USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 73 ASN :FLIP amide:sc= 0 X(o=-2.8,f=-2.7) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.75 F(o=-6.6!,f=-2.7) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 2.2: A 13 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.018) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.63! C(o=-2.6!,f=-9.3!) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 0.537 (180deg=0.163) USER MOD Single : A 19 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.6) USER MOD Single : A 23 THR OG1 : rot 140:sc= -2.39! USER MOD Single : A 24 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.16) USER MOD Single : A 25 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.77) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.0488 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -24:sc= 0.198! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 64 THR OG1 : rot -150:sc= -3.71! USER MOD Single : A 66 GLN : amide:sc= -2.1 K(o=-2.1,f=-8!) USER MOD Single : A 71 TYR OH : rot -56:sc= -1.52! USER MOD Single : A 75 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.008 -8.406 -10.877 1.00 0.00 N ATOM 27 CA ILE A 3 -2.147 -7.865 -9.839 1.00 0.00 C ATOM 28 C ILE A 3 -2.598 -6.443 -9.498 1.00 0.00 C ATOM 29 O ILE A 3 -3.108 -6.195 -8.406 1.00 0.00 O ATOM 30 CB ILE A 3 -0.678 -7.961 -10.256 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.009 -9.186 -9.629 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.070 -6.668 -9.929 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.924 -8.776 -8.488 1.00 0.00 C ATOM 0 HA ILE A 3 -2.234 -8.455 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.637 -8.091 -11.337 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.771 -9.869 -9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.556 -9.726 -10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.112 -6.763 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.391 -5.836 -10.462 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.023 -6.482 -8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.387 -9.665 -8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.699 -8.113 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.352 -8.258 -7.718 1.00 0.00 H new ATOM 45 N GLU A 4 -2.393 -5.547 -10.452 1.00 0.00 N ATOM 46 CA GLU A 4 -2.772 -4.157 -10.266 1.00 0.00 C ATOM 47 C GLU A 4 -4.167 -4.065 -9.645 1.00 0.00 C ATOM 48 O GLU A 4 -4.478 -3.101 -8.947 1.00 0.00 O ATOM 49 CB GLU A 4 -2.709 -3.390 -11.589 1.00 0.00 C ATOM 50 CG GLU A 4 -3.580 -2.133 -11.536 1.00 0.00 C ATOM 51 CD GLU A 4 -4.991 -2.421 -12.052 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.156 -3.201 -13.001 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.936 -1.801 -11.430 1.00 0.00 O ATOM 0 H GLU A 4 -1.969 -5.757 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.060 -3.695 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.677 -3.113 -11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.042 -4.034 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.632 -1.765 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.124 -1.345 -12.135 1.00 0.00 H new ATOM 61 N GLU A 5 -4.971 -5.082 -9.920 1.00 0.00 N ATOM 62 CA GLU A 5 -6.326 -5.128 -9.397 1.00 0.00 C ATOM 63 C GLU A 5 -6.307 -5.050 -7.869 1.00 0.00 C ATOM 64 O GLU A 5 -6.525 -3.983 -7.296 1.00 0.00 O ATOM 65 CB GLU A 5 -7.054 -6.386 -9.873 1.00 0.00 C ATOM 66 CG GLU A 5 -8.342 -6.026 -10.617 1.00 0.00 C ATOM 67 CD GLU A 5 -8.032 -5.312 -11.935 1.00 0.00 C ATOM 68 OE1 GLU A 5 -6.973 -4.679 -12.063 1.00 0.00 O ATOM 69 OE2 GLU A 5 -8.937 -5.432 -12.846 1.00 0.00 O ATOM 0 H GLU A 5 -4.710 -5.881 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.872 -4.266 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.401 -6.963 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.289 -7.020 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.917 -6.931 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.962 -5.386 -9.989 1.00 0.00 H new ATOM 77 N ARG A 6 -6.046 -6.193 -7.253 1.00 0.00 N ATOM 78 CA ARG A 6 -5.997 -6.267 -5.803 1.00 0.00 C ATOM 79 C ARG A 6 -5.201 -5.089 -5.238 1.00 0.00 C ATOM 80 O ARG A 6 -5.400 -4.695 -4.090 1.00 0.00 O ATOM 81 CB ARG A 6 -5.354 -7.576 -5.340 1.00 0.00 C ATOM 82 CG ARG A 6 -3.919 -7.695 -5.856 1.00 0.00 C ATOM 83 CD ARG A 6 -3.243 -8.955 -5.312 1.00 0.00 C ATOM 84 NE ARG A 6 -3.100 -9.959 -6.390 1.00 0.00 N ATOM 85 CZ ARG A 6 -2.748 -11.246 -6.184 1.00 0.00 C ATOM 86 NH1 ARG A 6 -2.499 -11.697 -4.936 1.00 0.00 N ATOM 87 NH2 ARG A 6 -2.651 -12.057 -7.221 1.00 0.00 N ATOM 0 H ARG A 6 -5.866 -7.076 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.022 -6.228 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.357 -7.622 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.944 -8.421 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.922 -7.721 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.348 -6.815 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.263 -8.705 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.832 -9.369 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.279 -9.660 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.576 -11.064 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.234 -12.671 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.841 -11.708 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.386 -13.032 -7.083 1.00 0.00 H new ATOM 100 N VAL A 7 -4.317 -4.559 -6.071 1.00 0.00 N ATOM 101 CA VAL A 7 -3.491 -3.434 -5.668 1.00 0.00 C ATOM 102 C VAL A 7 -4.336 -2.158 -5.674 1.00 0.00 C ATOM 103 O VAL A 7 -4.447 -1.478 -4.655 1.00 0.00 O ATOM 104 CB VAL A 7 -2.260 -3.339 -6.572 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.533 -2.008 -6.371 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.315 -4.520 -6.337 1.00 0.00 C ATOM 0 H VAL A 7 -4.155 -4.888 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.123 -3.575 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.600 -3.382 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.662 -1.967 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.207 -1.186 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.211 -1.922 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.448 -4.428 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.986 -4.522 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.837 -5.452 -6.554 1.00 0.00 H new ATOM 116 N LYS A 8 -4.910 -1.872 -6.833 1.00 0.00 N ATOM 117 CA LYS A 8 -5.742 -0.691 -6.985 1.00 0.00 C ATOM 118 C LYS A 8 -6.906 -0.761 -5.995 1.00 0.00 C ATOM 119 O LYS A 8 -7.565 0.244 -5.733 1.00 0.00 O ATOM 120 CB LYS A 8 -6.182 -0.529 -8.441 1.00 0.00 C ATOM 121 CG LYS A 8 -7.707 -0.465 -8.549 1.00 0.00 C ATOM 122 CD LYS A 8 -8.333 -1.836 -8.286 1.00 0.00 C ATOM 123 CE LYS A 8 -9.621 -2.015 -9.093 1.00 0.00 C ATOM 124 NZ LYS A 8 -10.722 -2.475 -8.218 1.00 0.00 N ATOM 0 H LYS A 8 -4.815 -2.438 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.174 0.208 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.746 0.379 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.807 -1.364 -9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.096 0.260 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.991 -0.116 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.623 -2.620 -8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.548 -1.944 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.895 -1.072 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.458 -2.737 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.588 -2.591 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.465 -3.386 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.888 -1.772 -7.470 1.00 0.00 H new ATOM 137 N LYS A 9 -7.124 -1.958 -5.471 1.00 0.00 N ATOM 138 CA LYS A 9 -8.197 -2.173 -4.515 1.00 0.00 C ATOM 139 C LYS A 9 -7.752 -1.680 -3.137 1.00 0.00 C ATOM 140 O LYS A 9 -8.334 -0.743 -2.591 1.00 0.00 O ATOM 141 CB LYS A 9 -8.644 -3.636 -4.531 1.00 0.00 C ATOM 142 CG LYS A 9 -10.169 -3.743 -4.584 1.00 0.00 C ATOM 143 CD LYS A 9 -10.793 -3.358 -3.241 1.00 0.00 C ATOM 144 CE LYS A 9 -12.214 -2.825 -3.429 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.973 -2.912 -2.161 1.00 0.00 N ATOM 0 H LYS A 9 -6.576 -2.790 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.077 -1.593 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.210 -4.143 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.271 -4.144 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.556 -3.092 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.457 -4.762 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.811 -4.226 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.178 -2.601 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.178 -1.790 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.723 -3.397 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.712 -2.180 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.414 -3.851 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.327 -2.767 -1.359 1.00 0.00 H new ATOM 158 N ILE A 10 -6.726 -2.333 -2.613 1.00 0.00 N ATOM 159 CA ILE A 10 -6.197 -1.973 -1.308 1.00 0.00 C ATOM 160 C ILE A 10 -5.785 -0.500 -1.318 1.00 0.00 C ATOM 161 O ILE A 10 -6.018 0.220 -0.349 1.00 0.00 O ATOM 162 CB ILE A 10 -5.067 -2.924 -0.907 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.623 -4.198 -0.268 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.056 -2.222 0.001 1.00 0.00 C ATOM 165 CD1 ILE A 10 -4.816 -4.587 0.972 1.00 0.00 C ATOM 0 H ILE A 10 -6.246 -3.110 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.964 -2.085 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.535 -3.223 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.667 -4.046 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.599 -5.012 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.264 -2.920 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.625 -1.370 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.558 -1.875 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.232 -5.496 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.778 -4.762 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.862 -3.781 1.704 1.00 0.00 H new ATOM 177 N ILE A 11 -5.181 -0.095 -2.426 1.00 0.00 N ATOM 178 CA ILE A 11 -4.735 1.280 -2.575 1.00 0.00 C ATOM 179 C ILE A 11 -5.856 2.225 -2.137 1.00 0.00 C ATOM 180 O ILE A 11 -5.686 3.002 -1.198 1.00 0.00 O ATOM 181 CB ILE A 11 -4.241 1.531 -4.001 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.965 0.736 -4.287 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.053 3.027 -4.261 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.719 1.562 -3.961 1.00 0.00 C ATOM 0 H ILE A 11 -4.990 -0.695 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.881 1.476 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.004 1.177 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.963 -0.180 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.945 0.439 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.701 3.178 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.004 3.542 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.320 3.428 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.826 0.973 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.712 2.465 -4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.730 1.836 -2.906 1.00 0.00 H new ATOM 196 N GLY A 12 -6.976 2.129 -2.838 1.00 0.00 N ATOM 197 CA GLY A 12 -8.124 2.965 -2.534 1.00 0.00 C ATOM 198 C GLY A 12 -8.418 2.967 -1.032 1.00 0.00 C ATOM 199 O GLY A 12 -8.832 