USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 2 THR OG1 : rot 179:sc= -0.141 USER MOD Set 1.2: A 5 GLN : amide:sc= -0.0664 K(o=-0.21,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.11 (180deg=0.63) USER MOD Single : A 19 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00473) USER MOD Single : A 36 THR OG1 : rot -133:sc= 0.0233 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0.169 (180deg=0.168) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 52 GLN : amide:sc= 0.33 X(o=0.33,f=-0.00069) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00857) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc=-0.00374 K(o=-0.0037,f=-1) USER MOD Single : A 78 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-3.8!) USER MOD Single : A 80 TYR OH : rot -37:sc= 0.0271 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 11:sc= 0.22 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.090 3.604 -14.331 1.00 0.00 N ATOM 2 CA MET A 1 -15.431 4.848 -13.858 1.00 0.00 C ATOM 3 C MET A 1 -15.967 5.251 -12.494 1.00 0.00 C ATOM 4 O MET A 1 -17.170 5.179 -12.247 1.00 0.00 O ATOM 5 CB MET A 1 -15.667 5.983 -14.856 1.00 0.00 C ATOM 6 CG MET A 1 -14.763 5.919 -16.074 1.00 0.00 C ATOM 7 SD MET A 1 -15.202 4.570 -17.188 1.00 0.00 S ATOM 8 CE MET A 1 -13.978 4.781 -18.476 1.00 0.00 C ATOM 0 H1 MET A 1 -16.012 3.542 -15.366 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.626 2.780 -13.899 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.094 3.618 -14.060 1.00 0.00 H new ATOM 0 HA MET A 1 -14.361 4.657 -13.775 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.706 5.957 -15.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.515 6.937 -14.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.818 6.864 -16.614 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.730 5.797 -15.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.120 4.018 -19.241 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.088 5.769 -18.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.980 4.685 -18.049 1.00 0.00 H new ATOM 18 N THR A 2 -15.072 5.675 -11.611 1.00 0.00 N ATOM 19 CA THR A 2 -15.464 6.083 -10.271 1.00 0.00 C ATOM 20 C THR A 2 -14.931 7.474 -9.935 1.00 0.00 C ATOM 21 O THR A 2 -13.753 7.640 -9.620 1.00 0.00 O ATOM 22 CB THR A 2 -14.969 5.072 -9.219 1.00 0.00 C ATOM 23 OG1 THR A 2 -13.617 4.699 -9.503 1.00 0.00 O ATOM 24 CG2 THR A 2 -15.847 3.830 -9.216 1.00 0.00 C ATOM 0 H THR A 2 -14.072 5.745 -11.799 1.00 0.00 H new ATOM 0 HA THR A 2 -16.553 6.113 -10.250 1.00 0.00 H new ATOM 0 HB THR A 2 -15.021 5.542 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.300 4.073 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.482 3.128 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.874 4.111 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.816 3.360 -10.199 1.00 0.00 H new ATOM 32 N PRO A 3 -15.802 8.498 -10.014 1.00 0.00 N ATOM 33 CA PRO A 3 -15.432 9.889 -9.710 1.00 0.00 C ATOM 34 C PRO A 3 -14.992 10.071 -8.260 1.00 0.00 C ATOM 35 O PRO A 3 -14.097 10.860 -7.974 1.00 0.00 O ATOM 36 CB PRO A 3 -16.724 10.677 -9.980 1.00 0.00 C ATOM 37 CG PRO A 3 -17.559 9.782 -10.829 1.00 0.00 C ATOM 38 CD PRO A 3 -17.212 8.383 -10.418 1.00 0.00 C ATOM 0 HA PRO A 3 -14.584 10.220 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.235 10.926 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.512 11.617 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.620 9.981 -10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.350 9.941 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.840 8.036 -9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.341 7.677 -11.239 1.00 0.00 H new ATOM 46 N GLU A 4 -15.618 9.324 -7.353 1.00 0.00 N ATOM 47 CA GLU A 4 -15.299 9.405 -5.931 1.00 0.00 C ATOM 48 C GLU A 4 -13.891 8.888 -5.631 1.00 0.00 C ATOM 49 O GLU A 4 -13.163 9.486 -4.839 1.00 0.00 O ATOM 50 CB GLU A 4 -16.325 8.617 -5.115 1.00 0.00 C ATOM 51 CG GLU A 4 -16.560 9.188 -3.728 1.00 0.00 C ATOM 52 CD GLU A 4 -17.583 8.400 -2.937 1.00 0.00 C ATOM 53 OE1 GLU A 4 -18.790 8.702 -3.058 1.00 0.00 O ATOM 54 OE2 GLU A 4 -17.178 7.484 -2.194 1.00 0.00 O ATOM 0 H GLU A 4 -16.352 8.653 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.335 10.457 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.271 8.597 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.989 7.584 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.617 9.203 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.893 10.222 -3.817 1.00 0.00 H new ATOM 61 N GLN A 5 -13.505 7.789 -6.273 1.00 0.00 N ATOM 62 CA GLN A 5 -12.187 7.198 -6.049 1.00 0.00 C ATOM 63 C GLN A 5 -11.078 8.031 -6.691 1.00 0.00 C ATOM 64 O GLN A 5 -9.989 8.156 -6.136 1.00 0.00 O ATOM 65 CB GLN A 5 -12.145 5.766 -6.589 1.00 0.00 C ATOM 66 CG GLN A 5 -12.861 4.758 -5.703 1.00 0.00 C ATOM 67 CD GLN A 5 -12.732 3.333 -6.208 1.00 0.00 C ATOM 68 OE1 GLN A 5 -13.582 2.845 -6.949 1.00 0.00 O ATOM 69 NE2 GLN A 5 -11.664 2.656 -5.805 1.00 0.00 N ATOM 0 H GLN A 5 -14.083 7.291 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.014 7.182 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.595 5.748 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.105 5.461 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.457 4.818 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.917 5.022 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.982 3.099 -5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.525 1.693 -6.111 1.00 0.00 H new ATOM 78 N ARG A 6 -11.366 8.606 -7.855 1.00 0.00 N ATOM 79 CA ARG A 6 -10.387 9.416 -8.581 1.00 0.00 C ATOM 80 C ARG A 6 -10.193 10.796 -7.951 1.00 0.00 C ATOM 81 O ARG A 6 -9.264 11.520 -8.308 1.00 0.00 O ATOM 82 CB ARG A 6 -10.815 9.570 -10.039 1.00 0.00 C ATOM 83 CG ARG A 6 -10.592 8.319 -10.872 1.00 0.00 C ATOM 84 CD ARG A 6 -11.012 8.533 -12.314 1.00 0.00 C ATOM 85 NE ARG A 6 -10.824 7.334 -13.127 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.078 7.281 -14.432 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.530 8.353 -15.069 1.00 0.00 N ATOM 88 NH2 ARG A 6 -10.882 6.154 -15.101 1.00 0.00 N ATOM 0 H ARG A 6 -12.271 8.527 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.432 8.894 -8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.872 9.836 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.264 10.397 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.539 8.039 -10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.158 7.490 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.060 8.830 -12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.435 9.353 -12.741 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.479 6.491 -12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.684 9.222 -14.558 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.723 8.308 -16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.536 5.326 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.077 6.114 -16.101 1.00 0.00 H new ATOM 102 N GLU A 7 -11.078 11.171 -7.035 1.00 0.00 N ATOM 103 CA GLU A 7 -10.987 12.471 -6.378 1.00 0.00 C ATOM 104 C GLU A 7 -10.264 12.388 -5.031 1.00 0.00 C ATOM 105 O GLU A 7 -9.889 13.413 -4.466 1.00 0.00 O ATOM 106 CB GLU A 7 -12.385 13.066 -6.184 1.00 0.00 C ATOM 107 CG GLU A 7 -12.919 13.786 -7.416 1.00 0.00 C ATOM 108 CD GLU A 7 -14.281 14.413 -7.187 1.00 0.00 C ATOM 109 OE1 GLU A 7 -15.298 13.728 -7.424 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.331 15.591 -6.776 1.00 0.00 O ATOM 0 H GLU A 7 -11.864 10.597 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.400 13.121 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.076 12.268 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.360 13.765 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.213 14.561 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.984 13.080 -8.244 1.00 0.00 H new ATOM 117 N PHE A 8 -10.057 11.172 -4.515 1.00 0.00 N ATOM 118 CA PHE A 8 -9.403 11.007 -3.212 1.00 0.00 C ATOM 119 C PHE A 8 -8.134 10.149 -3.270 1.00 0.00 C ATOM 120 O PHE A 8 -7.365 10.118 -2.309 1.00 0.00 O ATOM 121 CB PHE A 8 -10.384 10.391 -2.210 1.00 0.00 C ATOM 122 CG PHE A 8 -11.475 11.332 -1.782 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.299 12.172 -0.695 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.676 11.376 -2.470 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.302 13.038 -0.303 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.681 12.239 -2.085 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.494 13.072 -0.999 1.00 0.00 C ATOM 0 H PHE A 8 -10.328 10.300 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.100 12.004 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.834 9.503 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.833 10.062 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.368 12.150 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.828 10.726 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.154 13.688 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.612 12.263 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.279 13.749 -0.695 1.00 0.00 H new ATOM 137 N LEU A 9 -7.907 9.458 -4.384 1.00 0.00 N ATOM 138 CA LEU A 9 -6.730 8.591 -4.513 1.00 0.00 C ATOM 139 C LEU A 9 -5.462 9.339 -4.971 1.00 0.00 C ATOM 140 O LEU A 9 -4.402 9.155 -4.372 1.00 0.00 O ATOM 141 CB LEU A 9 -7.020 7.420 -5.456 1.00 0.00 C ATOM 142 CG LEU A 9 -7.124 6.050 -4.773 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.515 5.840 -4.194 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.788 4.937 -5.752 1.00 0.00 C ATOM 0 H LEU A 9 -8.513 9.478 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.525 8.213 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.954 7.619 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.233 7.375 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.403 6.024 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.566 4.862 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.724 6.616 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.254 5.891 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.867 3.973 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.484 4.967 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.771 5.071 -6.120 1.00 0.00 H new ATOM 156 N PRO A 10 -5.526 10.178 -6.035 1.00 0.00 N ATOM 157 CA PRO A 10 -4.347 10.914 -6.528 1.00 0.00 C ATOM 158 C PRO A 10 -3.842 11.985 -5.555 1.00 0.00 C ATOM 159 O PRO A 10 -2.758 12.538 -5.744 1.00 0.00 O ATOM 160 CB PRO A 10 -4.840 11.573 -7.828 1.00 0.00 C ATOM 161 CG PRO A 10 -6.113 10.878 -8.166 1.00 0.00 C ATOM 162 CD PRO A 10 -6.711 10.464 -6.858 1.00 0.00 C ATOM 0 HA PRO A 10 -3.500 10.241 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.001 12.642 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.107 11.462 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.786 11.539 -8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.929 10.013 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.323 11.255 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.351 9.588 -6.965 1.00 0.00 H new ATOM 170 N GLU A 11 -4.622 12.271 -4.514 1.00 0.00 N ATOM 171 CA GLU A 11 -4.243 13.279 -3.528 1.00 0.00 C ATOM 172 C GLU A 11 -3.430 12.673 -2.380 1.00 0.00 C ATOM 173 O GLU A 11 -2.470 13.279 -1.904 1.00 0.00 O ATOM 174 CB GLU A 11 -5.494 13.971 -2.982 1.00 0.00 C ATOM 175 CG GLU A 11 -6.082 15.004 -3.934 1.00 0.00 C ATOM 176 CD GLU A 11 -7.078 15.919 -3.251 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.266 15.547 -3.169 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.669 17.009 -2.798 1.00 0.00 O ATOM 0 H GLU A 11 -5.518 11.819 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.610 14.013 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.251 13.217 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.248 14.457 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.276 15.602 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.572 14.493 -4.763 1.00 0.00 H new ATOM 185 N