7.276 1.00 0.00 C ATOM 0 H LEU A 12 -7.746 -11.980 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.927 -12.170 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.260 -11.162 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.649 -10.786 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.162 -9.959 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.817 -7.738 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.154 -8.975 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.489 -8.398 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.644 -8.352 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.280 -9.021 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.122 -10.031 -8.024 1.00 0.00 H new ATOM 187 N PRO A 13 -4.064 -13.716 -5.325 1.00 0.00 N ATOM 188 CA PRO A 13 -3.566 -14.694 -4.351 1.00 0.00 C ATOM 189 C PRO A 13 -3.978 -14.331 -2.924 1.00 0.00 C ATOM 190 O PRO A 13 -4.561 -13.268 -2.689 1.00 0.00 O ATOM 191 CB PRO A 13 -2.039 -14.610 -4.510 1.00 0.00 C ATOM 192 CG PRO A 13 -1.832 -14.059 -5.877 1.00 0.00 C ATOM 193 CD PRO A 13 -2.970 -13.109 -6.101 1.00 0.00 C ATOM 0 HA PRO A 13 -3.966 -15.693 -4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.597 -13.964 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.575 -15.591 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.873 -13.547 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.830 -14.853 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.733 -12.105 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.223 -13.024 -7.158 1.00 0.00 H new ATOM 201 N TYR A 14 -3.651 -15.197 -1.976 1.00 0.00 N ATOM 202 CA TYR A 14 -4.097 -15.034 -0.597 1.00 0.00 C ATOM 203 C TYR A 14 -3.504 -13.773 0.032 1.00 0.00 C ATOM 204 O TYR A 14 -4.187 -13.052 0.764 1.00 0.00 O ATOM 205 CB TYR A 14 -3.722 -16.283 0.211 1.00 0.00 C ATOM 206 CG TYR A 14 -3.419 -16.018 1.669 1.00 0.00 C ATOM 207 CD1 TYR A 14 -4.440 -15.954 2.612 1.00 0.00 C ATOM 208 CD2 TYR A 14 -2.115 -15.829 2.101 1.00 0.00 C ATOM 209 CE1 TYR A 14 -4.164 -15.708 3.942 1.00 0.00 C ATOM 210 CE2 TYR A 14 -1.833 -15.583 3.429 1.00 0.00 C ATOM 211 CZ TYR A 14 -2.860 -15.525 4.344 1.00 0.00 C ATOM 212 OH TYR A 14 -2.580 -15.284 5.670 1.00 0.00 O ATOM 0 H TYR A 14 -3.076 -16.024 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.181 -14.917 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.540 -17.001 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.851 -16.750 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.463 -16.099 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.307 -15.875 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.966 -15.659 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.812 -15.437 3.749 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.613 -15.179 5.786 1.00 0.00 H new ATOM 222 N GLY A 15 -2.238 -13.507 -0.258 1.00 0.00 N ATOM 223 CA GLY A 15 -1.574 -12.353 0.309 1.00 0.00 C ATOM 224 C GLY A 15 -2.120 -11.038 -0.214 1.00 0.00 C ATOM 225 O GLY A 15 -2.100 -10.026 0.489 1.00 0.00 O ATOM 0 H GLY A 15 -1.658 -14.073 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.678 -12.377 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.508 -12.410 0.090 1.00 0.00 H new ATOM 229 N TRP A 16 -2.618 -11.055 -1.440 1.00 0.00 N ATOM 230 CA TRP A 16 -3.051 -9.840 -2.114 1.00 0.00 C ATOM 231 C TRP A 16 -4.457 -9.410 -1.721 1.00 0.00 C ATOM 232 O TRP A 16 -5.396 -10.212 -1.701 1.00 0.00 O ATOM 233 CB TRP A 16 -2.967 -10.036 -3.618 1.00 0.00 C ATOM 234 CG TRP A 16 -1.560 -10.181 -4.094 1.00 0.00 C ATOM 235 CD1 TRP A 16 -0.839 -11.330 -4.185 1.00 0.00 C ATOM 236 CD2 TRP A 16 -0.698 -9.132 -4.525 1.00 0.00 C ATOM 237 NE1 TRP A 16 0.416 -11.064 -4.657 1.00 0.00 N ATOM 238 CE2 TRP A 16 0.531 -9.715 -4.873 1.00 0.00 C ATOM 239 CE3 TRP A 16 -0.853 -7.757 -4.651 1.00 0.00 C ATOM 240 CZ2 TRP A 16 1.604 -8.961 -5.346 1.00 0.00 C ATOM 241 CZ3 TRP A 16 0.206 -7.009 -5.113 1.00 0.00 C ATOM 242 CH2 TRP A 16 1.422 -7.611 -5.458 1.00 0.00 C ATOM 0 H TRP A 16 -2.733 -11.904 -1.993 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.381 -9.040 -1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -3.536 -10.922 -3.899 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.432 -9.187 -4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.205 -12.312 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 16 1.147 -11.756 -4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.788 -7.283 -4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 2.542 -9.425 -5.