3.985 -0.478 1.00 0.00 O ATOM 0 H GLY A 12 -7.113 1.484 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.936 3.984 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.996 2.603 -3.079 1.00 0.00 H new ATOM 203 N GLN A 13 -8.194 1.816 -0.416 1.00 0.00 N ATOM 204 CA GLN A 13 -8.430 1.672 1.010 1.00 0.00 C ATOM 205 C GLN A 13 -7.376 2.447 1.804 1.00 0.00 C ATOM 206 O GLN A 13 -7.688 3.058 2.825 1.00 0.00 O ATOM 207 CB GLN A 13 -8.446 0.197 1.417 1.00 0.00 C ATOM 208 CG GLN A 13 -9.865 -0.261 1.761 1.00 0.00 C ATOM 209 CD GLN A 13 -10.785 -0.159 0.542 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.607 0.735 0.425 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.601 -1.122 -0.357 1.00 0.00 N ATOM 0 H GLN A 13 -7.851 0.974 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.410 2.090 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.050 -0.412 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.793 0.046 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.842 -1.290 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.261 0.350 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.895 -1.841 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.166 -1.142 -1.206 1.00 0.00 H new ATOM 220 N GLN A 14 -6.150 2.398 1.304 1.00 0.00 N ATOM 221 CA GLN A 14 -5.049 3.088 1.953 1.00 0.00 C ATOM 222 C GLN A 14 -5.408 4.557 2.188 1.00 0.00 C ATOM 223 O GLN A 14 -4.910 5.179 3.125 1.00 0.00 O ATOM 224 CB GLN A 14 -3.763 2.963 1.133 1.00 0.00 C ATOM 225 CG GLN A 14 -3.541 4.206 0.269 1.00 0.00 C ATOM 226 CD GLN A 14 -2.530 3.925 -0.845 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.204 2.790 -1.151 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.053 5.020 -1.431 1.00 0.00 N ATOM 0 H GLN A 14 -5.895 1.891 0.457 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.871 2.618 2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.913 2.824 1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.817 2.079 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.488 4.525 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.184 5.027 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.369 5.941 -1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.372 4.939 -2.186 1.00 0.00 H new ATOM 237 N LEU A 15 -6.270 5.068 1.322 1.00 0.00 N ATOM 238 CA LEU A 15 -6.702 6.452 1.424 1.00 0.00 C ATOM 239 C LEU A 15 -8.201 6.493 1.726 1.00 0.00 C ATOM 240 O LEU A 15 -8.610 6.353 2.878 1.00 0.00 O ATOM 241 CB LEU A 15 -6.306 7.230 0.168 1.00 0.00 C ATOM 242 CG LEU A 15 -6.544 6.518 -1.165 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.356 7.397 -2.119 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.222 6.065 -1.788 1.00 0.00 C ATOM 0 H LEU A 15 -6.681 4.549 0.546 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.196 6.949 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.857 8.170 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.248 7.481 0.239 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.134 5.621 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.511 6.867 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.322 7.627 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.815 8.324 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.419 5.562 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.586 6.933 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.717 5.377 -1.110 1.00 0.00 H new ATOM 256 N GLY A 16 -8.980 6.685 0.671 1.00 0.00 N ATOM 257 CA GLY A 16 -10.425 6.747 0.809 1.00 0.00 C ATOM 258 C GLY A 16 -11.117 6.388 -0.508 1.00 0.00 C ATOM 259 O GLY A 16 -12.277 6.738 -0.719 1.00 0.00 O ATOM 0 H GLY A 16 -8.637 6.800 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.749 6.062 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.722 7.749 1.119 1.00 0.00 H new ATOM 263 N VAL A 17 -10.376 5.694 -1.359 1.00 0.00 N ATOM 264 CA VAL A 17 -10.904 5.284 -2.649 1.00 0.00 C ATOM 265 C VAL A 17 -11.369 6.521 -3.421 1.00 0.00 C ATOM 266 O VAL A 17 -12.297 7.208 -2.998 1.00 0.00 O ATOM 267 CB VAL A 17 -12.012 4.248 -2.456 1.00 0.00 C ATOM 268 CG1 VAL A 17 -11.973 3.660 -1.043 1.00 0.00 C ATOM 269 CG2 VAL A 17 -13.385 4.850 -2.761 1.00 0.00 C ATOM 0 H VAL A 17 -9.414 5.405 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.128 4.802 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.838 3.436 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.771 2.926 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.010 3.177 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.110 4.458 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.155 4.092 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.571 5.689 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.408 5.198 -3.794 1.00 0.00 H new ATOM 279 N LYS A 18 -10.703 6.766 -4.540 1.00 0.00 N ATOM 280 CA LYS A 18 -11.037 7.907 -5.375 1.00 0.00 C ATOM 281 C LYS A 18 -11.050 7.474 -6.842 1.00 0.00 C ATOM 282 O LYS A 18 -11.288 6.306 -7.146 1.00 0.00 O ATOM 283 CB LYS A 18 -10.092 9.076 -5.087 1.00 0.00 C ATOM 284 CG LYS A 18 -10.876 10.356 -4.795 1.00 0.00 C ATOM 285 CD LYS A 18 -10.923 11.264 -6.026 1.00 0.00 C ATOM 286 CE LYS A 18 -11.176 12.718 -5.625 1.00 0.00 C ATOM 287 NZ LYS A 18 -11.511 13.533 -6.814 1.00 0.00 N ATOM 0 H LYS A 18 -9.934 6.194 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.038 8.270 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.456 8.833 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.434 9.235 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.890 10.103 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.414 10.888 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.982 11.192 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.710 10.927 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.991 12.766 