ILE A 12 -3.814 11.472 -1.946 1.00 0.00 N ATOM 186 CA ILE A 12 -3.122 10.792 -0.851 1.00 0.00 C ATOM 187 C ILE A 12 -1.788 10.197 -1.307 1.00 0.00 C ATOM 188 O ILE A 12 -0.854 10.078 -0.514 1.00 0.00 O ATOM 189 CB ILE A 12 -3.986 9.674 -0.215 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.646 8.802 -1.287 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.045 10.278 0.693 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.952 7.474 -1.508 1.00 0.00 C ATOM 0 H ILE A 12 -4.599 10.951 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.934 11.557 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.327 9.039 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.682 8.617 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.666 9.352 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.645 9.481 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.562 10.849 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.689 10.938 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.477 6.913 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.923 7.649 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.956 6.903 -0.580 1.00 0.00 H new ATOM 204 N LEU A 13 -1.719 9.815 -2.584 1.00 0.00 N ATOM 205 CA LEU A 13 -0.517 9.211 -3.161 1.00 0.00 C ATOM 206 C LEU A 13 0.718 10.105 -2.998 1.00 0.00 C ATOM 207 O LEU A 13 1.797 9.622 -2.669 1.00 0.00 O ATOM 208 CB LEU A 13 -0.747 8.902 -4.643 1.00 0.00 C ATOM 209 CG LEU A 13 -0.456 7.455 -5.058 1.00 0.00 C ATOM 210 CD1 LEU A 13 -1.319 7.052 -6.244 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.019 7.279 -5.391 1.00 0.00 C ATOM 0 H LEU A 13 -2.490 9.915 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.324 8.287 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.783 9.133 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.122 9.567 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.700 6.805 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.097 6.022 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.372 7.136 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.108 7.709 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.205 6.246 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.288 7.943 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.621 7.523 -4.516 1.00 0.00 H new ATOM 223 N ALA A 14 0.550 11.407 -3.219 1.00 0.00 N ATOM 224 CA ALA A 14 1.657 12.358 -3.105 1.00 0.00 C ATOM 225 C ALA A 14 2.208 12.426 -1.680 1.00 0.00 C ATOM 226 O ALA A 14 3.421 12.484 -1.477 1.00 0.00 O ATOM 227 CB ALA A 14 1.204 13.736 -3.564 1.00 0.00 C ATOM 0 H ALA A 14 -0.342 11.829 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 14 2.465 12.008 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.032 14.439 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.879 13.685 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.375 14.073 -2.941 1.00 0.00 H new ATOM 233 N GLU A 15 1.309 12.412 -0.699 1.00 0.00 N ATOM 234 CA GLU A 15 1.696 12.486 0.709 1.00 0.00 C ATOM 235 C GLU A 15 2.284 11.173 1.242 1.00 0.00 C ATOM 236 O GLU A 15 3.031 11.185 2.218 1.00 0.00 O ATOM 237 CB GLU A 15 0.491 12.882 1.565 1.00 0.00 C ATOM 238 CG GLU A 15 0.103 14.346 1.442 1.00 0.00 C ATOM 239 CD GLU A 15 -1.094 14.700 2.302 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.234 14.587 1.808 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.891 15.087 3.473 1.00 0.00 O ATOM 0 H GLU A 15 0.303 12.350 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 15 2.478 13.243 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.362 12.265 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.711 12.661 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.950 14.969 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.122 14.573 0.400 1.00 0.00 H new ATOM 248 N ILE A 16 1.961 10.046 0.605 1.00 0.00 N ATOM 249 CA ILE A 16 2.451 8.743 1.073 1.00 0.00 C ATOM 250 C ILE A 16 3.872 8.430 0.594 1.00 0.00 C ATOM 251 O ILE A 16 4.615 7.746 1.291 1.00 0.00 O ATOM 252 CB ILE A 16 1.496 7.583 0.677 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.811 6.328 1.493 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.587 7.279 -0.810 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.623 5.408 1.684 1.00 0.00 C ATOM 0 H ILE A 16 1.370 10.005 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 16 2.476 8.821 2.160 1.00 0.00 H new ATOM 0 HB ILE A 16 0.477 7.900 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.610 5.776 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.188 6.627 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.908 6.463 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.311 8.166 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.608 6.990 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.925 4.541 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.171 5.942 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.259 5.078 0.711 1.00 0.00 H new ATOM 267 N ILE A 17 4.268 8.936 -0.575 1.00 0.00 N ATOM 268 CA ILE A 17 5.612 8.664 -1.093 1.00 0.00 C ATOM 269 C ILE A 17 6.699 9.301 -0.219 1.00 0.00 C ATOM 270 O ILE A 17 7.829 8.815 -0.168 1.00 0.00 O ATOM 271 CB ILE A 17 5.786 9.164 -2.548 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.622 8.709 -3.427 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.101 8.661 -3.132 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.369 9.611 -4.618 1.00 0.00 C ATOM 0 H ILE A 17 3.690 9.526 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 17 5.724 7.580 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 17 5.799 10.254 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.821 7.698 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.718 8.661 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.207 9.022 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.931 9.030 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.107 7.571 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.529 9.225 -5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.138 10.618 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.258 9.640 -5.248 1.00 0.00 H new ATOM 286 N ALA A 18 6.345 10.372 0.487 1.00 0.00 N ATOM 287 CA ALA A 18 7.300 11.083 1.332 1.00 0.00 C ATOM 288 C ALA A 18 7.423 10.493 2.740 1.00 0.00 C ATOM 289 O ALA A 18 8.433 10.711 3.408 1.00 0.00 O ATOM 290 CB ALA A 18 6.917 12.551 1.417 1.00 0.00 C ATOM 0 H ALA A 18 5.404 10.766 0.491 1.00 0.00 H new ATOM 0 HA ALA A 18 8.278 10.972 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.632 13.078 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.925 12.987 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.919 12.642 1.845 1.00 0.00 H new ATOM 296 N ASN A 19 6.412 9.753 3.202 1.00 0.00 N ATOM 297 CA ASN A 19 6.464 9.177 4.553 1.00 0.00 C ATOM 298 C ASN A 19 6.396 7.650 4.552 1.00 0.00 C ATOM 299 O ASN A 19 6.021 7.040 5.556 1.00 0.00 O ATOM 300 CB ASN A 19 5.344 9.751 5.437 1.00 0.00 C ATOM 301 CG ASN A 19 3.954 9.600 4.839 1.00 0.00 C ATOM 302 OD1 ASN A 19 3.671 8.656 4.103 1.00 0.00 O ATOM 303 ND2 ASN A 19 3.072 10.538 5.162 1.00 0.00 N ATOM 0 H ASN A 19 5.564 9.540 2.676 1.00 0.00 H new ATOM 0 HA ASN A 19 7.433 9.457 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.368 9.254 6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.540 10.808 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.121 10.491 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.345 11.306 5.776 1.00 0.00 H new ATOM 310 N LEU A 20 6.757 7.030 3.438 1.00 0.00 N ATOM 311 CA LEU A 20 6.734 5.572 3.349 1.00 0.00 C ATOM 312 C LEU A 20 8.117 4.998 3.064 1.00 0.00 C ATOM 313 O LEU A 20 8.930 5.608 2.370 1.00 0.00 O ATOM 314 CB LEU A 20 5.764 5.110 2.266 1.00 0.00 C ATOM 315 CG LEU A 20 5.269 3.671 2.412 1.00 0.00 C ATOM 316 CD1 LEU A 20 3.945 3.636 3.159 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.132 3.015 1.047 1.00 0.00 C ATOM 0 H LEU A 20 7.067 7.505 2.590 1.00 0.00 H new ATOM 0 HA LEU A 20 6.401 5.202 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.901 5.776 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.250 5.214 1.296 1.00 0.00 H new ATOM 0 HG LEU A 20 6.003 3.110 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.608 2.604 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.076 4.067 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.201 4.212 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.779 1.991 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.418 3.576 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.101 3.007 0.548 1.00 0.00 H new ATOM 329 N ASP A 21 8.366 3.809 3.608 1.00 0.00 N ATOM 330 CA ASP A 21 9.637 3.118 3.414 1.00 0.00 C ATOM 331 C ASP A 21 9.390 1.698 2.907 1.00 0.00 C ATOM 332 O ASP A 21 9.076 0.803 3.690 1.00 0.00 O ATOM 333 CB ASP A 21 10.432 3.078 4.722 1.00 0.00 C ATOM 334 CG ASP A 21 11.011 4.431 5.085 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.325 5.204 5.785 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.151 4.719 4.663 1.00 0.00 O ATOM 0 H ASP A 21 7.699 3.302 4.190 1.00 0.00 H new ATOM 0 HA ASP A 21 10.219 3.664 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.784 2.735 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.240 2.352 4.631 1.00 0.00 H new ATOM 341 N PRO A 22 9.535 1.481 1.584 1.00 0.00 N ATOM 342 CA PRO A 22 9.312 0.168 0.948 1.00 0.00 C ATOM 343 C PRO A 22 10.218 -0.943 1.481 1.00 0.00 C ATOM 344 O PRO A 22 9.884 -2.118 1.378 1.00 0.00 O ATOM 345 CB PRO A 22 9.623 0.428 -0.533 1.00 0.00 C ATOM 346 CG PRO A 22 9.502 1.901 -0.708 1.00 0.00 C ATOM 347 CD PRO A 22 9.923 2.505 0.598 1.00 0.00 C ATOM 0 HA PRO A 22 8.301 -0.187 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.624 0.082 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.925 -0.103 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.136 2.251 -1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.479 2.182 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.995 2.703 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.420 3.454 0.784 1.00 0.00 H new ATOM 355 N THR A 23 11.357 -0.575 2.049 1.00 0.00 N ATOM 356 CA THR A 23 12.300 -1.554 2.579 1.00 0.00 C ATOM 357 C THR A 23 11.831 -2.147 3.908 1.00 0.00 C ATOM 358 O THR A 23 11.815 -3.365 4.082 1.00 0.00 O ATOM 359 CB THR A 23 13.687 -0.921 2.789 1.00 0.00 C ATOM 360 OG1 THR A 23 13.544 0.400 3.332 1.00 0.00 O ATOM 361 CG2 THR A 23 14.461 -0.852 1.479 1.00 0.00 C ATOM 0 H THR A 23 11.653 0.395 2.156 1.00 0.00 H new ATOM 0 HA THR A 23 12.360 -2.353 1.840 1.00 0.00 H new ATOM 0 HB THR A 23 14.243 -1.547 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.430 0.797 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.437 -0.401 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.593 -1.858 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.907 -0.248 0.761 1.00 0.00 H new ATOM 369 N LYS A 24 11.432 -1.275 4.829 1.00 0.00 N ATOM 370 CA LYS A 24 11.000 -1.692 6.160 1.00 0.00 C ATOM 371 C LYS A 24 9.688 -2.481 6.155 1.00 0.00 C ATOM 372 O LYS A 24 9.487 -3.350 7.003 1.00 0.00 O ATOM 373 CB LYS A 24 10.859 -0.471 7.073 1.00 0.00 C ATOM 374 CG LYS A 24 11.218 -0.758 8.521 1.00 0.00 C ATOM 375 CD LYS A 24 11.090 0.478 9.394 1.00 0.00 C ATOM 376 CE LYS A 24 11.430 0.162 10.841 1.00 0.00 C ATOM 377 NZ LYS A 24 12.896 0.004 11.037 1.00 0.00 N ATOM 0 H LYS A 24 11.399 -0.267 4.676 1.00 0.00 H new ATOM 0 HA LYS A 24 11.772 -2.363 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.498 0.329 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.833 -0.107 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.568 -1.543 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.239 -1.135 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.754 1.259 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.074 0.867 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.060 0.960 11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.921 -0.753 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.094 -0.177 