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.097 -5.939 -5.211 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.233 -6.996 -5.820 1.00 0.00 H new ATOM 253 N GLU A 17 -4.586 -8.131 -1.413 1.00 0.00 N ATOM 254 CA GLU A 17 -5.872 -7.526 -1.124 1.00 0.00 C ATOM 255 C GLU A 17 -6.203 -6.483 -2.184 1.00 0.00 C ATOM 256 O GLU A 17 -5.315 -5.773 -2.660 1.00 0.00 O ATOM 257 CB GLU A 17 -5.852 -6.869 0.256 1.00 0.00 C ATOM 258 CG GLU A 17 -6.732 -7.567 1.278 1.00 0.00 C ATOM 259 CD GLU A 17 -8.086 -6.905 1.415 1.00 0.00 C ATOM 260 OE1 GLU A 17 -8.943 -7.105 0.530 1.00 0.00 O ATOM 261 OE2 GLU A 17 -8.302 -6.176 2.407 1.00 0.00 O ATOM 0 H GLU A 17 -3.800 -7.483 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.634 -8.305 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.827 -6.851 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.175 -5.832 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.867 -8.609 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.231 -7.568 2.246 1.00 0.00 H new ATOM 268 N GLN A 18 -7.471 -6.407 -2.557 1.00 0.00 N ATOM 269 CA GLN A 18 -7.930 -5.408 -3.507 1.00 0.00 C ATOM 270 C GLN A 18 -8.383 -4.162 -2.756 1.00 0.00 C ATOM 271 O GLN A 18 -9.464 -4.134 -2.169 1.00 0.00 O ATOM 272 CB GLN A 18 -9.068 -5.974 -4.361 1.00 0.00 C ATOM 273 CG GLN A 18 -9.619 -4.998 -5.387 1.00 0.00 C ATOM 274 CD GLN A 18 -10.435 -5.688 -6.460 1.00 0.00 C ATOM 275 OE1 GLN A 18 -11.602 -6.024 -6.253 1.00 0.00 O ATOM 276 NE2 GLN A 18 -9.832 -5.902 -7.616 1.00 0.00 N ATOM 0 H GLN A 18 -8.203 -7.029 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.111 -5.137 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.711 -6.865 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.878 -6.290 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.239 -4.257 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.793 -4.459 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.864 -5.609 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.334 -6.360 -8.376 1.00 0.00 H new ATOM 285 N GLU A 19 -7.542 -3.141 -2.764 1.00 0.00 N ATOM 286 CA GLU A 19 -7.814 -1.933 -2.003 1.00 0.00 C ATOM 287 C GLU A 19 -8.124 -0.767 -2.923 1.00 0.00 C ATOM 288 O GLU A 19 -7.926 -0.839 -4.134 1.00 0.00 O ATOM 289 CB GLU A 19 -6.619 -1.568 -1.129 1.00 0.00 C ATOM 290 CG GLU A 19 -5.949 -2.755 -0.467 1.00 0.00 C ATOM 291 CD GLU A 19 -6.043 -2.723 1.041 1.00 0.00 C ATOM 292 OE1 GLU A 19 -6.871 -1.951 1.577 1.00 0.00 O ATOM 293 OE2 GLU A 19 -5.287 -3.465 1.704 1.00 0.00 O ATOM 0 H GLU A 19 -6.667 -3.124 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.681 -2.133 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.884 -1.043 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.947 -0.872 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.406 -3.674 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.899 -2.782 -0.759 1.00 0.00 H new ATOM 300 N THR A 20 -8.607 0.311 -2.334 1.00 0.00 N ATOM 301 CA THR A 20 -8.886 1.527 -3.073 1.00 0.00 C ATOM 302 C THR A 20 -8.119 2.702 -2.483 1.00 0.00 C ATOM 303 O THR A 20 -8.064 2.872 -1.262 1.00 0.00 O ATOM 304 CB THR A 20 -10.387 1.853 -3.077 1.00 0.00 C ATOM 305 OG1 THR A 20 -11.145 0.647 -3.241 1.00 0.00 O ATOM 306 CG2 THR A 20 -10.707 2.825 -4.197 1.00 0.00 C ATOM 0 H THR A 20 -8.816 0.368 -1.337 1.00 0.00 H new ATOM 0 HA THR A 20 -8.563 1.360 -4.101 1.00 0.00 H new ATOM 0 HB THR A 20 -10.653 2.315 -2.126 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.102 0.859 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.774 3.049 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.142 3.746 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.436 2.379 -5.154 1.00 0.00 H new ATOM 314 N ASP A 21 -7.517 3.496 -3.350 1.00 0.00 N ATOM 315 CA ASP A 21 -6.762 4.655 -2.916 1.00 0.00 C ATOM 316 C ASP A 21 -7.693 5.837 -2.678 1.00 0.00 C ATOM 317 O ASP A 21 -8.909 5.736 -2.851 1.00 0.00 O ATOM 318 CB ASP A 21 -5.665 5.003 -3.936 1.00 0.00 C ATOM 319 CG ASP A 21 -6.027 6.163 -4.847 1.00 0.00 C ATOM 320 OD1 ASP A 21 -6.968 6.024 -5.651 1.00 0.00 O ATOM 321 OD2 ASP A 21 -5.380 7.223 -4.743 1.00 0.00 O ATOM 0 H ASP A 21 -7.537 3.358 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.272 4.418 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.747 5.245 -3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.456 4.124 -4.546 1.00 0.00 H new ATOM 326 N GLU A 22 -7.107 6.955 -2.296 1.00 0.00 N ATOM 327 CA GLU A 22 -7.871 8.142 -1.926 1.00 0.00 C ATOM 328 C GLU A 22 -8.493 8.812 -3.150 1.00 0.00 C ATOM 329 O GLU A 22 -9.392 9.641 -3.023 1.00 0.00 O ATOM 330 CB GLU A 22 -6.993 9.146 -1.172 1.00 0.00 C ATOM 331 CG GLU A 22 -5.507 9.000 -1.444 1.00 0.00 C ATOM 332 CD GLU A 22 -4.668 9.802 -0.475 1.00 0.00 C ATOM 333 OE1 GLU A 22 -4.905 11.022 -0.343 1.00 0.00 O ATOM 334 OE2 GLU A 22 -3.770 9.215 0.170 1.00 0.00 O ATOM 0 H GLU A 22 -6.096 7.071 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.676 7.814 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.303 10.156 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.168 9.033 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.229 7.948 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.292 9.324 -2.462 1.00 0.00 H new ATOM 341 N ASN A 23 -8.007 8.455 -4.334 1.00 0.00 N ATOM 342 CA ASN A 23 -8.554 8.977 -5.584 1.00 0.00 C ATOM 343 C ASN A 23 -9.702 8.101 -6.065 1.00 0.00 C ATOM 344 O ASN A 23 -10.417 8.454 -7.005 1.00 0.00 O ATOM 345 CB ASN A 23 -7.480 9.029 -6.673 1.00 0.00 C ATOM 346 CG ASN A 23 -6.449 10.113 -6.437 1.00 0.00 C ATOM 347 OD1 ASN A 23 -6.600 11.242 -6.905 1.00 0.00 O ATOM 348 ND2 ASN A 23 -5.390 9.776 -5.725 1.00 0.00 N ATOM 0 H ASN A 23 -7.232 7.803 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.916 9.987 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.978 8.063 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.958 9.194 -7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.657 10.462 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.304 8.829 -5.355 1.00 0.00 H new ATOM 355 N GLY A 24 -9.854 6.950 -5.430 1.00 0.00 N ATOM 356 CA GLY A 24 -10.880 6.010 -5.822 1.00 0.00 C ATOM 357 C GLY A 24 -10.393 5.063 -6.897 1.00 0.00 C ATOM 358 O GLY A 24 -11.189 4.423 -7.587 1.00 0.00 O ATOM 0 H GLY A 24 -9.279 6.649 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.201 5.438 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.752 6.554 -6.185 1.00 0.00 H new ATOM 362 N GLN A 25 -9.081 4.988 -7.051 1.00 0.00 N ATOM 363 CA GLN A 25 -8.468 4.056 -7.970 1.00 0.00 C ATOM 364 C GLN A 25 -8.145 2.766 -7.239 1.00 0.00 C ATOM 365 O GLN A 25 -7.797 2.790 -6.056 1.00 0.00 O ATOM 366 CB GLN A 25 -7.199 4.656 -8.575 1.00 0.00 C ATOM 367 CG GLN A 25 -7.426 5.341 -9.909 1.00 0.00 C ATOM 368 CD GLN A 25 -7.125 4.439 -11.088 1.00 0.00 C ATOM 369 OE1 GLN A 25 -7.786 3.420 -11.290 1.00 0.00 O ATOM 370 NE2 GLN A 25 -6.127 4.810 -11.870 1.00 0.00 N ATOM 0 H GLN A 25 -8.417 5.571 -6.542 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.164 3.845 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.778 5.376 -7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.459 3.866 -8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.461 5.677 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.798 6.230 -9.968 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.607 5.663 -11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.876 4.244 -12.680 1.00 0.00 H new ATOM 379 N VAL A 26 -8.274 1.643 -7.921 1.00 0.00 N ATOM 380 CA VAL A 26 -8.011 0.365 -7.289 1.00 0.00 C ATOM 381 C VAL A 26 -6.547 -0.004 -7.410 1.00 0.00 C ATOM 382 O VAL A 26 -5.837 0.472 -8.298 1.00 0.00 O ATOM 383 CB VAL A 26 -8.893 -0.774 -7.858 1.00 0.00 C ATOM 384 CG1 VAL A 26 -8.233 -1.463 -9.047 1.00 0.00 C ATOM 385 CG2 VAL A 26 -9.214 -1.785 -6.764 1.00 0.00 C ATOM 0 H VAL A 26 -8.556 1.590 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.268 0.481 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.821 -0.328 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.884 -2.255 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.062 -0.735 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.280 -1.892 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.834 -2.581 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.287 -2.210 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.750 -1.288 -5.955 1.00 0.00 H new ATOM 395 N PHE A 27 -6.110 -0.843 -6.497 1.00 0.00 N ATOM 396 CA PHE A 27 -4.753 -1.349 -6.495 1.00 0.00 C ATOM 397 C PHE A 27 -4.687 -2.586 -5.625 1.00 0.00 C ATOM 398 O PHE A 27 -5.569 -2.820 -4.792 1.00 0.00 O ATOM 399 CB PHE A 27 -3.756 -0.286 -6.006 1.00 0.00 C ATOM 400 CG PHE A 27 -3.941 0.112 -4.570 1.00 0.00 C ATOM 401 CD1 PHE A 27 -4.861 1.083 -4.219 1.00 0.00 C ATOM 402 CD2 PHE A 27 -3.200 -0.495 -3.572 1.00 0.00 C ATOM 403 CE1 PHE A 27 -5.039 1.444 -2.901 1.00 0.00 C ATOM 404 CE2 PHE A 27 -3.377 -0.144 -2.250 1.00 0.00 C ATOM 405 CZ PHE A 27 -4.300 0.832 -1.915 1.00 0.00 C ATOM 0 H PHE A 27 -6.686 -1.195 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.472 -1.605 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.743 -0.665 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.850 0.601 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.447 1.565 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.475 -1.252 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.758 2.207 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.797 -0.629 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.440 1.112 -0.881 1.00 0.00 H new ATOM 415 N PHE A 28 -3.661 -3.376 -5.823 1.00 0.00 N ATOM 416 CA PHE A 28 -3.520 -4.631 -5.114 1.00 0.00 C ATOM 417 C PHE A 28 -2.282 -4.603 -4.241 1.00 0.00 C ATOM 418 O PHE A 28 -1.223 -4.149 -4.670 1.00 0.00 O ATOM 419 CB PHE A 28 -3.446 -5.778 -6.115 1.00 0.00 C ATOM 420 CG PHE A 28 -4.425 -5.632 -7.246 1.00 0.00 C ATOM 421 CD1 PHE A 28 -5.788 -5.737 -7.018 1.00 0.00 C ATOM 422 CD2 PHE A 28 -3.986 -5.384 -8.535 1.00 0.00 C ATOM 423 CE1 PHE A 28 -6.688 -5.602 -8.054 1.00 0.00 C ATOM 424 CE2 PHE A 28 -4.885 -5.248 -9.574 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.237 -5.360 -9.334 1.00 0.00 C ATOM 0 H PHE A 28 -2.903 -3.173 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.387 -4.780 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.436 -5.835 -6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.635 -6.718 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.149 -5.927 -6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.927 -5.296 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.748 -5.686 -7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.528 -5.054 -10.575 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.941 -5.259 -10.146 1.00 0.00 H new ATOM 