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.292 13.125 -5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.285 14.531 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.958 13.201 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.526 13.441 -7.023 1.00 0.00 H new ATOM 300 N GLN A 19 -10.792 8.438 -7.713 1.00 0.00 N ATOM 301 CA GLN A 19 -10.772 8.171 -9.141 1.00 0.00 C ATOM 302 C GLN A 19 -9.393 8.492 -9.722 1.00 0.00 C ATOM 303 O GLN A 19 -8.860 7.727 -10.524 1.00 0.00 O ATOM 304 CB GLN A 19 -11.867 8.959 -9.862 1.00 0.00 C ATOM 305 CG GLN A 19 -13.025 8.044 -10.267 1.00 0.00 C ATOM 306 CD GLN A 19 -12.560 6.981 -11.265 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.490 7.062 -11.845 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.422 5.982 -11.431 1.00 0.00 N ATOM 0 H GLN A 19 -10.595 9.406 -7.457 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.972 7.111 -9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.236 9.753 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.451 9.439 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.438 7.561 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.825 8.638 -10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.301 5.976 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.204 5.222 -12.076 1.00 0.00 H new ATOM 317 N GLU A 20 -8.855 9.625 -9.294 1.00 0.00 N ATOM 318 CA GLU A 20 -7.549 10.056 -9.761 1.00 0.00 C ATOM 319 C GLU A 20 -6.458 9.582 -8.799 1.00 0.00 C ATOM 320 O GLU A 20 -5.278 9.862 -9.006 1.00 0.00 O ATOM 321 CB GLU A 20 -7.504 11.576 -9.936 1.00 0.00 C ATOM 322 CG GLU A 20 -7.656 12.287 -8.590 1.00 0.00 C ATOM 323 CD GLU A 20 -8.589 13.494 -8.710 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.724 13.355 -9.190 1.00 0.00 O ATOM 325 OE2 GLU A 20 -8.097 14.608 -8.283 1.00 0.00 O ATOM 0 H GLU A 20 -9.300 10.257 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.366 9.605 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.561 11.865 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.300 11.892 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.049 11.591 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.678 12.612 -8.234 1.00 0.00 H new ATOM 333 N GLU A 21 -6.891 8.873 -7.767 1.00 0.00 N ATOM 334 CA GLU A 21 -5.965 8.358 -6.772 1.00 0.00 C ATOM 335 C GLU A 21 -5.713 6.867 -7.004 1.00 0.00 C ATOM 336 O GLU A 21 -4.798 6.290 -6.418 1.00 0.00 O ATOM 337 CB GLU A 21 -6.485 8.612 -5.356 1.00 0.00 C ATOM 338 CG GLU A 21 -6.025 9.977 -4.839 1.00 0.00 C ATOM 339 CD GLU A 21 -7.083 10.605 -3.931 1.00 0.00 C ATOM 340 OE1 GLU A 21 -7.458 10.009 -2.911 1.00 0.00 O ATOM 341 OE2 GLU A 21 -7.519 11.756 -4.318 1.00 0.00 O ATOM 0 H GLU A 21 -7.870 8.643 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.018 8.888 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.574 8.565 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.129 7.828 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.090 9.866 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.824 10.640 -5.681 1.00 0.00 H new ATOM 349 N VAL A 22 -6.541 6.285 -7.860 1.00 0.00 N ATOM 350 CA VAL A 22 -6.419 4.872 -8.176 1.00 0.00 C ATOM 351 C VAL A 22 -6.232 4.707 -9.686 1.00 0.00 C ATOM 352 O VAL A 22 -6.732 3.750 -10.275 1.00 0.00 O ATOM 353 CB VAL A 22 -7.630 4.109 -7.637 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.444 2.599 -7.801 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.900 4.472 -6.175 1.00 0.00 C ATOM 0 H VAL A 22 -7.299 6.767 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.541 4.446 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.500 4.405 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.319 2.080 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.322 2.360 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.558 2.280 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.766 3.916 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.029 4.218 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.097 5.541 -6.096 1.00 0.00 H new ATOM 365 N THR A 23 -5.510 5.653 -10.268 1.00 0.00 N ATOM 366 CA THR A 23 -5.251 5.624 -11.697 1.00 0.00 C ATOM 367 C THR A 23 -4.189 4.573 -12.025 1.00 0.00 C ATOM 368 O THR A 23 -4.253 3.446 -11.536 1.00 0.00 O ATOM 369 CB THR A 23 -4.863 7.038 -12.136 1.00 0.00 C ATOM 370 OG1 THR A 23 -3.746 7.363 -11.313 1.00 0.00 O ATOM 371 CG2 THR A 23 -5.919 8.078 -11.760 1.00 0.00 C ATOM 0 H THR A 23 -5.096 6.445 -9.776 1.00 0.00 H new ATOM 0 HA THR A 23 -6.140 5.327 -12.254 1.00 0.00 H new ATOM 0 HB THR A 23 -4.707 7.053 -13.215 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.077 7.842 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.594 9.063 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.865 7.826 -12.239 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.052 8.087 -10.678 1.00 0.00 H new ATOM 379 N ASN A 24 -3.236 4.979 -12.851 1.00 0.00 N ATOM 380 CA ASN A 24 -2.161 4.086 -13.250 1.00 0.00 C ATOM 381 C ASN A 24 -0.871 4.891 -13.417 1.00 0.00 C ATOM 382 O ASN A 24 -0.001 4.520 -14.204 1.00 0.00 O ATOM 383 CB ASN A 24 -2.473 3.411 -14.587 1.00 0.00 C ATOM 384 CG ASN A 24 -3.313 4.326 -15.481 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.904 5.411 -15.860 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.506 3.830 -15.794 1.00 0.00 N ATOM 0 H ASN A 24 -3.186 5.914 -13.255 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.052 3.324 -12.478 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.543 3.155 -15.095 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.008 2.478 -14.411 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.142 4.365 -16.386 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.786 2.914 -15.443 1.00 0.00 H new ATOM 393 N ASN A 25 -0.787 5.978 -12.665 1.00 0.00 N ATOM 394 CA ASN A 25 0.382 6.839 -12.720 1.00 0.00 C ATOM 395 C ASN A 25 0.106 8.119 -11.929 1.00 0.00 C ATOM 396 O ASN A 25 0.468 9.212 -12.363 1.00 0.00 O ATOM 397 CB ASN A 25 0.708 7.235 -14.161 1.00 0.00 C ATOM 398 CG ASN A 25 2.201 7.074 -14.450 1.00 0.00 C ATOM 399 OD1 ASN A 25 3.043 7.163 -13.572 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.482 6.833 -15.728 1.00 0.00 N ATOM 0 H ASN A 25 -1.510 6.283 -12.013 1.00 0.00 H new ATOM 0 HA ASN A 25 1.224 6.290 -12.