12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.238 -0.795 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.382 0.874 10.740 1.00 0.00 H new ATOM 391 N ILE A 25 8.799 -2.196 5.208 1.00 0.00 N ATOM 392 CA ILE A 25 7.509 -2.884 5.166 1.00 0.00 C ATOM 393 C ILE A 25 7.550 -4.191 4.369 1.00 0.00 C ATOM 394 O ILE A 25 6.889 -5.160 4.739 1.00 0.00 O ATOM 395 CB ILE A 25 6.390 -1.981 4.597 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.821 -1.335 3.280 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.003 -0.913 5.610 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.668 -1.060 2.343 1.00 0.00 C ATOM 0 H ILE A 25 8.942 -1.506 4.470 1.00 0.00 H new ATOM 0 HA ILE A 25 7.285 -3.127 6.205 1.00 0.00 H new ATOM 0 HB ILE A 25 5.520 -2.607 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.337 -0.399 3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.538 -1.987 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.214 -0.286 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.644 -1.390 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.873 -0.297 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.044 -0.602 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.166 -1.996 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.962 -0.383 2.824 1.00 0.00 H new ATOM 410 N LEU A 26 8.334 -4.226 3.293 1.00 0.00 N ATOM 411 CA LEU A 26 8.417 -5.416 2.441 1.00 0.00 C ATOM 412 C LEU A 26 9.098 -6.592 3.141 1.00 0.00 C ATOM 413 O LEU A 26 8.743 -7.747 2.902 1.00 0.00 O ATOM 414 CB LEU A 26 9.160 -5.085 1.146 1.00 0.00 C ATOM 415 CG LEU A 26 8.280 -4.994 -0.103 1.00 0.00 C ATOM 416 CD1 LEU A 26 7.572 -3.650 -0.167 1.00 0.00 C ATOM 417 CD2 LEU A 26 9.114 -5.215 -1.356 1.00 0.00 C ATOM 0 H LEU A 26 8.920 -3.448 2.989 1.00 0.00 H new ATOM 0 HA LEU A 26 7.394 -5.719 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.679 -4.135 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.923 -5.845 0.979 1.00 0.00 H new ATOM 0 HG LEU A 26 7.523 -5.776 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.952 -3.608 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.944 -3.527 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.312 -2.850 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.474 -5.147 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.892 -4.454 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.574 -6.202 -1.317 1.00 0.00 H new ATOM 429 N GLU A 27 10.060 -6.294 4.011 1.00 0.00 N ATOM 430 CA GLU A 27 10.805 -7.327 4.732 1.00 0.00 C ATOM 431 C GLU A 27 9.916 -8.140 5.678 1.00 0.00 C ATOM 432 O GLU A 27 10.068 -9.359 5.787 1.00 0.00 O ATOM 433 CB GLU A 27 11.944 -6.687 5.529 1.00 0.00 C ATOM 434 CG GLU A 27 13.129 -6.260 4.677 1.00 0.00 C ATOM 435 CD GLU A 27 14.248 -5.658 5.502 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.211 -4.434 5.750 1.00 0.00 O ATOM 437 OE2 GLU A 27 15.163 -6.410 5.902 1.00 0.00 O ATOM 0 H GLU A 27 10.344 -5.340 4.236 1.00 0.00 H new ATOM 0 HA GLU A 27 11.204 -8.013 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.558 -5.817 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.288 -7.394 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.509 -7.123 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.797 -5.533 3.936 1.00 0.00 H new ATOM 444 N GLU A 28 8.989 -7.463 6.354 1.00 0.00 N ATOM 445 CA GLU A 28 8.096 -8.117 7.313 1.00 0.00 C ATOM 446 C GLU A 28 6.988 -8.920 6.632 1.00 0.00 C ATOM 447 O GLU A 28 6.486 -9.895 7.195 1.00 0.00 O ATOM 448 CB GLU A 28 7.484 -7.073 8.248 1.00 0.00 C ATOM 449 CG GLU A 28 8.469 -6.527 9.267 1.00 0.00 C ATOM 450 CD GLU A 28 8.578 -7.398 10.503 1.00 0.00 C ATOM 451 OE1 GLU A 28 9.413 -8.326 10.506 1.00 0.00 O ATOM 452 OE2 GLU A 28 7.826 -7.149 11.470 1.00 0.00 O ATOM 0 H GLU A 28 8.836 -6.459 6.256 1.00 0.00 H new ATOM 0 HA GLU A 28 8.698 -8.823 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.093 -6.248 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.638 -7.517 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.452 -6.437 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.162 -5.523 9.561 1.00 0.00 H new ATOM 459 N LEU A 29 6.609 -8.514 5.424 1.00 0.00 N ATOM 460 CA LEU A 29 5.549 -9.196 4.684 1.00 0.00 C ATOM 461 C LEU A 29 6.056 -10.480 4.031 1.00 0.00 C ATOM 462 O LEU A 29 5.312 -11.453 3.895 1.00 0.00 O ATOM 463 CB LEU A 29 4.970 -8.262 3.621 1.00 0.00 C ATOM 464 CG LEU A 29 4.297 -7.003 4.170 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.229 -5.923 3.104 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.907 -7.326 4.695 1.00 0.00 C ATOM 0 H LEU A 29 7.019 -7.717 4.936 1.00 0.00 H new ATOM 0 HA LEU A 29 4.768 -9.468 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.771 -7.963 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.243 -8.816 3.028 1.00 0.00 H new ATOM 0 HG LEU A 29 4.898 -6.627 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.747 -5.036 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.238 -5.670 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.654 -6.287 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.444 -6.418 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.297 -7.728 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.982 -8.063 5.494 1.00 0.00 H new ATOM 478 N LEU A 30 7.326 -10.477 3.638 1.00 0.00 N ATOM 479 CA LEU A 30 7.940 -11.633 2.990 1.00 0.00 C ATOM 480 C LEU A 30 8.140 -12.791 3.966 1.00 0.00 C ATOM 481 O LEU A 30 8.099 -13.958 3.572 1.00 0.00 O ATOM 482 CB LEU A 30 9.284 -11.237 2.382 1.00 0.00 C ATOM 483 CG LEU A 30 9.203 -10.531 1.031 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.430 -9.662 0.812 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.060 -11.552 -0.085 1.00 0.00 C ATOM 0 H LEU A 30 7.954 -9.682 3.758 1.00 0.00 H new ATOM 0 HA LEU A 30 7.263 -11.969 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.804 -10.585 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.892 -12.134 2.269 1.00 0.00 H new ATOM 0 HG LEU A 30 8.324 -9.886 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.356 -9.166 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.490 -8.912 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.325 -10.284 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.003 -11.037 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.923 -12.218 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.151 -12.134 0.069 1.00 0.00 H new ATOM 497 N ARG A 31 8.362 -12.460 5.236 1.00 0.00 N ATOM 498 CA ARG A 31 8.585 -13.467 6.271 1.00 0.00 C ATOM 499 C ARG A 31 7.313 -14.250 6.583 1.00 0.00 C ATOM 500 O ARG A 31 7.374 -15.408 6.999 1.00 0.00 O ATOM 501 CB ARG A 31 9.108 -12.801 7.541 1.00 0.00 C ATOM 502 CG ARG A 31 10.570 -12.401 7.455 1.00 0.00 C ATOM 503 CD ARG A 31 11.075 -11.847 8.775 1.00 0.00 C ATOM 504 NE ARG A 31 12.475 -11.441 8.692 1.00 0.00 N ATOM 505 CZ ARG A 31 13.253 -11.248 9.752 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.773 -11.420 10.977 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.516 -10.879 9.589 1.00 0.00 N ATOM 0 H ARG A 31 8.392 -11.498 5.574 1.00 0.00 H new ATOM 0 HA ARG A 31 9.326 -14.172 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.509 -11.915 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.974 -13.483 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.169 -13.266 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.698 -11.653 6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.465 -10.992 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.961 -12.601 9.553 1.00 0.00 H new ATOM 0 HE ARG A 31 12.879 -11.297 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.802 -11.702 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.375 -11.270 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.891 -10.743 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.113 -10.731 10.403 1.00 0.00 H new ATOM 521 N ARG A 32 6.161 -13.616 6.383 1.00 0.00 N ATOM 522 CA ARG A 32 4.880 -14.261 6.647 1.00 0.00 C ATOM 523 C ARG A 32 4.351 -14.967 5.401 1.00 0.00 C ATOM 524 O ARG A 32 3.407 -15.752 5.477 1.00 0.00 O ATOM 525 CB ARG A 32 3.862 -13.233 7.144 1.00 0.00 C ATOM 526 CG ARG A 32 4.238 -12.610 8.481 1.00 0.00 C ATOM 527 CD ARG A 32 3.041 -11.960 9.155 1.00 0.00 C ATOM 528 NE ARG A 32 3.392 -11.366 10.443 1.00 0.00 N ATOM 529 CZ ARG A 32 2.494 -10.930 11.326 1.00 0.00 C ATOM 530 NH1 ARG A 32 1.197 -11.023 11.061 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.894 -10.400 12.473 1.00 0.00 N ATOM 0 H ARG A 32 6.089 -12.658 6.040 1.00 0.00 H new ATOM 0 HA ARG A 32 5.034 -15.012 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.760 -12.444 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.887 -13.712 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.652 -13.376 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.019 -11.865 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.631 -11.191 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.259 -12.705 9.301 1.00 0.00 H new ATOM 0 HE ARG A 32 4.380 -11.280 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.885 -11.429 10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.513 -10.688 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.890 -10.325 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.206 -10.067 13.148 1.00 0.00 H new ATOM 545 N GLY A 33 4.974 -14.687 4.258 1.00 0.00 N ATOM 546 CA GLY A 33 4.563 -15.306 3.010 1.00 0.00 C ATOM 547 C GLY A 33 3.421 -14.569 2.334 1.00 0.00 C ATOM 548 O GLY A 33 2.557 -15.189 1.716 1.00 0.00 O ATOM 0 H GLY A 33 5.758 -14.040 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.415 -15.346 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.261 -16.335 3.203 1.00 0.00 H new ATOM 552 N LEU A 34 3.418 -13.243 2.449 1.00 0.00 N ATOM 553 CA LEU A 34 2.370 -12.424 1.844 1.00 0.00 C ATOM 554 C LEU A 34 2.777 -11.903 0.468 1.00 0.00 C ATOM 555 O LEU A 34 1.921 -11.570 -0.352 1.00 0.00 O ATOM 556 CB LEU A 34 2.034 -11.240 2.759 1.00 0.00 C ATOM 557 CG LEU A 34 0.702 -10.540 2.465 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.058 -10.061 3.754 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.911 -9.375 1.505 1.00 0.00 C ATOM 0 H LEU A 34 4.128 -12.713 2.955 1.00 0.00 H new ATOM 0 HA LEU A 34 1.493 -13.058 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.020 -11.592 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.836 -10.505 2.684 1.00 0.00 H new ATOM 0 HG LEU A 34 0.032 -11.258 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.886 -9.566 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.127 -10.914 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.724 -9.358 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.045 -8.890 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.598 -8.655 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.330 -9.745 0.569 1.00 0.00 H new ATOM 571 N LEU A 35 4.074 -11.868 0.194 1.00 0.00 N ATOM 572 CA LEU A 35 4.551 -11.343 -1.076 1.00 0.00 C ATOM 573 C LEU A 35 5.116 -12.449 -1.962 1.00 0.00 C ATOM 574 O LEU A 35 5.778 -13.369 -1.479 1.00 0.00 O ATOM 575 CB LEU A 35 5.626 -10.281 -0.830 1.00 0.00 C ATOM 576 CG LEU A 35 5.411 -8.958 -1.569 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.139 -7.828 -0.859 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.876 -9.066 -3.015 1.00 0.00 C ATOM 0 H LEU A 35 4.806 -12.193 0.826 1.00 0.00 H new ATOM 0 HA LEU A 35 3.702 -10.896 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.676 -10.078 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.593 -10.690 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 35 4.344 -8.736 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.976 -6.895 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.758 -7.732 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.206 -8.046 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.714 -8.114 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.937 -9.313 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.310 -9.848 -3.522 