435 N VAL A 29 -2.416 -5.069 -3.011 1.00 0.00 N ATOM 436 CA VAL A 29 -1.294 -5.096 -2.090 1.00 0.00 C ATOM 437 C VAL A 29 -1.171 -6.457 -1.429 1.00 0.00 C ATOM 438 O VAL A 29 -2.127 -6.962 -0.837 1.00 0.00 O ATOM 439 CB VAL A 29 -1.401 -3.980 -1.015 1.00 0.00 C ATOM 440 CG1 VAL A 29 -2.829 -3.496 -0.877 1.00 0.00 C ATOM 441 CG2 VAL A 29 -0.865 -4.424 0.343 1.00 0.00 C ATOM 0 H VAL A 29 -3.289 -5.433 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.393 -4.907 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.776 -3.156 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.877 -2.715 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.171 -3.096 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.468 -4.328 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.963 -3.607 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.434 -5.285 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.186 -4.698 0.248 1.00 0.00 H new ATOM 451 N ASP A 30 -0.001 -7.057 -1.567 1.00 0.00 N ATOM 452 CA ASP A 30 0.327 -8.264 -0.831 1.00 0.00 C ATOM 453 C ASP A 30 0.660 -7.875 0.597 1.00 0.00 C ATOM 454 O ASP A 30 1.428 -6.943 0.829 1.00 0.00 O ATOM 455 CB ASP A 30 1.505 -9.002 -1.477 1.00 0.00 C ATOM 456 CG ASP A 30 2.223 -9.918 -0.505 1.00 0.00 C ATOM 457 OD1 ASP A 30 1.549 -10.653 0.243 1.00 0.00 O ATOM 458 OD2 ASP A 30 3.468 -9.891 -0.474 1.00 0.00 O ATOM 0 H ASP A 30 0.740 -6.726 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.526 -8.943 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.143 -9.587 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.212 -8.273 -1.874 1.00 0.00 H new ATOM 463 N HIS A 31 0.075 -8.567 1.549 1.00 0.00 N ATOM 464 CA HIS A 31 0.198 -8.176 2.940 1.00 0.00 C ATOM 465 C HIS A 31 1.281 -8.975 3.655 1.00 0.00 C ATOM 466 O HIS A 31 1.540 -8.756 4.840 1.00 0.00 O ATOM 467 CB HIS A 31 -1.149 -8.339 3.637 1.00 0.00 C ATOM 468 CG HIS A 31 -2.099 -7.222 3.325 1.00 0.00 C ATOM 469 ND1 HIS A 31 -2.144 -6.045 4.043 1.00 0.00 N ATOM 470 CD2 HIS A 31 -3.023 -7.091 2.342 1.00 0.00 C ATOM 471 CE1 HIS A 31 -3.053 -5.243 3.520 1.00 0.00 C ATOM 472 NE2 HIS A 31 -3.601 -5.853 2.488 1.00 0.00 N ATOM 0 H HIS A 31 -0.490 -9.401 1.389 1.00 0.00 H new ATOM 0 HA HIS A 31 0.497 -7.129 2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.597 -9.286 3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.993 -8.388 4.715 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -1.564 -5.828 4.853 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.261 -7.823 1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.305 -4.255 3.877 1.00 0.00 H new ATOM 481 N ILE A 32 1.920 -9.889 2.935 1.00 0.00 N ATOM 482 CA ILE A 32 3.005 -10.676 3.500 1.00 0.00 C ATOM 483 C ILE A 32 4.354 -10.014 3.233 1.00 0.00 C ATOM 484 O ILE A 32 5.113 -9.738 4.164 1.00 0.00 O ATOM 485 CB ILE A 32 3.006 -12.110 2.940 1.00 0.00 C ATOM 486 CG1 ILE A 32 1.582 -12.669 2.941 1.00 0.00 C ATOM 487 CG2 ILE A 32 3.930 -12.998 3.755 1.00 0.00 C ATOM 488 CD1 ILE A 32 1.303 -13.630 1.807 1.00 0.00 C ATOM 0 H ILE A 32 1.705 -10.102 1.961 1.00 0.00 H new ATOM 0 HA ILE A 32 2.844 -10.726 4.577 1.00 0.00 H new ATOM 0 HB ILE A 32 3.374 -12.089 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.402 -13.177 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.876 -11.840 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.919 -14.008 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.945 -12.602 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.591 -13.023 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.274 -13.984 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.450 -13.121 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.984 -14.479 1.874 1.00 0.00 H new ATOM 500 N ASN A 33 4.647 -9.747 1.968 1.00 0.00 N ATOM 501 CA ASN A 33 5.904 -9.104 1.594 1.00 0.00 C ATOM 502 C ASN A 33 5.704 -7.602 1.454 1.00 0.00 C ATOM 503 O ASN A 33 6.670 -6.839 1.416 1.00 0.00 O ATOM 504 CB ASN A 33 6.448 -9.685 0.282 1.00 0.00 C ATOM 505 CG ASN A 33 6.461 -11.195 0.265 1.00 0.00 C ATOM 506 OD1 ASN A 33 7.407 -11.833 0.733 1.00 0.00 O ATOM 507 ND2 ASN A 33 5.413 -11.782 -0.273 1.00 0.00 N ATOM 0 H ASN A 33 4.034 -9.964 1.182 1.00 0.00 H new ATOM 0 HA ASN A 33 6.632 -9.296 2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.841 -9.323 -0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.461 -9.317 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.363 -12.800 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.650 -11.219 -0.650 1.00 0.00 H new ATOM 514 N LYS A 34 4.437 -7.198 1.379 1.00 0.00 N ATOM 515 CA LYS A 34 4.045 -5.791 1.316 1.00 0.00 C ATOM 516 C LYS A 34 4.410 -5.156 -0.022 1.00 0.00 C ATOM 517 O LYS A 34 5.330 -4.344 -0.113 1.00 0.00 O ATOM 518 CB LYS A 34 4.656 -4.994 2.475 1.00 0.00 C ATOM 519 CG LYS A 34 3.674 -4.724 3.604 1.00 0.00 C ATOM 520 CD LYS A 34 2.404 -4.060 3.095 1.00 0.00 C ATOM 521 CE LYS A 34 1.908 -2.997 4.058 1.00 0.00 C ATOM 522 NZ LYS A 34 0.996 -2.031 3.396 1.00 0.00 N ATOM 0 H LYS A 34 3.647 -7.843 1.360 1.00 0.00 H new ATOM 0 HA LYS A 34 2.960 -5.759 