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.132 6.618 -14.851 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.410 8.269 -14.334 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.451 6.711 -16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.729 6.771 -16.413 1.00 0.00 H new ATOM 407 N ALA A 26 -0.533 7.942 -10.782 1.00 0.00 N ATOM 408 CA ALA A 26 -0.862 9.069 -9.926 1.00 0.00 C ATOM 409 C ALA A 26 0.278 9.301 -8.933 1.00 0.00 C ATOM 410 O ALA A 26 1.132 8.434 -8.751 1.00 0.00 O ATOM 411 CB ALA A 26 -2.199 8.808 -9.228 1.00 0.00 C ATOM 0 H ALA A 26 -0.832 7.034 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.974 9.978 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.445 9.654 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.981 8.680 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.124 7.904 -8.624 1.00 0.00 H new ATOM 417 N SER A 27 0.256 10.474 -8.318 1.00 0.00 N ATOM 418 CA SER A 27 1.278 10.830 -7.348 1.00 0.00 C ATOM 419 C SER A 27 0.744 10.630 -5.928 1.00 0.00 C ATOM 420 O SER A 27 -0.373 10.149 -5.743 1.00 0.00 O ATOM 421 CB SER A 27 1.741 12.275 -7.542 1.00 0.00 C ATOM 422 OG SER A 27 3.036 12.346 -8.134 1.00 0.00 O ATOM 0 H SER A 27 -0.453 11.190 -8.472 1.00 0.00 H new ATOM 0 HA SER A 27 2.138 10.178 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.025 12.804 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.755 12.784 -6.578 1.00 0.00 H new ATOM 0 HG SER A 27 3.295 13.285 -8.243 1.00 0.00 H new ATOM 428 N PHE A 28 1.568 11.009 -4.962 1.00 0.00 N ATOM 429 CA PHE A 28 1.193 10.877 -3.565 1.00 0.00 C ATOM 430 C PHE A 28 1.352 12.207 -2.826 1.00 0.00 C ATOM 431 O PHE A 28 0.383 12.746 -2.294 1.00 0.00 O ATOM 432 CB PHE A 28 2.137 9.846 -2.943 1.00 0.00 C ATOM 433 CG PHE A 28 1.615 8.409 -3.002 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.239 7.870 -4.193 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.528 7.670 -1.864 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.755 6.537 -4.247 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.044 6.336 -1.918 1.00 0.00 C ATOM 438 CZ PHE A 28 0.667 5.798 -3.109 1.00 0.00 C ATOM 0 H PHE A 28 2.494 11.407 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 28 0.149 10.572 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.098 9.894 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.316 10.114 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.309 8.456 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.827 8.098 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.456 6.109 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.975 5.749 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.298 4.784 -3.151 1.00 0.00 H new ATOM 448 N VAL A 29 2.582 12.699 -2.818 1.00 0.00 N ATOM 449 CA VAL A 29 2.881 13.957 -2.154 1.00 0.00 C ATOM 450 C VAL A 29 2.192 15.100 -2.902 1.00 0.00 C ATOM 451 O VAL A 29 2.022 16.189 -2.357 1.00 0.00 O ATOM 452 CB VAL A 29 4.396 14.143 -2.043 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.736 15.410 -1.256 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.055 12.913 -1.414 1.00 0.00 C ATOM 0 H VAL A 29 3.383 12.249 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 29 2.492 13.953 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 29 4.794 14.258 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.819 15.519 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.314 16.278 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.318 15.338 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.131 13.071 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.649 12.753 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.855 12.037 -2.031 1.00 0.00 H new ATOM 464 N GLU A 30 1.814 14.812 -4.139 1.00 0.00 N ATOM 465 CA GLU A 30 1.147 15.803 -4.967 1.00 0.00 C ATOM 466 C GLU A 30 -0.329 15.441 -5.143 1.00 0.00 C ATOM 467 O GLU A 30 -1.175 16.322 -5.285 1.00 0.00 O ATOM 468 CB GLU A 30 1.843 15.943 -6.322 1.00 0.00 C ATOM 469 CG GLU A 30 2.781 17.151 -6.335 1.00 0.00 C ATOM 470 CD GLU A 30 2.258 18.242 -7.272 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.078 18.613 -7.193 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.127 18.708 -8.104 1.00 0.00 O ATOM 0 H GLU A 30 1.957 13.907 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 30 1.206 16.768 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.408 15.037 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.096 16.050 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.879 17.550 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.776 16.840 -6.653 1.00 0.00 H new ATOM 480 N ASP A 31 -0.593 14.142 -5.127 1.00 0.00 N ATOM 481 CA ASP A 31 -1.952 13.653 -5.283 1.00 0.00 C ATOM 482 C ASP A 31 -2.627 13.589 -3.911 1.00 0.00 C ATOM 483 O ASP A 31 -3.566 14.337 -3.643 1.00 0.00 O ATOM 484 CB ASP A 31 -1.965 12.245 -5.882 1.00 0.00 C ATOM 485 CG ASP A 31 -3.169 11.932 -6.772 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.280 12.433 -6.542 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.929 11.126 -7.750 1.00 0.00 O ATOM 0 H ASP A 31 0.111 13.414 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.481 14.334 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.055 12.106 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.935 11.520 -5.069 1.00 0.00 H new ATOM 493 N LEU