1.00 0.00 H new ATOM 590 N THR A 36 4.841 -12.354 -3.263 1.00 0.00 N ATOM 591 CA THR A 36 5.322 -13.341 -4.223 1.00 0.00 C ATOM 592 C THR A 36 6.545 -12.822 -4.973 1.00 0.00 C ATOM 593 O THR A 36 6.712 -11.614 -5.142 1.00 0.00 O ATOM 594 CB THR A 36 4.232 -13.722 -5.245 1.00 0.00 C ATOM 595 OG1 THR A 36 3.674 -12.543 -5.830 1.00 0.00 O ATOM 596 CG2 THR A 36 3.131 -14.536 -4.585 1.00 0.00 C ATOM 0 H THR A 36 4.287 -11.602 -3.674 1.00 0.00 H new ATOM 0 HA THR A 36 5.593 -14.228 -3.651 1.00 0.00 H new ATOM 0 HB THR A 36 4.694 -14.329 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.696 -12.606 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.374 -14.793 -5.326 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.554 -15.450 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.674 -13.950 -3.787 1.00 0.00 H new ATOM 604 N PRO A 37 7.420 -13.733 -5.430 1.00 0.00 N ATOM 605 CA PRO A 37 8.637 -13.369 -6.170 1.00 0.00 C ATOM 606 C PRO A 37 8.342 -12.751 -7.539 1.00 0.00 C ATOM 607 O PRO A 37 9.136 -11.964 -8.050 1.00 0.00 O ATOM 608 CB PRO A 37 9.374 -14.705 -6.327 1.00 0.00 C ATOM 609 CG PRO A 37 8.319 -15.748 -6.192 1.00 0.00 C ATOM 610 CD PRO A 37 7.299 -15.189 -5.242 1.00 0.00 C ATOM 0 HA PRO A 37 9.213 -12.607 -5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.871 -14.770 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.144 -14.822 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.869 -15.974 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.738 -16.679 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.295 -15.542 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.507 -15.480 -4.212 1.00 0.00 H new ATOM 618 N ALA A 38 7.196 -13.107 -8.122 1.00 0.00 N ATOM 619 CA ALA A 38 6.792 -12.587 -9.427 1.00 0.00 C ATOM 620 C ALA A 38 6.403 -11.113 -9.336 1.00 0.00 C ATOM 621 O ALA A 38 6.764 -10.310 -10.197 1.00 0.00 O ATOM 622 CB ALA A 38 5.637 -13.407 -9.981 1.00 0.00 C ATOM 0 H ALA A 38 6.529 -13.757 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 38 7.642 -12.668 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.344 -13.012 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.948 -14.446 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.791 -13.352 -9.296 1.00 0.00 H new ATOM 628 N GLU A 39 5.667 -10.768 -8.281 1.00 0.00 N ATOM 629 CA GLU A 39 5.229 -9.393 -8.058 1.00 0.00 C ATOM 630 C GLU A 39 6.392 -8.536 -7.566 1.00 0.00 C ATOM 631 O GLU A 39 6.496 -7.346 -7.887 1.00 0.00 O ATOM 632 CB GLU A 39 4.097 -9.372 -7.027 1.00 0.00 C ATOM 633 CG GLU A 39 2.751 -9.810 -7.583 1.00 0.00 C ATOM 634 CD GLU A 39 1.756 -10.148 -6.490 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.677 -9.388 -5.502 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.056 -11.175 -6.622 1.00 0.00 O ATOM 0 H GLU A 39 5.361 -11.426 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 39 4.868 -8.983 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.365 -10.023 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.003 -8.363 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.344 -9.016 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.892 -10.680 -8.224 1.00 0.00 H new ATOM 643 N LEU A 40 7.272 -9.168 -6.795 1.00 0.00 N ATOM 644 CA LEU A 40 8.436 -8.500 -6.231 1.00 0.00 C ATOM 645 C LEU A 40 9.416 -8.069 -7.309 1.00 0.00 C ATOM 646 O LEU A 40 9.800 -6.908 -7.364 1.00 0.00 O ATOM 647 CB LEU A 40 9.144 -9.425 -5.244 1.00 0.00 C ATOM 648 CG LEU A 40 10.046 -8.719 -4.225 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.938 -9.383 -2.864 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.493 -8.722 -4.700 1.00 0.00 C ATOM 0 H LEU A 40 7.197 -10.154 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 40 8.082 -7.607 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.391 -9.999 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.746 -10.139 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 40 9.712 -7.685 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.586 -8.867 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.906 -9.333 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.244 -10.426 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.119 -8.217 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.834 -9.750 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.564 -8.201 -5.655 1.00 0.00 H new ATOM 662 N GLN A 41 9.811 -9.013 -8.163 1.00 0.00 N ATOM 663 CA GLN A 41 10.770 -8.745 -9.237 1.00 0.00 C ATOM 664 C GLN A 41 10.313 -7.620 -10.160 1.00 0.00 C ATOM 665 O GLN A 41 11.134 -6.986 -10.813 1.00 0.00 O ATOM 666 CB GLN A 41 11.019 -10.014 -10.052 1.00 0.00 C ATOM 667 CG GLN A 41 11.946 -11.002 -9.364 1.00 0.00 C ATOM 668 CD GLN A 41 13.414 -10.684 -9.577 1.00 0.00 C ATOM 669 OE1 GLN A 41 14.014 -11.101 -10.566 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.001 -9.941 -8.646 1.00 0.00 N ATOM 0 H GLN A 41 9.479 -9.977 -8.132 1.00 0.00 H new ATOM 0 HA GLN A 41 11.697 -8.422 -8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.065 -10.501 -10.252 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.445 -9.739 -11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.733 -11.008 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.739 -12.005 -9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.466 -9.616 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.987 -9.696 -8.736 1.00 0.00 H new ATOM 679 N GLU A 42 9.007 -7.378 -10.222 1.00 0.00 N ATOM 680 CA GLU A 42 8.478 -6.323 -11.084 1.00 0.00 C ATOM 681 C GLU A 42 8.715 -4.935 -10.486 1.00 0.00 C ATOM 682 O GLU A 42 9.358 -4.075 -11.107 1.00 0.00 O ATOM 683 CB GLU A 42 6.983 -6.536 -11.327 1.00 0.00 C ATOM 684 CG GLU A 42 6.499 -6.000 -12.666 1.00 0.00 C ATOM 685 CD GLU A 42 5.012 -6.214 -12.873 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.634 -7.275 -13.416 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.225 -5.321 -12.492 1.00 0.00 O ATOM 0 H GLU A 42 8.302 -7.891 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 42 9.010 -6.376 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.763 -7.602 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.421 -6.053 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.722 -4.935 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.049 -6.489 -13.470 1.00 0.00 H new ATOM 694 N VAL A 43 8.227 -4.726 -9.263 1.00 0.00 N ATOM 695 CA VAL A 43 8.376 -3.434 -8.604 1.00 0.00 C ATOM 696 C VAL A 43 9.805 -3.228 -8.091 1.00 0.00 C ATOM 697 O VAL A 43 10.239 -2.098 -7.889 1.00 0.00 O ATOM 698 CB VAL A 43 7.338 -3.247 -7.466 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.528 -4.265 -6.357 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.387 -1.831 -6.908 1.00 0.00 C ATOM 0 H VAL A 43 7.730 -5.429 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 43 8.180 -2.667 -9.353 1.00 0.00 H new ATOM 0 HB VAL A 43 6.352 -3.412 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.782 -4.100 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.413 -5.270 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.525 -4.157 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.649 -1.728 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.382 -1.631 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.165 -1.119 -7.703 1.00 0.00 H new ATOM 710 N LEU A 44 10.545 -4.315 -7.906 1.00 0.00 N ATOM 711 CA LEU A 44 11.925 -4.212 -7.447 1.00 0.00 C ATOM 712 C LEU A 44 12.836 -3.857 -8.613 1.00 0.00 C ATOM 713 O LEU A 44 13.900 -3.265 -8.427 1.00 0.00 O ATOM 714 CB LEU A 44 12.388 -5.516 -6.801 1.00 0.00 C ATOM 715 CG LEU A 44 13.642 -5.394 -5.937 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.268 -5.043 -4.505 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.446 -6.684 -5.984 1.00 0.00 C ATOM 0 H LEU A 44 10.217 -5.268 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 44 11.976 -3.423 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.578 -5.908 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.575 -6.248 -7.587 1.00 0.00 H new ATOM 0 HG LEU A 44 14.262 -4.590 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.173 -4.960 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.734 -4.093 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.629 -5.824 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.336 -6.581 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.836 -7.507 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.743 -6.891 -7.012 1.00 0.00 H new ATOM 729 N ASP A 45 12.406 -4.226 -9.820 1.00 0.00 N ATOM 730 CA ASP A 45 13.169 -3.937 -11.025 1.00 0.00 C ATOM 731 C ASP A 45 13.132 -2.449 -11.353 1.00 0.00 C ATOM 732 O ASP A 45 14.160 -1.869 -11.700 1.00 0.00 O ATOM 733 CB ASP A 45 12.636 -4.739 -12.213 1.00 0.00 C ATOM 734 CG ASP A 45 13.709 -5.018 -13.246 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.397 -6.053 -13.124 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.865 -4.200 -14.178 1.00 0.00 O ATOM 0 H ASP A 45 11.532 -4.726 -9.985 1.00 0.00 H new ATOM 0 HA ASP A 45 14.202 -4.229 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.224 -5.683 -11.856 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.818 -4.191 -12.681 1.00 0.00 H new ATOM 741 N LEU A 46 11.954 -1.826 -11.243 1.00 0.00 N ATOM 742 CA LEU A 46 11.843 -0.396 -11.544 1.00 0.00 C ATOM 743 C LEU A 46 12.581 0.443 -10.507 1.00 0.00 C ATOM 744 O LEU A 46 12.657 0.080 -9.332 1.00 0.00 O ATOM 745 CB LEU A 46 10.383 0.073 -11.630 1.00 0.00 C ATOM 746 CG LEU A 46 9.415 -0.544 -10.619 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.217 0.393 -9.439 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.081 -0.850 -11.279 1.00 0.00 C ATOM 0 H LEU A 46 11.085 -2.276 -10.955 1.00 0.00 H new ATOM 0 HA LEU A 46 12.304 -0.255 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.363 1.156 -11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.013 -0.140 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 46 9.843 -1.478 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.526 -0.059 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.175 0.571 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.808 1.340 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.404 -1.288 -10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.647 0.071 -11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.233 -1.553 -12.098 1.00 0.00 H new ATOM 760 N LYS A 47 13.124 1.564 -10.956 1.00 0.00 N ATOM 761 CA LYS A 47 13.850 2.469 -10.079 1.00 0.00 C ATOM 762 C LYS A 47 13.067 3.760 -9.900 1.00 0.00 C ATOM 763 O LYS A 47 13.584 4.743 -9.372 1.00 0.00 O ATOM 764 CB LYS A 47 15.234 2.773 -10.653 1.00 0.00 C ATOM 765 CG LYS A 47 16.229 1.635 -10.488 1.00 0.00 C ATOM 766 CD LYS A 47 16.218 0.712 -11.695 1.00 0.00 C ATOM 767 CE LYS A 47 17.207 -0.431 -11.538 1.00 0.00 C ATOM 768 NZ LYS A 47 17.082 -1.424 -12.640 1.00 0.00 N ATOM 0 H LYS A 47 13.075 1.870 -11.928 1.00 0.00 H new ATOM 0 HA LYS A 47 13.973 1.989 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.135 3.006 -11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.631 3.664 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 47 17.230 2.042 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.988 1.066 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.215 0.309 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.461 1.283 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.222 -0.034 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.041 -0.927 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.795 -2.171 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.132 -1.846 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.232 -0.950 -13.553 1.00 0.00 H new ATOM 782 N THR A 48 11.817 3.749 -10.348 1.00 0.00 N ATOM 783 CA THR A 48 10.957 4.920 -10.249 1.00 0.00 C ATOM 784 C THR A 48 10.203 4.938 -8.919 1.00 0.00 C ATOM 785 O THR A 48 9.344 4.095 -8.679 1.00 0.00 O ATOM 786 CB THR A 48 9.961 4.959 -11.422 1.00 0.00 C ATOM 787 OG1 THR A 48 9.547 3.629 -11.753 1.00 0.00 O ATOM 788 CG2 