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.512 -5.540 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.032 -4.044 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.422 -5.662 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.145 -4.085 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.593 -3.610 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.630 -4.814 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.389 -3.474 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.760 -2.462 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.680 -1.322 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.498 -1.556 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.170 -2.537 3.017 1.00 0.00 H new ATOM 536 N ARG A 35 3.687 -5.536 -1.064 1.00 0.00 N ATOM 537 CA ARG A 35 3.855 -4.916 -2.371 1.00 0.00 C ATOM 538 C ARG A 35 2.535 -4.327 -2.848 1.00 0.00 C ATOM 539 O ARG A 35 1.551 -5.047 -3.009 1.00 0.00 O ATOM 540 CB ARG A 35 4.368 -5.915 -3.411 1.00 0.00 C ATOM 541 CG ARG A 35 4.981 -7.180 -2.826 1.00 0.00 C ATOM 542 CD ARG A 35 5.871 -7.884 -3.841 1.00 0.00 C ATOM 543 NE ARG A 35 7.123 -7.158 -4.076 1.00 0.00 N ATOM 544 CZ ARG A 35 7.707 -7.027 -5.269 1.00 0.00 C ATOM 545 NH1 ARG A 35 7.180 -7.594 -6.348 1.00 0.00 N ATOM 546 NH2 ARG A 35 8.836 -6.338 -5.380 1.00 0.00 N ATOM 0 H ARG A 35 2.979 -6.270 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 35 4.596 -4.124 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.542 -6.196 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.113 -5.420 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.565 -6.928 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.188 -7.855 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.097 -8.890 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.332 -7.990 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 35 7.579 -6.724 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.320 -8.137 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.635 -7.487 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.256 -5.910 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.284 -6.237 -6.291 1.00 0.00 H new ATOM 560 N THR A 36 2.522 -3.021 -3.059 1.00 0.00 N ATOM 561 CA THR A 36 1.340 -2.314 -3.541 1.00 0.00 C ATOM 562 C THR A 36 1.493 -1.964 -5.021 1.00 0.00 C ATOM 563 O THR A 36 2.361 -1.171 -5.391 1.00 0.00 O ATOM 564 CB THR A 36 1.144 -1.013 -2.754 1.00 0.00 C ATOM 565 OG1 THR A 36 2.298 -0.765 -1.935 1.00 0.00 O ATOM 566 CG2 THR A 36 -0.087 -1.086 -1.877 1.00 0.00 C ATOM 0 H THR A 36 3.330 -2.418 -2.902 1.00 0.00 H new ATOM 0 HA THR A 36 0.478 -2.967 -3.404 1.00 0.00 H new ATOM 0 HB THR A 36 1.012 -0.200 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.171 0.068 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.201 -0.150 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.967 -1.253 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.019 -1.908 -1.169 1.00 0.00 H new ATOM 574 N THR A 37 0.666 -2.560 -5.858 1.00 0.00 N ATOM 575 CA THR A 37 0.710 -2.298 -7.292 1.00 0.00 C ATOM 576 C THR A 37 -0.668 -1.907 -7.823 1.00 0.00 C ATOM 577 O THR A 37 -1.681 -2.486 -7.428 1.00 0.00 O ATOM 578 CB THR A 37 1.254 -3.514 -8.087 1.00 0.00 C ATOM 579 OG1 THR A 37 0.835 -3.452 -9.456 1.00 0.00 O ATOM 580 CG2 THR A 37 0.781 -4.824 -7.479 1.00 0.00 C ATOM 0 H THR A 37 -0.048 -3.231 -5.573 1.00 0.00 H new ATOM 0 HA THR A 37 1.396 -1.463 -7.437 1.00 0.00 H new ATOM 0 HB THR A 37 2.342 -3.474 -8.038 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.075 -4.055 -9.593 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.178 -5.658 -8.058 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.133 -4.896 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.308 -4.859 -7.493 1.00 0.00 H new ATOM 588 N TYR A 38 -0.702 -0.914 -8.707 1.00 0.00 N ATOM 589 CA TYR A 38 -1.944 -0.502 -9.359 1.00 0.00 C ATOM 590 C TYR A 38 -2.309 -1.462 -10.490 1.00 0.00 C ATOM 591 O TYR A 38 -3.434 -1.449 -10.991 1.00 0.00 O ATOM 592 CB TYR A 38 -1.808 0.913 -9.919 1.00 0.00 C ATOM 593 CG TYR A 38 -2.179 2.004 -8.939 1.00 0.00 C ATOM 594 CD1 TYR A 38 -1.451 2.188 -7.772 1.00 0.00 C ATOM 595 CD2 TYR A 38 -3.246 2.856 -9.187 1.00 0.00 C ATOM 596 CE1 TYR A 38 -1.777 3.189 -6.879 1.00 0.00 C ATOM 597 CE2 TYR A 38 -3.578 3.861 -8.298 1.00 0.00 C ATOM 598 CZ TYR A 38 -2.840 4.025 -7.147 1.00 0.00 C ATOM 599 OH TYR A 38 -3.162 5.029 -6.260 1.00 0.00 O ATOM 0 H TYR A 38 0.118 -0.378 -8.990 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.736 -0.520 -8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.779 1.066 -10.244 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.439 1.004 -10.803 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.616 1.537 -7.559 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.826 2.732 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.202 3.317 -5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.412 4.515 -8.505 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.935 5.528 -6.597 1.00 0.00 H new ATOM 609 N LEU A 39 -1.348 -2.282 -10.889 1.00 0.00 N ATOM 610 CA LEU A 39 -1.554 -3.222 -11.981 1.00 0.00 C ATOM 611 C LEU A 39 -1.772 -4.628 -11.440 1.00 0.00 C ATOM 612 O LEU A 39 -1.325 -4.956 -10.339 1.00 0.00 O ATOM 613 CB LEU A 39 -0.360 -3.199 -12.934 1.00 0.00 C ATOM 614 CG LEU A 39 -0.702 -3.315 -14.426 1.00 0.00 C ATOM 615 CD1 LEU A 39 -0.557 -4.756 -14.894 1.00 0.00 C ATOM 616 CD2 LEU A 39 -2.107 -2.794 -14.712 1.00 0.00 C ATOM 0 H LEU A 39 -0.417 -2.316 -10.473 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.445 -2.922 -12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.190 -2.271 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.310 -4.016 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 39 0.002 -2.697 -14.