A 32 -2.122 12.689 -3.080 1.00 0.00 N ATOM 494 CA LEU A 32 -2.665 12.519 -1.743 1.00 0.00 C ATOM 495 C LEU A 32 -1.808 13.301 -0.746 1.00 0.00 C ATOM 496 O LEU A 32 -1.725 12.937 0.426 1.00 0.00 O ATOM 497 CB LEU A 32 -2.799 11.032 -1.405 1.00 0.00 C ATOM 498 CG LEU A 32 -4.107 10.363 -1.832 1.00 0.00 C ATOM 499 CD1 LEU A 32 -3.844 8.988 -2.449 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.091 10.288 -0.663 1.00 0.00 C ATOM 0 H LEU A 32 -1.343 12.070 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.674 12.928 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.971 10.498 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.688 10.913 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.570 10.979 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.790 8.534 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.206 9.099 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.348 8.350 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.012 9.808 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.650 9.707 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.313 11.295 -0.309 1.00 0.00 H new ATOM 512 N GLY A 33 -1.192 14.361 -1.247 1.00 0.00 N ATOM 513 CA GLY A 33 -0.345 15.198 -0.415 1.00 0.00 C ATOM 514 C GLY A 33 0.453 14.353 0.580 1.00 0.00 C ATOM 515 O GLY A 33 0.781 14.817 1.671 1.00 0.00 O ATOM 0 H GLY A 33 -1.263 14.660 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.339 15.768 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.958 15.919 0.125 1.00 0.00 H new ATOM 519 N ALA A 34 0.741 13.127 0.169 1.00 0.00 N ATOM 520 CA ALA A 34 1.493 12.212 1.010 1.00 0.00 C ATOM 521 C ALA A 34 0.956 12.284 2.441 1.00 0.00 C ATOM 522 O ALA A 34 1.413 13.101 3.239 1.00 0.00 O ATOM 523 CB ALA A 34 2.983 12.552 0.929 1.00 0.00 C ATOM 0 H ALA A 34 0.467 12.746 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 34 1.373 11.185 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.548 11.866 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.322 12.459 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.142 13.574 1.272 1.00 0.00 H new ATOM 529 N ASP A 35 -0.005 11.417 2.722 1.00 0.00 N ATOM 530 CA ASP A 35 -0.609 11.372 4.043 1.00 0.00 C ATOM 531 C ASP A 35 0.048 10.259 4.862 1.00 0.00 C ATOM 532 O ASP A 35 0.675 9.360 4.304 1.00 0.00 O ATOM 533 CB ASP A 35 -2.107 11.071 3.954 1.00 0.00 C ATOM 534 CG ASP A 35 -2.666 10.224 5.099 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.623 10.626 6.271 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.167 9.090 4.743 1.00 0.00 O ATOM 0 H ASP A 35 -0.381 10.740 2.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.463 12.344 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.651 12.015 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.304 10.558 3.013 1.00 0.00 H new ATOM 542 N SER A 36 -0.117 10.357 6.173 1.00 0.00 N ATOM 543 CA SER A 36 0.453 9.370 7.075 1.00 0.00 C ATOM 544 C SER A 36 -0.207 8.009 6.846 1.00 0.00 C ATOM 545 O SER A 36 0.463 7.043 6.484 1.00 0.00 O ATOM 546 CB SER A 36 0.292 9.799 8.534 1.00 0.00 C ATOM 547 OG SER A 36 1.541 10.134 9.133 1.00 0.00 O ATOM 0 H SER A 36 -0.637 11.105 6.632 1.00 0.00 H new ATOM 0 HA SER A 36 1.519 9.290 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.378 10.657 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.177 8.993 9.099 1.00 0.00 H new ATOM 0 HG SER A 36 1.395 10.404 10.064 1.00 0.00 H new ATOM 553 N LEU A 37 -1.514 7.976 7.066 1.00 0.00 N ATOM 554 CA LEU A 37 -2.272 6.750 6.888 1.00 0.00 C ATOM 555 C LEU A 37 -1.947 6.148 5.520 1.00 0.00 C ATOM 556 O LEU A 37 -1.945 4.929 5.358 1.00 0.00 O ATOM 557 CB LEU A 37 -3.764 7.005 7.109 1.00 0.00 C ATOM 558 CG LEU A 37 -4.146 7.630 8.453 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.531 8.275 8.384 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.048 6.603 9.582 1.00 0.00 C ATOM 0 H LEU A 37 -2.067 8.779 7.366 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.984 6.013 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.123 7.657 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.293 6.057 7.008 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.432 8.423 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.778 8.711 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.531 9.056 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.272 7.518 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.325 7.073 10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.724 5.773 9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.026 6.231 9.648 1.00 0.00 H new ATOM 572 N ASP A 38 -1.680 7.031 4.569 1.00 0.00 N ATOM 573 CA ASP A 38 -1.355 6.603 3.219 1.00 0.00 C ATOM 574 C ASP A 38 0.038 5.969 3.212 1.00 0.00 C ATOM 575 O ASP A 38 0.202 4.829 2.780 1.00 0.00 O ATOM 576 CB ASP A 38 -1.339 7.789 2.253 1.00 0.00 C ATOM 577 CG ASP A 38 -2.649 8.027 1.499 1.00 0.00 C ATOM 578 OD1 ASP A 38 -3.633 8.521 2.069 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.634 7.677 0.258 1.00 0.00 O ATOM 0 H ASP A 38 -1.682 8.042 4.707 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.114 5.889 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.091 8.691 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.542 7.635 1.526 1.00 0.00 H new ATOM 585 N THR A 39 1.005 6.735 3.695 1.00 0.00 N ATOM 586 CA THR A 39 2.378 6.262 3.749 1.00 0.00 C ATOM 587 C THR A 39 2.494 5.072 4.703 1.00 0.00 C ATOM 588 O THR A 39 3.444 4.295 4.618 1.00 0.00 O ATOM 589 CB THR A 39 3.269 7.443 4.139 1.00 0.00 C ATOM 590 OG1 THR A 39 3.264 8.278 2.985 1.00 0.00 O ATOM 591 CG2 THR A 39 4.736 7.040 4.302 1.00 0.00 C ATOM 0 H THR A 39 0.865 7.680 4.053 1.00 0.00 H new ATOM 0 HA THR A 39 2.709 5.893 2.778 1.00 0.00 H new ATOM 0 HB THR A 39 2.907 7.879 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.474 