THR A 48 10.602 5.602 -12.641 1.00 0.00 C ATOM 0 H THR A 48 11.376 2.939 -10.784 1.00 0.00 H new ATOM 0 HA THR A 48 11.591 5.805 -10.295 1.00 0.00 H new ATOM 0 HB THR A 48 9.095 5.549 -11.121 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.912 3.660 -12.499 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.885 5.622 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.904 6.621 -12.398 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.478 5.025 -12.939 1.00 0.00 H new ATOM 796 N PRO A 49 10.523 5.914 -8.045 1.00 0.00 N ATOM 797 CA PRO A 49 9.895 6.054 -6.716 1.00 0.00 C ATOM 798 C PRO A 49 8.374 6.189 -6.779 1.00 0.00 C ATOM 799 O PRO A 49 7.662 5.668 -5.919 1.00 0.00 O ATOM 800 CB PRO A 49 10.515 7.340 -6.162 1.00 0.00 C ATOM 801 CG PRO A 49 11.784 7.516 -6.921 1.00 0.00 C ATOM 802 CD PRO A 49 11.524 6.965 -8.289 1.00 0.00 C ATOM 0 HA PRO A 49 10.070 5.171 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.849 8.192 -6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.704 7.258 -5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.067 8.568 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.605 6.988 -6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.146 7.731 -8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.431 6.561 -8.739 1.00 0.00 H new ATOM 810 N GLU A 50 7.885 6.897 -7.795 1.00 0.00 N ATOM 811 CA GLU A 50 6.450 7.099 -7.974 1.00 0.00 C ATOM 812 C GLU A 50 5.749 5.776 -8.277 1.00 0.00 C ATOM 813 O GLU A 50 4.645 5.525 -7.795 1.00 0.00 O ATOM 814 CB GLU A 50 6.195 8.091 -9.108 1.00 0.00 C ATOM 815 CG GLU A 50 6.510 9.532 -8.744 1.00 0.00 C ATOM 816 CD GLU A 50 6.270 10.484 -9.898 1.00 0.00 C ATOM 817 OE1 GLU A 50 7.211 10.704 -10.690 1.00 0.00 O ATOM 818 OE2 GLU A 50 5.143 11.009 -10.011 1.00 0.00 O ATOM 0 H GLU A 50 8.464 7.341 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 50 6.045 7.502 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.796 7.804 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.150 8.022 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.896 9.832 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.550 9.605 -8.427 1.00 0.00 H new ATOM 825 N GLU A 51 6.405 4.938 -9.078 1.00 0.00 N ATOM 826 CA GLU A 51 5.861 3.638 -9.455 1.00 0.00 C ATOM 827 C GLU A 51 5.936 2.642 -8.296 1.00 0.00 C ATOM 828 O GLU A 51 5.090 1.759 -8.184 1.00 0.00 O ATOM 829 CB GLU A 51 6.601 3.081 -10.672 1.00 0.00 C ATOM 830 CG GLU A 51 5.743 2.185 -11.549 1.00 0.00 C ATOM 831 CD GLU A 51 4.785 2.968 -12.425 1.00 0.00 C ATOM 832 OE1 GLU A 51 5.194 3.385 -13.528 1.00 0.00 O ATOM 833 OE2 GLU A 51 3.623 3.163 -12.008 1.00 0.00 O ATOM 0 H GLU A 51 7.320 5.140 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 51 4.811 3.782 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.974 3.912 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.470 2.518 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.389 1.574 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.175 1.501 -10.918 1.00 0.00 H new ATOM 840 N GLN A 52 6.965 2.782 -7.451 1.00 0.00 N ATOM 841 CA GLN A 52 7.148 1.894 -6.298 1.00 0.00 C ATOM 842 C GLN A 52 5.950 1.964 -5.359 1.00 0.00 C ATOM 843 O GLN A 52 5.336 0.943 -5.045 1.00 0.00 O ATOM 844 CB GLN A 52 8.423 2.261 -5.531 1.00 0.00 C ATOM 845 CG GLN A 52 9.692 2.115 -6.354 1.00 0.00 C ATOM 846 CD GLN A 52 10.733 1.242 -5.686 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.449 1.683 -4.790 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.820 -0.007 -6.124 1.00 0.00 N ATOM 0 H GLN A 52 7.682 3.501 -7.545 1.00 0.00 H new ATOM 0 HA GLN A 52 7.238 0.876 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.343 3.290 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.499 1.629 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.441 1.692 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.116 3.102 -6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.204 -0.330 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.502 -0.645 -5.714 1.00 0.00 H new ATOM 857 N ALA A 53 5.620 3.177 -4.923 1.00 0.00 N ATOM 858 CA ALA A 53 4.494 3.393 -4.025 1.00 0.00 C ATOM 859 C ALA A 53 3.176 3.078 -4.723 1.00 0.00 C ATOM 860 O ALA A 53 2.256 2.540 -4.110 1.00 0.00 O ATOM 861 CB ALA A 53 4.497 4.825 -3.509 1.00 0.00 C ATOM 0 H ALA A 53 6.121 4.028 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 53 4.597 2.717 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.650 4.972 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.424 5.015 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.419 5.515 -4.349 1.00 0.00 H new ATOM 867 N LYS A 54 3.103 3.405 -6.016 1.00 0.00 N ATOM 868 CA LYS A 54 1.904 3.156 -6.813 1.00 0.00 C ATOM 869 C LYS A 54 1.614 1.662 -6.922 1.00 0.00 C ATOM 870 O LYS A 54 0.462 1.244 -6.857 1.00 0.00 O ATOM 871 CB LYS A 54 2.060 3.755 -8.212 1.00 0.00 C ATOM 872 CG LYS A 54 0.778 4.355 -8.759 1.00 0.00 C ATOM 873 CD LYS A 54 0.979 4.959 -10.140 1.00 0.00 C ATOM 874 CE LYS A 54 -0.316 5.546 -10.677 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.271 4.485 -11.098 1.00 0.00 N ATOM 0 H LYS A 54 3.865 3.844 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 54 1.065 3.634 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.830 4.526 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.409 2.980 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.009 3.584 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.416 5.123 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.741 5.736 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.346 4.194 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.778 6.168 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.097 6.195 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.121 4.925 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.821 3.876 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.539 3.912 -10.273 1.00 0.00 H new ATOM 889 N LYS A 55 2.673 0.868 -7.077 1.00 0.00 N ATOM 890 CA LYS A 55 2.547 -0.581 -7.198 1.00 0.00 C ATOM 891 C LYS A 55 2.001 -1.198 -5.921 1.00 0.00 C ATOM 892 O LYS A 55 1.156 -2.082 -5.972 1.00 0.00 O ATOM 893 CB LYS A 55 3.897 -1.208 -7.548 1.00 0.00 C ATOM 894 CG LYS A 55 3.907 -1.893 -8.906 1.00 0.00 C ATOM 895 CD LYS A 55 4.123 -0.889 -10.027 1.00 0.00 C ATOM 896 CE LYS A 55 3.809 -1.486 -11.389 1.00 0.00 C ATOM 897 NZ LYS A 55 4.057 -0.510 -12.486 1.00 0.00 N ATOM 0 H LYS A 55 3.633 1.209 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 55 1.840 -0.786 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.664 -0.434 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.163 -1.935 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.696 -2.645 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.963 -2.416 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.493 -0.016 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.157 -0.544 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.420 -2.375 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.768 -1.807 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.800 -0.940 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.481 0.342 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.064 -0.249 -12.498 1.00 0.00 H new ATOM 911 N LEU A 56 2.466 -0.708 -4.778 1.00 0.00 N ATOM 912 CA LEU A 56 2.023 -1.227 -3.491 1.00 0.00 C ATOM 913 C LEU A 56 0.554 -0.934 -3.239 1.00 0.00 C ATOM 914 O LEU A 56 -0.201 -1.830 -2.870 1.00 0.00 O ATOM 915 CB LEU A 56 2.853 -0.634 -2.369 1.00 0.00 C ATOM 916 CG LEU A 56 2.872 -1.455 -1.080 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.085 -2.370 -1.050 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.855 -0.542 0.137 1.00 0.00 C ATOM 0 H LEU A 56 3.149 0.047 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 56 2.156 -2.309 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.878 -0.512 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.473 0.362 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 56 1.976 -2.074 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.083 -2.947 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.050 -3.049 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.994 -1.771 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.869 -1.145 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.732 0.106 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.952 0.069 0.121 1.00 0.00 H new ATOM 930 N ILE A 57 0.156 0.322 -3.431 1.00 0.00 N ATOM 931 CA ILE A 57 -1.232 0.717 -3.221 1.00 0.00 C ATOM 932 C ILE A 57 -2.148 -0.003 -4.208 1.00 0.00 C ATOM 933 O ILE A 57 -3.300 -0.302 -3.901 1.00 0.00 O ATOM 934 CB ILE A 57 -1.420 2.245 -3.357 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.468 2.986 -2.417 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.861 2.638 -3.059 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.211 4.420 -2.827 1.00 0.00 C ATOM 0 H ILE A 57 0.772 1.078 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.499 0.432 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.189 2.526 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.882 2.973 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.481 2.452 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.972 3.718 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.527 2.137 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.116 2.341 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.472 4.885 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.232 4.440 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.152 4.970 -2.838 1.00 0.00 H new ATOM 949 N ASP A 58 -1.607 -0.303 -5.386 1.00 0.00 N ATOM 950 CA ASP A 58 -2.357 -0.995 -6.425 1.00 0.00 C ATOM 951 C ASP A 58 -2.456 -2.486 -6.124 1.00 0.00 C ATOM 952 O ASP A 58 -3.351 -3.164 -6.622 1.00 0.00 O ATOM 953 CB ASP A 58 -1.692 -0.786 -7.788 1.00 0.00 C ATOM 954 CG ASP A 58 -2.426 0.226 -8.645 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.262 1.440 -8.404 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.166 -0.197 -9.559 1.00 0.00 O ATOM 0 H ASP A 58 -0.647 -0.075 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.364 -0.578 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.664 -0.454 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.646 -1.739 -8.316 1.00 0.00 H new ATOM 961 N PHE A 59 -1.538 -2.994 -5.301 1.00 0.00 N ATOM 962 CA PHE A 59 -1.541 -4.410 -4.959 1.00 0.00 C ATOM 963 C PHE A 59 -2.470 -4.713 -3.786 1.00 0.00 C ATOM 964 O PHE A 59 -3.099 -5.768 -3.747 1.00 0.00 O ATOM 965 CB PHE A 59 -0.120 -4.893 -4.656 1.00 0.00 C ATOM 966 CG PHE A 59 0.591 -5.412 -5.874 1.00 0.00 C ATOM 967 CD1 PHE A 59 -0.013 -6.353 -6.690 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.851 -4.945 -6.213 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.624 -6.818 -7.823 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.495 -5.409 -7.345 1.00 0.00 C ATOM 971 CZ PHE A 59 1.879 -6.346 -8.151 1.00 0.00 C ATOM 0 H PHE A 59 -0.793 -2.451 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.922 -4.952 -5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.455 -4.071 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.161 -5.679 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.994 -6.728 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.335 -4.211 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.141 -7.551 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.478 -5.039 -7.598 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.379 -6.709 -9.037 1.00 0.00 H new ATOM 981 N ILE A 60 -2.570 -3.782 -2.840 1.00 0.00 N ATOM 982 CA ILE A 60 -3.427 -3.977 -1.671 1.00 0.00 C ATOM 983 C ILE A 60 -4.882 -3.608 -1.958 1.00 0.00 C ATOM 984 O ILE A 60 -5.800 -4.172 -1.362 1.00 0.00 O ATOM 985 CB ILE A 60 -2.924 -3.167 -0.453 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.626 -1.714 -0.839 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.684 -3.818 0.132 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.696 -0.737 -0.406 