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.803 -4.821 -15.954 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.470 -5.087 -14.739 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.234 -5.393 -14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.321 -2.889 -15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.833 -3.374 -14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.173 -1.746 -14.421 1.00 0.00 H new ATOM 628 N ASP A 40 -2.447 -5.452 -12.230 1.00 0.00 N ATOM 629 CA ASP A 40 -2.818 -6.802 -11.820 1.00 0.00 C ATOM 630 C ASP A 40 -1.602 -7.728 -11.802 1.00 0.00 C ATOM 631 O ASP A 40 -0.930 -7.911 -12.819 1.00 0.00 O ATOM 632 CB ASP A 40 -3.894 -7.354 -12.761 1.00 0.00 C ATOM 633 CG ASP A 40 -4.093 -8.855 -12.646 1.00 0.00 C ATOM 634 OD1 ASP A 40 -4.042 -9.387 -11.521 1.00 0.00 O ATOM 635 OD2 ASP A 40 -4.319 -9.509 -13.686 1.00 0.00 O ATOM 0 H ASP A 40 -2.753 -5.205 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.217 -6.755 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.839 -6.854 -12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.626 -7.110 -13.789 1.00 0.00 H new ATOM 640 N PRO A 41 -1.312 -8.328 -10.637 1.00 0.00 N ATOM 641 CA PRO A 41 -0.175 -9.237 -10.460 1.00 0.00 C ATOM 642 C PRO A 41 -0.337 -10.545 -11.231 1.00 0.00 C ATOM 643 O PRO A 41 0.591 -11.347 -11.311 1.00 0.00 O ATOM 644 CB PRO A 41 -0.153 -9.513 -8.951 1.00 0.00 C ATOM 645 CG PRO A 41 -1.045 -8.483 -8.341 1.00 0.00 C ATOM 646 CD PRO A 41 -2.064 -8.158 -9.388 1.00 0.00 C ATOM 0 HA PRO A 41 0.746 -8.795 -10.840 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.509 -10.519 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.859 -9.439 -8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.520 -8.863 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.480 -7.596 -8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.923 -8.828 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.445 -7.142 -9.280 1.00 0.00 H new ATOM 654 N ARG A 42 -1.518 -10.767 -11.788 1.00 0.00 N ATOM 655 CA ARG A 42 -1.764 -11.969 -12.569 1.00 0.00 C ATOM 656 C ARG A 42 -1.447 -11.735 -14.043 1.00 0.00 C ATOM 657 O ARG A 42 -1.381 -12.680 -14.828 1.00 0.00 O ATOM 658 CB ARG A 42 -3.216 -12.422 -12.399 1.00 0.00 C ATOM 659 CG ARG A 42 -3.365 -13.760 -11.685 1.00 0.00 C ATOM 660 CD ARG A 42 -2.226 -14.013 -10.705 1.00 0.00 C ATOM 661 NE ARG A 42 -1.533 -15.271 -10.983 1.00 0.00 N ATOM 662 CZ ARG A 42 -0.263 -15.355 -11.393 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.462 -14.256 -11.577 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.280 -16.543 -11.611 1.00 0.00 N ATOM 0 H ARG A 42 -2.316 -10.135 -11.715 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.105 -12.757 -12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.761 -11.661 -11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.682 -12.492 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.315 -13.782 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.395 -14.563 -12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.515 -13.189 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.620 -14.033 -9.689 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.052 -16.140 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.050 -13.339 -11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.430 -14.330 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.270 -17.390 -11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.248 -16.611 -11.924 1.00 0.00 H new ATOM 678 N LEU A 43 -1.239 -10.477 -14.414 1.00 0.00 N ATOM 679 CA LEU A 43 -0.920 -10.141 -15.793 1.00 0.00 C ATOM 680 C LEU A 43 0.570 -10.333 -16.086 1.00 0.00 C ATOM 681 O LEU A 43 1.001 -11.422 -16.461 1.00 0.00 O ATOM 682 CB LEU A 43 -1.340 -8.701 -16.105 1.00 0.00 C ATOM 683 CG LEU A 43 -2.843 -8.482 -16.257 1.00 0.00 C ATOM 684 CD1 LEU A 43 -3.159 -6.996 -16.300 1.00 0.00 C ATOM 685 CD2 LEU A 43 -3.357 -9.176 -17.506 1.00 0.00 C ATOM 0 H LEU A 43 -1.286 -9.678 -13.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.479 -10.820 -16.437 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.973 -8.052 -15.310 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.848 -8.387 -17.026 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.347 -8.916 -15.393 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.234 -6.856 -16.409 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.823 -6.526 -15.376 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.646 -6.539 -17.