8.858 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.325 7.914 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.821 6.283 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.109 6.635 3.361 1.00 0.00 H new ATOM 599 N VAL A 40 1.514 4.966 5.588 1.00 0.00 N ATOM 600 CA VAL A 40 1.495 3.883 6.557 1.00 0.00 C ATOM 601 C VAL A 40 0.750 2.686 5.962 1.00 0.00 C ATOM 602 O VAL A 40 1.209 1.549 6.070 1.00 0.00 O ATOM 603 CB VAL A 40 0.888 4.370 7.874 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.668 3.204 8.841 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.760 5.454 8.512 1.00 0.00 C ATOM 0 H VAL A 40 0.727 5.612 5.655 1.00 0.00 H new ATOM 0 HA VAL A 40 2.509 3.555 6.784 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.085 4.809 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.236 3.578 9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.011 2.480 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.622 2.722 9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.306 5.783 9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.753 5.051 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.843 6.301 7.831 1.00 0.00 H new ATOM 615 N GLU A 41 -0.385 2.981 5.347 1.00 0.00 N ATOM 616 CA GLU A 41 -1.197 1.944 4.735 1.00 0.00 C ATOM 617 C GLU A 41 -0.438 1.287 3.580 1.00 0.00 C ATOM 618 O GLU A 41 -0.739 0.158 3.197 1.00 0.00 O ATOM 619 CB GLU A 41 -2.539 2.506 4.261 1.00 0.00 C ATOM 620 CG GLU A 41 -3.511 2.665 5.431 1.00 0.00 C ATOM 621 CD GLU A 41 -4.793 1.865 5.192 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.788 0.906 4.406 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.821 2.270 5.858 1.00 0.00 O ATOM 0 H GLU A 41 -0.762 3.925 5.259 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.405 1.182 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.383 3.471 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.971 1.842 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.035 2.329 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.755 3.719 5.565 1.00 0.00 H new ATOM 631 N LEU A 42 0.531 2.024 3.057 1.00 0.00 N ATOM 632 CA LEU A 42 1.335 1.527 1.954 1.00 0.00 C ATOM 633 C LEU A 42 2.331 0.492 2.479 1.00 0.00 C ATOM 634 O LEU A 42 2.676 -0.456 1.775 1.00 0.00 O ATOM 635 CB LEU A 42 1.993 2.689 1.206 1.00 0.00 C ATOM 636 CG LEU A 42 2.465 2.388 -0.218 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.406 3.642 -1.092 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.860 1.759 -0.212 1.00 0.00 C ATOM 0 H LEU A 42 0.777 2.961 3.377 1.00 0.00 H new ATOM 0 HA LEU A 42 0.706 1.021 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.285 3.517 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.850 3.031 1.787 1.00 0.00 H new ATOM 0 HG LEU A 42 1.784 1.658 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.747 3.400 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.380 4.008 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.049 4.413 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.172 1.555 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.567 2.446 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.836 0.827 0.352 1.00 0.00 H new ATOM 650 N VAL A 43 2.765 0.707 3.713 1.00 0.00 N ATOM 651 CA VAL A 43 3.714 -0.196 4.341 1.00 0.00 C ATOM 652 C VAL A 43 2.975 -1.439 4.841 1.00 0.00 C ATOM 653 O VAL A 43 3.570 -2.506 4.978 1.00 0.00 O ATOM 654 CB VAL A 43 4.475 0.533 5.450 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.457 -0.408 6.151 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.194 1.767 4.901 1.00 0.00 C ATOM 0 H VAL A 43 2.476 1.494 4.294 1.00 0.00 H new ATOM 0 HA VAL A 43 4.459 -0.529 3.619 1.00 0.00 H new ATOM 0 HB VAL A 43 3.749 0.870 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.985 0.135 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.910 -1.241 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.176 -0.789 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.727 2.267 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.904 1.462 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.464 2.452 4.470 1.00 0.00 H new ATOM 666 N MET A 44 1.687 -1.259 5.099 1.00 0.00 N ATOM 667 CA MET A 44 0.861 -2.352 5.580 1.00 0.00 C ATOM 668 C MET A 44 0.202 -3.095 4.416 1.00 0.00 C ATOM 669 O MET A 44 0.116 -4.322 4.427 1.00 0.00 O ATOM 670 CB MET A 44 -0.220 -1.803 6.513 1.00 0.00 C ATOM 671 CG MET A 44 0.401 -1.170 7.760 1.00 0.00 C ATOM 672 SD MET A 44 -0.283 -1.918 9.229 1.00 0.00 S ATOM 673 CE MET A 44 0.727 -3.386 9.328 1.00 0.00 C ATOM 0 H MET A 44 1.196 -0.372 4.984 1.00 0.00 H new ATOM 0 HA MET A 44 1.498 -3.053 6.120 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.819 -1.061 5.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.895 -2.607 6.807 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.483 -1.302 7.745 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.211 -0.097 7.766 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.431 -3.974 10.197 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.593 -3.981 8.425 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.775 -3.101 9.423 1.00 0.00 H new ATOM 683 N ALA A 45 -0.247 -2.320 3.440 1.00 0.00 N ATOM 684 CA ALA A 45 -0.896 -2.890 2.271 1.00 0.00 C ATOM 685 C ALA A 45 0.027 -3.933 1.638 1.00 0.00 C ATOM 686 O ALA A 45 -0.397 -5.053 1.357 1.00 0.00 O ATOM 687 CB ALA A 45 -1.265 -1.770 1.296 1.00 0.00 C ATOM 0 H ALA A 45 -0.174 -1.303 3.434 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.820 -3.395 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.752 -2.197 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.945 -1.072 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.362 -1.243 0.989 1.00 0.00 H new ATOM 693 N LEU A 46 1.272 -3.529 1.433 1.00 0.00 N ATOM 