1.00 0.00 C ATOM 0 H ILE A 60 -2.073 -2.892 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.379 -5.040 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.713 -3.162 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.675 -1.418 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.507 -1.652 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.339 -3.239 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.922 -4.833 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.899 -3.851 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.415 0.270 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.645 -1.007 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.800 -0.769 0.679 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.093 -2.670 -2.879 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.442 -2.232 -3.230 1.00 0.00 C ATOM 1002 C LEU A 61 -7.094 -3.186 -4.226 1.00 0.00 C ATOM 1003 O LEU A 61 -8.289 -3.086 -4.503 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.410 -0.818 -3.814 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.696 -0.013 -3.628 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.759 0.572 -2.226 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.789 1.088 -4.673 1.00 0.00 C ATOM 0 H LEU A 61 -4.349 -2.200 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.036 -2.231 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.587 -0.270 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.193 -0.886 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.546 -0.683 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.681 1.142 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.737 -0.235 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.904 1.229 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.710 1.652 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.934 1.757 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.789 0.645 -5.669 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.306 -4.115 -4.754 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.804 -5.078 -5.726 1.00 0.00 C ATOM 1021 C LYS A 62 -7.143 -6.412 -5.076 1.00 0.00 C ATOM 1022 O LYS A 62 -7.734 -7.287 -5.707 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.762 -5.293 -6.816 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.366 -5.546 -8.181 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.290 -5.725 -9.232 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.890 -6.031 -10.592 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.840 -6.211 -11.630 1.00 0.00 N ATOM 0 H LYS A 62 -5.318 -4.221 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.719 -4.672 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.116 -4.417 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.131 -6.139 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.994 -6.436 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.012 -4.712 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.686 -4.820 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.622 -6.534 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.496 -6.935 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.557 -5.220 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.288 -6.418 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.278 -5.340 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.219 -7.001 -11.362 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.774 -6.564 -3.812 1.00 0.00 N ATOM 1042 CA LEU A 63 -7.035 -7.803 -3.094 1.00 0.00 C ATOM 1043 C LEU A 63 -8.343 -7.733 -2.316 1.00 0.00 C ATOM 1044 O LEU A 63 -9.027 -6.708 -2.311 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.878 -8.126 -2.152 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.592 -8.584 -2.844 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.396 -8.372 -1.933 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.697 -10.045 -3.259 1.00 0.00 C ATOM 0 H LEU A 63 -6.295 -5.849 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.126 -8.600 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.657 -7.241 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.198 -8.905 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.452 -7.984 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.489 -8.703 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.309 -7.314 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.530 -8.947 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.773 -10.351 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.862 -10.663 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.532 -10.168 -3.949 1.00 0.00 H new ATOM 1060 N SER A 64 -8.681 -8.837 -1.658 1.00 0.00 N ATOM 1061 CA SER A 64 -9.906 -8.931 -0.876 1.00 0.00 C ATOM 1062 C SER A 64 -9.768 -8.204 0.466 1.00 0.00 C ATOM 1063 O SER A 64 -8.658 -7.927 0.919 1.00 0.00 O ATOM 1064 CB SER A 64 -10.257 -10.405 -0.653 1.00 0.00 C ATOM 1065 OG SER A 64 -9.164 -11.113 -0.095 1.00 0.00 O ATOM 0 H SER A 64 -8.116 -9.686 -1.652 1.00 0.00 H new ATOM 0 HA SER A 64 -10.710 -8.446 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.119 -10.480 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.543 -10.861 -1.601 1.00 0.00 H new ATOM 0 HG SER A 64 -9.416 -12.051 0.039 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.907 -7.875 1.107 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.927 -7.183 2.407 1.00 0.00 C ATOM 1073 C PRO A 65 -10.175 -7.936 3.509 1.00 0.00 C ATOM 1074 O PRO A 65 -9.697 -7.326 4.459 1.00 0.00 O ATOM 1075 CB PRO A 65 -12.417 -7.095 2.747 1.00 0.00 C ATOM 1076 CG PRO A 65 -13.122 -7.228 1.442 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.269 -8.133 0.606 1.00 0.00 C ATOM 0 HA PRO A 65 -10.426 -6.217 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.711 -7.886 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.656 -6.147 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.119 -7.646 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.246 -6.256 0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.551 -9.179 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.358 -7.902 -0.455 1.00 0.00 H new ATOM 1085 N ALA A 66 -10.091 -9.260 3.394 1.00 0.00 N ATOM 1086 CA ALA A 66 -9.398 -10.074 4.392 1.00 0.00 C ATOM 1087 C ALA A 66 -7.877 -9.977 4.247 1.00 0.00 C ATOM 1088 O ALA A 66 -7.141 -10.187 5.211 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.854 -11.522 4.285 1.00 0.00 C ATOM 0 H ALA A 66 -10.493 -9.791 2.622 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.654 -9.688 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.334 -12.123 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.929 -11.579 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.626 -11.903 3.289 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.419 -9.654 3.040 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.989 -9.534 2.759 1.00 0.00 C ATOM 1097 C ASP A 67 -5.395 -8.235 3.318 1.00 0.00 C ATOM 1098 O ASP A 67 -4.258 -8.225 3.793 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.747 -9.616 1.250 1.00 0.00 C ATOM 1100 CG ASP A 67 -4.458 -10.336 0.898 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -3.372 -9.793 1.192 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.537 -11.443 0.324 1.00 0.00 O ATOM 0 H ASP A 67 -8.020 -9.470 2.237 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.486 -10.362 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.585 -10.131 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.719 -8.608 0.836 1.00 0.00 H new ATOM 1107 N VAL A 68 -6.166 -7.145 3.276 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.682 -5.848 3.764 1.00 0.00 C ATOM 1109 C VAL A 68 -5.513 -5.827 5.285 1.00 0.00 C ATOM 1110 O VAL A 68 -4.662 -5.104 5.799 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.582 -4.662 3.334 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -6.373 -4.332 1.864 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -8.048 -4.940 3.616 1.00 0.00 C ATOM 0 H VAL A 68 -7.119 -7.132 2.913 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.706 -5.720 3.296 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.290 -3.797 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.015 -3.497 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.331 -4.061 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.624 -5.202 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.647 -4.086 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.363 -5.827 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.188 -5.107 4.684 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.341 -6.602 5.994 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.296 -6.674 7.461 1.00 0.00 C ATOM 1125 C GLN A 69 -4.878 -6.929 7.986 1.00 0.00 C ATOM 1126 O GLN A 69 -4.474 -6.352 8.995 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.238 -7.773 7.963 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.505 -7.241 8.618 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.588 -6.900 7.612 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.471 -7.712 7.334 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -9.527 -5.695 7.058 1.00 0.00 N ATOM 0 H GLN A 69 -7.057 -7.194 5.572 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.620 -5.706 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.514 -8.413 7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.704 -8.398 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.887 -7.985 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.262 -6.351 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.778 -5.052 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.229 -5.412 6.374 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.128 -7.784 7.288 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.758 -8.122 7.680 1.00 0.00 C ATOM 1142 C ALA A 70 -1.807 -6.937 7.495 1.00 0.00 C ATOM 1143 O ALA A 70 -0.842 -6.783 8.247 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.273 -9.319 6.877 1.00 0.00 C ATOM 0 H ALA A 70 -4.449 -8.258 6.443 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.764 -8.374 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.253 -9.566 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.923 -10.173 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.294 -9.077 5.814 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.089 -6.107 6.490 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.268 -4.933 6.187 1.00 0.00 C ATOM 1152 C ARG A 71 -1.478 -3.827 7.214 1.00 0.00 C ATOM 1153 O ARG A 71 -0.557 -3.072 7.524 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.601 -4.402 4.795 1.00 0.00 C ATOM 1155 CG ARG A 71 -1.218 -5.353 3.673 1.00 0.00 C ATOM 1156 CD ARG A 71 0.160 -5.031 3.125 1.00 0.00 C ATOM 1157 NE ARG A 71 0.512 -5.875 1.985 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.388 -5.518 1.048 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.990 -4.339 1.119 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.664 -6.340 0.044 1.00 0.00 N ATOM 0 H ARG A 71 -2.887 -6.228 5.867 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.224 -5.243 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.671 -4.199 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.088 -3.452 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.235 -6.379 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.954 -5.289 2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.194 -3.984 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.902 -5.160 3.913 1.00 0.00 H new ATOM 0 HE ARG A 71 0.062 -6.787 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.782 -3.706 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.661 -4.065 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.205 -7.249 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.336 -6.063 -0.672 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.698 -3.727 7.732 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.022 -2.714 8.728 1.00 