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.430 -9.010 -17.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.850 -8.771 -18.382 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.160 -10.246 -17.435 1.00 0.00 H new ATOM 697 N ALA A 44 1.355 -9.277 -15.901 1.00 0.00 N ATOM 698 CA ALA A 44 2.769 -9.300 -16.273 1.00 0.00 C ATOM 699 C ALA A 44 3.686 -9.407 -15.062 1.00 0.00 C ATOM 700 O ALA A 44 4.895 -9.205 -15.173 1.00 0.00 O ATOM 701 CB ALA A 44 3.119 -8.060 -17.069 1.00 0.00 C ATOM 0 H ALA A 44 1.039 -8.395 -15.497 1.00 0.00 H new ATOM 0 HA ALA A 44 2.925 -10.190 -16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.174 -8.088 -17.341 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.512 -8.025 -17.974 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.923 -7.173 -16.466 1.00 0.00 H new ATOM 707 N PHE A 45 3.120 -9.731 -13.917 1.00 0.00 N ATOM 708 CA PHE A 45 3.908 -9.840 -12.691 1.00 0.00 C ATOM 709 C PHE A 45 4.340 -11.279 -12.459 1.00 0.00 C ATOM 710 O PHE A 45 4.601 -11.694 -11.331 1.00 0.00 O ATOM 711 CB PHE A 45 3.124 -9.306 -11.492 1.00 0.00 C ATOM 712 CG PHE A 45 3.000 -7.810 -11.484 1.00 0.00 C ATOM 713 CD1 PHE A 45 2.131 -7.173 -12.353 1.00 0.00 C ATOM 714 CD2 PHE A 45 3.755 -7.040 -10.614 1.00 0.00 C ATOM 715 CE1 PHE A 45 2.014 -5.800 -12.357 1.00 0.00 C ATOM 716 CE2 PHE A 45 3.641 -5.662 -10.612 1.00 0.00 C ATOM 717 CZ PHE A 45 2.770 -5.043 -11.485 1.00 0.00 C ATOM 0 H PHE A 45 2.125 -9.924 -13.803 1.00 0.00 H new ATOM 0 HA PHE A 45 4.804 -9.230 -12.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.127 -9.747 -11.493 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.614 -9.628 -10.573 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.537 -7.760 -13.037 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.439 -7.521 -9.931 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.332 -5.317 -13.041 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.233 -5.071 -9.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.680 -3.967 -11.486 1.00 0.00 H new ATOM 727 N THR A 46 4.406 -12.035 -13.545 1.00 0.00 N ATOM 728 CA THR A 46 4.874 -13.405 -13.504 1.00 0.00 C ATOM 729 C THR A 46 6.360 -13.454 -13.164 1.00 0.00 C ATOM 730 O THR A 46 6.793 -14.216 -12.300 1.00 0.00 O ATOM 731 CB THR A 46 4.636 -14.086 -14.863 1.00 0.00 C ATOM 732 OG1 THR A 46 3.939 -13.177 -15.734 1.00 0.00 O ATOM 733 CG2 THR A 46 3.824 -15.361 -14.703 1.00 0.00 C ATOM 0 H THR A 46 4.137 -11.714 -14.475 1.00 0.00 H new ATOM 0 HA THR A 46 4.317 -13.934 -12.731 1.00 0.00 H new ATOM 0 HB THR A 46 5.603 -14.350 -15.292 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.578 -12.547 -16.128 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.672 -15.820 -15.680 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.360 -16.055 -14.055 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.857 -15.123 -14.259 1.00 0.00 H new ATOM 741 N VAL A 47 7.131 -12.612 -13.838 1.00 0.00 N ATOM 742 CA VAL A 47 8.562 -12.528 -13.610 1.00 0.00 C ATOM 743 C VAL A 47 8.911 -11.206 -12.944 1.00 0.00 C ATOM 744 O VAL A 47 8.332 -10.166 -13.270 1.00 0.00 O ATOM 745 CB VAL A 47 9.367 -12.653 -14.924 1.00 0.00 C ATOM 746 CG1 VAL A 47 9.813 -14.088 -15.147 1.00 0.00 C ATOM 747 CG2 VAL A 47 8.559 -12.150 -16.112 1.00 0.00 C ATOM 0 H VAL A 47 6.783 -11.973 -14.553 1.00 0.00 H new ATOM 0 HA VAL A 47 8.831 -13.361 -12.961 1.00 0.00 H new ATOM 0 HB VAL A 47 10.255 -12.028 -14.833 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.378 -14.153 -16.077 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.443 -14.406 -14.317 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.938 -14.736 -15.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.150 -12.250 -17.022 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.646 -12.738 -16.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.302 -11.102 -15.960 1.00 0.00 H new ATOM 757 N ASP A 48 9.844 -11.255 -12.006 1.00 0.00 N ATOM 758 CA ASP A 48 10.313 -10.056 -11.321 1.00 0.00 C ATOM 759 C ASP A 48 11.184 -9.232 -12.261 1.00 0.00 C ATOM 760 O ASP A 48 12.397 -9.446 -12.355 1.00 0.00 O ATOM 761 CB ASP A 48 11.087 -10.439 -10.057 1.00 0.00 C ATOM 762 CG ASP A 48 11.674 -9.241 -9.337 1.00 0.00 C ATOM 763 OD1 ASP A 48 11.033 -8.171 -9.323 1.00 0.00 O ATOM 764 OD2 ASP A 48 12.780 -9.371 -8.771 1.00 0.00 O ATOM 0 H ASP A 48 10.295 -12.117 -11.699 1.00 0.00 H new ATOM 0 HA ASP A 48 9.455 -9.453 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.422 -10.974 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.891 -11.126 -10.324 1.00 0.00 H new ATOM 769 N ASP A 49 10.535 -8.314 -12.975 1.00 0.00 N ATOM 770 CA ASP A 49 11.183 -7.486 -13.992 1.00 0.00 C ATOM 771 C ASP A 49 11.801 -8.357 -15.086 1.00 0.00 C ATOM 772 O ASP A 49 11.080 -9.029 -15.828 1.00 0.00 O ATOM 773 CB ASP A 49 12.237 -6.556 -13.369 1.00 0.00 C ATOM 774 CG ASP A 49 12.785 -5.561 -14.372 1.00 0.00 C ATOM 775 OD1 ASP A 49 11.987 -4.847 -15.014 1.00 0.00 O ATOM 776 OD2 ASP A 49 14.016 -5.503 -14.540 1.00 0.00 O ATOM 0 H ASP A 49 9.539 -8.122 -12.864 1.00 0.00 H new ATOM 0 HA ASP A 49 10.418 -6.858 -14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.795 -6.018 -12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.056 -7.154 -12.968 1.00 0.00 H new ATOM 781 N ASN A 50 13.124 -8.359 -15.178 1.00 0.00 N ATOM 782 CA ASN A 50 13.826 -9.137 -16.188 1.00 0.00 C ATOM 783 C ASN A 50 15.306 -9.258 -15.842 1.00 0.00 C ATOM 784 O ASN A 50 15.979 -8.255 -15.614 1.00 0.00 O ATOM 785 CB ASN A 50 13.674 -8.497 -17.570 1.00 0.00 C ATOM 786 CG ASN A 50 13.090 -9.460 -18.585 1.00 0.00 C ATOM 787 OD1 ASN A 50 13.794 -9.964 -19.457 1.00 0.00 O ATOM 788 ND2 ASN A 50 11.800 -9.722 -18.475 1.00 0.00 N ATOM 0 H ASN A 50 13.736 -7.826 -14.560 1.00 0.00 H new ATOM 0 HA ASN A 50 13.383 -10.133 -16.208 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.033 -7.619 -17.494 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.647 -8.151 -17.918 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.352 -10.364 -19.129 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.251 -9.282 -17.736 1.00 0.00 H new ATOM 795 N PRO A 51 15.829 -10.493 -15.782 1.00 0.00 N ATOM 796 CA PRO A 51 17.245 -10.743 -15.488 1.00 0.00 C ATOM 797 C PRO A 51 18.158 -10.387 -16.664 1.00 0.00 C ATOM 798 O PRO A 51 19.381 -10.305 -16.515 1.00 0.00 O ATOM 799 CB PRO A 51 17.291 -12.245 -15.203 1.00 0.00 C ATOM 800 CG PRO A 51 16.139 -12.813 -15.961 1.00 0.00 C ATOM 801 CD PRO A 51 15.076 -11.748 -15.982 1.00 0.00 C ATOM 0 HA PRO A 51 17.603 -10.130 -14.661 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.234 -12.681 -15.532 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.201 -12.448 -14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 51 16.437 -13.084 -16.974 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.770 -13.721 -15.483 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.534 -11.743 -16.928 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.340 -11.902 -15.193 1.00 0.00 H new ATOM 809 N THR A 52 17.562 -10.181 -17.830 1.00 0.00 N ATOM 810 CA THR A 52 18.314 -9.804 -19.017 1.00 0.00 C ATOM 811 C THR A 52 18.608 -8.305 -19.011 1.00 0.00 C ATOM 812 O THR A 52 18.008 -7.534 -19.762 1.00 0.00 O ATOM 813 CB THR A 52 17.550 -10.177 -20.298 1.00 0.00 C ATOM 814 OG1 THR A 52 16.899 -11.442 -20.113 1.00 0.00 O ATOM 815 CG2 THR A 52 18.487 -10.255 -21.496 1.00 0.00 C ATOM 0 H THR A 52 16.557 -10.269 -17.979 1.00 0.00 H new ATOM 0 HA THR A 52 19.255 -10.354 -19.002 1.00 0.00 H new ATOM 0 HB THR A 52 16.810 -9.401 -20.495 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.410 -11.681 -20.928 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.918 -10.521 -22.387 1.00 0.00 H new ATOM 0 HG22 THR A 52 18.966 -9.288 -21.647 1.00 0.00 H new ATOM 0 HG23 THR A 52 19.249 -11.013 -21.313 1.00 0.00 H new ATOM 823 N LYS A 53 19.525 -7.907 -18.140 1.00 0.00 N ATOM 824 CA LYS A 53 19.928 -6.514 -18.007 1.00 0.00 C ATOM 825 C LYS A 53 21.281 -6.443 -17.314 1.00 0.00 C ATOM 826 O LYS A 53 21.656 -7.372 -16.590 1.00 0.00 O ATOM 827 CB LYS A 53 18.886 -5.724 -17.207 1.00 0.00 C ATOM 828 CG LYS A 53 18.134 -4.696 -18.037 1.00 0.00 C ATOM 829 CD LYS A 53 17.087 -3.972 -17.211 1.00 0.00 C ATOM 830 CE LYS A 53 15.724 -4.629 -17.339 1.00 0.00 C ATOM 831 NZ LYS A 53 14.693 -3.917 -16.539 1.00 0.00 N ATOM 0 H LYS A 53 20.011 -8.541 -17.506 1.00 0.00 H new ATOM 0 HA LYS A 53 20.004 -6.072 -19.000 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.170 -6.421 -16.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.383 -5.218 -16.379 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.839 -3.973 -18.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.655 -5.190 -18.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.391 -3.963 -16.164 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.023 -2.933 -17.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.425 -4.645 -18.387 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.788 -5.666 -17.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.765 -4.022 -16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.655 -4.322 -15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.936 -2.908 -16.478 1.00 0.00 H new ATOM 845 N PRO A 54 22.050 -5.369 -17.546 1.00 0.00 N ATOM 846 CA PRO A 54 23.332 -5.162 -16.876 1.00 0.00 C ATOM 847 C PRO A 54 23.158 -4.564 -15.477 1.00 0.00 C ATOM 848 O PRO A 54 22.419 -5.155 -14.661 1.00 0.00 O ATOM 849 CB PRO A 54 24.049 -4.183 -17.802 1.00 0.00 C ATOM 850 CG PRO A 54 22.958 -3.387 -18.437 1.00 0.00 C ATOM 851 CD PRO A 54 21.746 -4.281 -18.499 1.00 0.00 C ATOM 852 OXT PRO A 54 23.765 -3.507 -15.196 1.00 0.00 O ATOM 0 HA PRO A 54 23.877 -6.093 -16.718 1.00 0.00 H new ATOM 0 HB2 PRO A 54 24.733 -3.542 -17.246 1.00 0.00 H new ATOM 0 HB3 PRO A 54 24.642 -4.709 -18.551 1.00 0.00 H new ATOM 0 HG2 PRO A 54 22.747 -2.489 -17.857 1.00 0.00 H new ATOM 0 HG3 PRO A 54 23.249 -3.060 -19.435 1.00 0.00 H new ATOM 0 HD2 PRO A 54 20.840 -3.745 -18.216 1.00 0.00 H new ATOM 0 HD3 PRO A 54 21.586 -4.666 -19.506 1.00 0.00 H new TER 860 PRO A 54