0.00 C ATOM 1176 C ILE A 72 -2.392 -3.080 10.073 1.00 0.00 C ATOM 1177 O ILE A 72 -2.008 -2.205 10.851 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.555 -2.544 8.887 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.187 -2.143 7.553 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -4.891 -1.506 9.952 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.483 -2.864 7.256 1.00 0.00 C ATOM 0 H ILE A 72 -3.477 -4.335 7.478 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.614 -1.764 8.384 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.964 -3.503 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.371 -1.069 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.478 -2.343 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.973 -1.411 10.039 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.477 -1.820 10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.464 -0.544 9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.873 -2.530 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.302 -3.938 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.209 -2.645 8.039 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.263 -4.386 10.322 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.677 -4.887 11.565 1.00 0.00 C ATOM 1195 C ASN A 73 -0.184 -4.572 11.647 1.00 0.00 C ATOM 1196 O ASN A 73 0.315 -4.180 12.703 1.00 0.00 O ATOM 1197 CB ASN A 73 -1.885 -6.399 11.685 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.320 -6.773 12.009 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.033 -6.026 12.679 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.750 -7.937 11.537 1.00 0.00 N ATOM 0 H ASN A 73 -2.558 -5.117 9.675 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.183 -4.383 12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.593 -6.876 10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.228 -6.791 12.462 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.705 -8.242 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.126 -8.526 10.986 1.00 0.00 H new ATOM 1207 N VAL A 74 0.527 -4.742 10.531 1.00 0.00 N ATOM 1208 CA VAL A 74 1.964 -4.475 10.483 1.00 0.00 C ATOM 1209 C VAL A 74 2.246 -2.969 10.527 1.00 0.00 C ATOM 1210 O VAL A 74 3.221 -2.530 11.134 1.00 0.00 O ATOM 1211 CB VAL A 74 2.636 -5.122 9.239 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.234 -4.420 7.951 1.00 0.00 C ATOM 1213 CG2 VAL A 74 4.151 -5.135 9.383 1.00 0.00 C ATOM 0 H VAL A 74 0.130 -5.064 9.648 1.00 0.00 H new ATOM 0 HA VAL A 74 2.403 -4.935 11.368 1.00 0.00 H new ATOM 0 HB VAL A 74 2.282 -6.151 9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.725 -4.902 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.153 -4.480 7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.536 -3.374 7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.597 -5.593 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.516 -4.113 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.428 -5.709 10.268 1.00 0.00 H new ATOM 1223 N LEU A 75 1.374 -2.187 9.893 1.00 0.00 N ATOM 1224 CA LEU A 75 1.527 -0.735 9.846 1.00 0.00 C ATOM 1225 C LEU A 75 1.304 -0.097 11.214 1.00 0.00 C ATOM 1226 O LEU A 75 2.019 0.829 11.593 1.00 0.00 O ATOM 1227 CB LEU A 75 0.544 -0.146 8.830 1.00 0.00 C ATOM 1228 CG LEU A 75 1.045 1.091 8.087 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.225 0.737 7.198 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.075 1.708 7.264 1.00 0.00 C ATOM 0 H LEU A 75 0.551 -2.537 9.403 1.00 0.00 H new ATOM 0 HA LEU A 75 2.550 -0.516 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.297 -0.915 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.380 0.110 9.348 1.00 0.00 H new ATOM 0 HG LEU A 75 1.376 1.824 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.569 1.630 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.035 0.340 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.919 -0.013 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.300 2.588 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.436 0.980 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.893 1.998 7.923 1.00 0.00 H new ATOM 1242 N ARG A 76 0.329 -0.608 11.955 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.002 -0.076 13.274 1.00 0.00 C ATOM 1244 C ARG A 76 1.079 -0.375 14.316 1.00 0.00 C ATOM 1245 O ARG A 76 1.359 0.455 15.182 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.344 -0.647 13.743 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.549 0.012 13.089 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.287 0.920 14.058 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.060 0.159 15.036 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.721 0.709 16.051 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.707 2.025 16.228 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.399 -0.062 16.890 1.00 0.00 N ATOM 0 H ARG A 76 -0.251 -1.395 11.664 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.068 1.008 13.177 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.367 -1.716 13.534 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.420 -0.532 14.824 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.223 0.590 12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.229 -0.756 12.721 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.570 1.556 14.577 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.954 1.579 13.502 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.095 -0.855 14.935 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.187 2.621 15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.216 2.440 17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.412 -1.073 16.756 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.907 0.356 17.669 1.00 0.00 H new ATOM 1266 N ALA A 77 1.698 -1.548 14.223 1.00 0.00 N ATOM 1267 CA ALA A 77 2.719 -1.949 15.189 1.00 0.00 C ATOM 1268 C ALA A 77 4.121 -1.452 14.828 1.00 0.00 C ATOM 1269 O ALA A 77 5.018 -1.479 15.670 1.00 0.00 O ATOM 1270 CB ALA A 77 2.724 -3.461 15.346 1.00 0.00 C ATOM 0 H ALA A 77 1.513 -2.236 13.493 1.00 0.00 H new ATOM 0 HA ALA A 77 2.456 -1.477 16.136 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.488 -3.749 16.068 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.748 -3.793 15.699 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.940 -3.926 14.384 1.00 0.00 H new ATOM 1276 N HIS A 78 4.314 -0.993 13.593 1.00 0.00 N ATOM 1277 CA HIS A 78 5.631 -0.513 13.166 1.00 0.00 C ATOM 1278 C HIS A 78 5.798 0.990 13.385 1.00 0.00 C ATOM 1279 O HIS A 78 6.882 1.536 13.172 1.00 0.00 O ATOM 1280 CB HIS A 78 5.886 -0.867 11.698 1.00 0.00 C ATOM 1281 CG HIS A 78 6.636 -2.154 11.533 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.972 -2.209 11.197 1.00 0.00 N ATOM 1283 CD2 HIS A 78 6.235 -3.439 11.685 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.360 -3.473 11.151 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.324 -4.236 11.445 1.00 0.00 N ATOM 0 H HIS A 78 3.588 -0.942 12.878 1.00 0.00 H new ATOM 0 HA HIS A 78 6.371 -1.017 13.788 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.932 -0.938 11.175 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.449 -0.061 11.227 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.242 -3.773 11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.354 -3.821 10.913 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.332 -5.255 11.487 1.00 0.00 H new ATOM 1294 N GLY A 79 4.729 1.658 13.810 1.00 0.00 N ATOM 1295 CA GLY A 79 4.804 3.089 14.061 1.00 0.00 C ATOM 1296 C GLY A 79 4.145 3.921 12.976 1.00 0.00 C ATOM 1297 O GLY A 79 4.077 5.145 13.085 1.00 0.00 O ATOM 0 H GLY A 79 3.816 1.238 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.330 3.309 15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.850 3.382 14.149 1.00 0.00 H new ATOM 1301 N TYR A 80 3.653 3.258 11.935 1.00 0.00 N ATOM 1302 CA TYR A 80 2.992 3.944 10.825 1.00 0.00 C ATOM 1303 C TYR A 80 1.474 3.927 11.028 1.00 0.00 C ATOM 1304 O TYR A 80 0.703 3.643 10.111 1.00 0.00 O ATOM 1305 CB TYR A 80 3.381 3.282 9.501 1.00 0.00 C ATOM 1306 CG TYR A 80 4.855 3.413 9.171 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.355 4.569 8.588 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.744 2.380 9.445 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.699 4.696 8.288 1.00 0.00 C ATOM 1310 CE2 TYR A 80 7.088 2.498 9.149 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.560 3.657 8.568 1.00 0.00 C ATOM 1312 OH TYR A 80 8.899 3.774 8.271 1.00 0.00 O ATOM 0 H TYR A 80 3.698 2.244 11.834 1.00 0.00 H new ATOM 0 HA TYR A 80 3.317 4.984 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.118 2.225 9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.795 3.726 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.682 5.384 8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.378 1.470 9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.072 5.604 7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.766 1.687 9.371 1.00 0.00 H new ATOM 0 HH TYR A 80 9.006 4.272 7.434 1.00 0.00 H new ATOM 1322 N GLN A 81 1.076 4.249 12.254 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.329 4.276 12.672 1.00 0.00 C ATOM 1324 C GLN A 81 -1.140 5.357 11.958 1.00 0.00 C ATOM 1325 O GLN A 81 -2.278 5.113 11.561 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.416 4.496 14.182 1.00 0.00 C ATOM 1327 CG GLN A 81 0.100 3.329 15.003 1.00 0.00 C ATOM 1328 CD GLN A 81 0.155 3.639 16.486 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.815 3.430 17.211 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.295 4.143 16.943 1.00 0.00 N ATOM 0 H GLN A 81 1.726 4.503 12.998 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.758 3.312 12.399 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.151 5.390 14.442 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.454 4.687 14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.542 2.463 14.840 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.097 3.057 14.655 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.075 4.300 16.305 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.391 4.373 17.932 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.557 6.552 11.816 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.234 7.671 11.151 1.00 0.00 C ATOM 1341 C ALA A 82 -1.643 7.296 9.732 1.00 0.00 C ATOM 1342 O ALA A 82 -2.687 7.721 9.237 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.330 8.896 11.136 1.00 0.00 C ATOM 0 H ALA A 82 0.381 6.769 12.152 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.139 7.906 11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.842 9.720 10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.088 9.182 12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.589 8.664 10.598 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.802 6.494 9.093 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.043 6.027 7.738 1.00 0.00 C ATOM 1351 C LEU A 83 -2.138 4.961 7.710 1.00 0.00 C ATOM 1352 O LEU A 83 -2.983 4.948 6.813 1.00 0.00 O ATOM 1353 CB LEU A 83 0.255 5.464 7.167 1.00 0.00 C ATOM 1354 CG LEU A 83 1.211 6.516 6.604 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.629 6.255 7.075 1.00 0.00 C ATOM 1356 CD2 LEU A 83 1.148 6.538 5.087 1.00 0.00 C ATOM 0 H LEU A 83 0.067 6.150 9.501 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.381 6.866 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.769 4.906 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.011 4.754 6.377 1.00 0.00 H new ATOM 0 HG LEU A 83 0.901 7.493 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.294 7.014 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.664 6.293 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.949 5.270 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.835 7.293 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.430 5.560 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.133 6.777 4.768 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.122 4.083 8.714 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.094 2.996 8.818 1.00 0.00 C ATOM 1370 C ALA A 84 -4.497 3.507 9.143 1.00 0.00 C ATOM 1371 O ALA A 84 -5.485 2.830 8.865 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.642 1.987 9.866 1.00 0.00 C ATOM 0 H ALA A 84 -1.440 4.105 9.472 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.145 2.508 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.373 1.182 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.674 1.575 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.555 2.482 10.833 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.580 4.700 9.726 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.865 5.295 10.087 1.00 0.00 C ATOM 1380 C ASP A 85 -6.544 5.932 8.876 1.00 0.00 C ATOM 1381 O ASP A 85 -7.773 5.999 8.804 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.669 6.344 11.184 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.885 6.482 12.078 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.004 5.695 13.041 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.717 7.377 11.818 1.00 0.00 O ATOM 0 H ASP A 85 -3.771 5.275 9.959 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.510 4.498 10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.805 6.074 11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.448 7.308 10.725 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.737 6.390 7.922 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.258 7.036 6.723 1.00 0.00 C ATOM 1392 C LYS A 86 -6.831 6.024 5.732 1.00 0.00 C ATOM 1393 O LYS A 86 -7.933 6.211 5.221 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.162 7.866 6.050 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.836 9.154 6.793 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.748 9.948 6.088 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.407 11.223 6.843 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.346 12.011 6.154 1.00 0.00 N ATOM 0 H LYS A 86 -4.720 6.325 7.957 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.071 7.692 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.258 7.263 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.474 8.110 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.736 9.764 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.515 8.918 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.854 9.333 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.075 10.199 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.304 11.834 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.075 10.971 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.143 12.872 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.482 11.437 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.672 12.274 5.202 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.092 4.947 5.471 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.543 3.929 4.524 1.00 0.00 C ATOM 1414 C LEU A 87 -7.688 3.086 5.089 1.00 0.00 C ATOM 1415 O LEU A 87 -8.490 2.547 4.331 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.380 3.020 4.102 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.543 2.430 5.242 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.020 1.029 5.593 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.072 2.404 4.858 1.00 0.00 C ATOM 0 H LEU A 87 -5.185 4.757 5.898 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.918 4.457 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.783 2.198 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.719 3.589 3.448 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.666 3.064 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.411 0.630 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.063 1.068 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.928 0.384 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.490 1.982 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.940 1.792 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.731 3.419 4.655 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.763 2.979 6.415 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.808 2.188 7.065 1.00 0.00 C ATOM 1433 C ASN A 88 -10.180 2.845 6.933 1.00 0.00 C ATOM 1434 O ASN A 88 -11.187 2.161 6.749 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.476 1.987 8.544 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.028 0.684 9.088 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.404 -0.368 8.960 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.203 0.749 9.703 1.00 0.00 N ATOM 0 H ASN A 88 -7.114 3.429 7.060 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.846 1.221 6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.394 2.004 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.880 2.819 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.622 -0.095 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.686 1.643 9.787 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.212 4.172 7.019 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.467 4.911 6.932 1.00 0.00 C ATOM 1447 C LYS A 89 -12.014 4.939 5.508 1.00 0.00 C ATOM 1448 O LYS A 89 -13.215 4.770 5.300 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.279 6.337 7.448 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.527 6.913 8.094 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.288 8.315 8.623 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.554 8.895 9.229 1.00 0.00 C ATOM 1453 NZ LYS A 89 -13.334 10.259 9.779 1.00 0.00 N ATOM 0 H LYS A 89 -9.386 4.756 7.148 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.195 4.393 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.465 6.349 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.978 6.979 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.338 6.932 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.846 6.265 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.498 8.294 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.941 8.958 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.335 8.932 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.911 8.238 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.223 10.618 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.607 10.221 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.018 10.894 9.018 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.133 5.157 4.534 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.537 5.200 3.129 1.00 0.00 C ATOM 1469 C TYR A 90 -11.971 3.819 2.651 1.00 0.00 C ATOM 1470 O TYR A 90 -12.773 3.688 1.728 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.387 5.714 2.263 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.270 7.218 2.254 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.957 7.983 1.322 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.473 7.876 3.182 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.854 9.360 1.315 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.364 9.251 3.182 1.00 0.00 C ATOM 1477 CZ TYR A 90 -10.055 9.988 2.248 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.948 11.357 2.248 1.00 0.00 O ATOM 0 H TYR A 90 -10.136 5.306 4.691 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.383 5.881 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.451 5.286 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.526 5.362 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.582 7.493 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.929 7.301 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.396 9.942 0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.740 9.746 3.911 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.624 11.738 1.650 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.425 2.794 3.295 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.733 1.412 2.963 1.00 0.00 C ATOM 1490 C LEU A 91 -13.159 1.046 3.376 1.00 0.00 C ATOM 1491 O LEU A 91 -13.852 0.320 2.664 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.730 0.498 3.660 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.039 -0.992 3.592 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.191 -1.662 2.523 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.805 -1.628 4.952 1.00 0.00 C ATOM 0 H LEU A 91 -10.758 2.899 4.060 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.661 1.286 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.746 0.667 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.667 0.790 4.708 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.086 -1.128 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.424 -2.726 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.404 -1.211 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.135 -1.530 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.027 -2.694 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.764 -1.489 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.455 -1.158 5.690 1.00 0.00 H new ATOM 1507 N THR A 92 -13.592 1.554 4.529 1.00 0.00 N ATOM 1508 CA THR A 92 -14.934 1.275 5.033 1.00 0.00 C ATOM 1509 C THR A 92 -15.892 2.431 4.750 1.00 0.00 C ATOM 1510 O THR A 92 -16.979 2.503 5.330 1.00 0.00 O ATOM 1511 CB THR A 92 -14.929 0.977 6.545 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.695 0.350 6.921 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.095 0.071 6.914 1.00 0.00 C ATOM 0 H THR A 92 -13.033 2.160 5.130 1.00 0.00 H new ATOM 0 HA THR A 92 -15.281 0.388 4.503 1.00 0.00 H new ATOM 0 HB THR A 92 -15.031 1.921 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.977 1.017 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.076 -0.129 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.033 0.561 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.012 -0.869 6.368 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.474 3.342 3.869 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.293 4.498 3.498 1.00 0.00 C ATOM 1523 C LEU A 93 -17.696 4.065 3.083 1.00 0.00 C ATOM 1524 O LEU A 93 -18.686 4.674 3.488 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.634 5.273 2.357 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.020 6.750 2.269 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.166 7.581 3.211 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.879 7.249 0.840 1.00 0.00 C ATOM 0 H LEU A 93 -14.570 3.301 3.398 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.374 5.145 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.552 5.202 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.890 4.790 1.414 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.062 6.854 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.455 8.629 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.314 7.237 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.116 7.473 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.157 8.302 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.845 7.132 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.533 6.671 0.187 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.769 3.007 2.281 1.00 0.00 N ATOM 1541 CA GLU A 94 -19.047 2.483 1.821 1.00 0.00 C ATOM 1542 C GLU A 94 -19.039 0.957 1.830 1.00 0.00 C ATOM 1543 O GLU A 94 -19.934 0.365 2.470 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.367 3.006 0.415 1.00 0.00 C ATOM 1545 CG GLU A 94 -19.940 4.417 0.399 1.00 0.00 C ATOM 1546 CD GLU A 94 -20.313 4.879 -0.996 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -19.402 5.265 -1.756 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -21.518 4.853 -1.330 1.00 0.00 O ATOM 0 H GLU A 94 -16.956 2.496 1.937 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.823 2.827 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -18.457 2.987 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.077 2.330 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.822 4.454 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.210 5.106 0.823 1.00 0.00 H new TER 1555 GLU A 94