694 CA LEU A 46 2.258 -4.415 0.839 1.00 0.00 C ATOM 695 C LEU A 46 2.550 -5.566 1.803 1.00 0.00 C ATOM 696 O LEU A 46 2.833 -6.684 1.374 1.00 0.00 O ATOM 697 CB LEU A 46 3.504 -3.629 0.425 1.00 0.00 C ATOM 698 CG LEU A 46 3.351 -2.725 -0.800 1.00 0.00 C ATOM 699 CD1 LEU A 46 3.969 -1.349 -0.546 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.929 -3.392 -2.049 1.00 0.00 C ATOM 0 H LEU A 46 1.620 -2.600 1.668 1.00 0.00 H new ATOM 0 HA LEU A 46 1.869 -4.858 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.818 -3.014 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.309 -4.338 0.230 1.00 0.00 H new ATOM 0 HG LEU A 46 2.287 -2.571 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.847 -0.726 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.471 -0.877 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.030 -1.462 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.807 -2.728 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.989 -3.596 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.403 -4.328 -2.238 1.00 0.00 H new ATOM 712 N GLU A 47 2.470 -5.254 3.088 1.00 0.00 N ATOM 713 CA GLU A 47 2.722 -6.249 4.117 1.00 0.00 C ATOM 714 C GLU A 47 1.618 -7.308 4.112 1.00 0.00 C ATOM 715 O GLU A 47 1.900 -8.503 4.031 1.00 0.00 O ATOM 716 CB GLU A 47 2.847 -5.594 5.494 1.00 0.00 C ATOM 717 CG GLU A 47 4.152 -6.004 6.179 1.00 0.00 C ATOM 718 CD GLU A 47 3.874 -6.793 7.461 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.443 -7.953 7.393 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.123 -6.158 8.556 1.00 0.00 O ATOM 0 H GLU A 47 2.234 -4.326 3.440 1.00 0.00 H new ATOM 0 HA GLU A 47 3.670 -6.739 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.812 -4.510 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.999 -5.882 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.750 -6.609 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.738 -5.116 6.414 1.00 0.00 H new ATOM 728 N GLU A 48 0.385 -6.832 4.200 1.00 0.00 N ATOM 729 CA GLU A 48 -0.763 -7.724 4.207 1.00 0.00 C ATOM 730 C GLU A 48 -0.844 -8.495 2.888 1.00 0.00 C ATOM 731 O GLU A 48 -1.596 -9.461 2.775 1.00 0.00 O ATOM 732 CB GLU A 48 -2.056 -6.951 4.471 1.00 0.00 C ATOM 733 CG GLU A 48 -3.014 -7.766 5.342 1.00 0.00 C ATOM 734 CD GLU A 48 -4.393 -7.875 4.687 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.506 -7.761 3.458 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.369 -8.087 5.504 1.00 0.00 O ATOM 0 H GLU A 48 0.155 -5.840 4.267 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.636 -8.442 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.825 -6.007 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.538 -6.707 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.605 -8.763 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.109 -7.297 6.321 1.00 0.00 H new ATOM 744 N GLU A 49 -0.059 -8.038 1.923 1.00 0.00 N ATOM 745 CA GLU A 49 -0.033 -8.672 0.616 1.00 0.00 C ATOM 746 C GLU A 49 0.998 -9.803 0.595 1.00 0.00 C ATOM 747 O GLU A 49 0.636 -10.978 0.597 1.00 0.00 O ATOM 748 CB GLU A 49 0.254 -7.649 -0.485 1.00 0.00 C ATOM 749 CG GLU A 49 -0.610 -7.914 -1.719 1.00 0.00 C ATOM 750 CD GLU A 49 0.150 -7.578 -3.003 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.225 -8.143 -3.253 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.414 -6.695 -3.756 1.00 0.00 O ATOM 0 H GLU A 49 0.564 -7.236 2.020 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.017 -9.099 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.061 -6.643 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.308 -7.691 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.915 -8.960 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.521 -7.318 -1.665 1.00 0.00 H new ATOM 760 N PHE A 50 2.263 -9.407 0.576 1.00 0.00 N ATOM 761 CA PHE A 50 3.348 -10.373 0.555 1.00 0.00 C ATOM 762 C PHE A 50 4.282 -10.173 1.750 1.00 0.00 C ATOM 763 O PHE A 50 5.446 -10.570 1.706 1.00 0.00 O ATOM 764 CB PHE A 50 4.134 -10.134 -0.736 1.00 0.00 C ATOM 765 CG PHE A 50 3.846 -11.157 -1.837 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.541 -12.325 -1.879 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.894 -10.897 -2.774 1.00 0.00 C ATOM 768 CE1 PHE A 50 4.273 -13.274 -2.901 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.627 -11.847 -3.796 1.00 0.00 C ATOM 770 CZ PHE A 50 3.322 -13.015 -3.838 1.00 0.00 C ATOM 0 H PHE A 50 2.560 -8.431 0.575 1.00 0.00 H new ATOM 0 HA PHE A 50 2.947 -11.385 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.903 -9.137 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.200 -10.150 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.297 -12.531 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.342 -9.969 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.825 -14.202 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.872 -11.641 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.119 -13.737 -4.615 1.00 0.00 H new ATOM 780 N ASP A 51 3.738 -9.559 2.790 1.00 0.00 N ATOM 781 CA ASP A 51 4.508 -9.302 3.995 1.00 0.00 C ATOM 782 C ASP A 51 5.929 -8.887 3.609 1.00 0.00 C ATOM 783 O ASP A 51 6.885 -9.615 3.870 1.00 0.00 O ATOM 784 CB ASP A 51 4.602 -10.556 4.866 1.00 0.00 C ATOM 785 CG ASP A 51 5.619 -10.477 6.007 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.033 -9.382 6.418 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.994 -11.615 6.484 1.00 0.00 O ATOM 0 H ASP A 51 2.773 -9.232 2.823 1.00 0.00 H new ATOM 0 HA ASP A 51 4.006 -8.512 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.619 -10.760 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.857 -11.403 4.230 1.00 0.00 H new ATOM 793 N THR A 52 6.023 -7.717 2.993 1.00 0.00 N ATOM 794 CA THR A 52 7.311 -7.197 2.567 1.00 0.00 C ATOM 795 C THR A 52 7.668 -5.941 3.365 1.00 0.00 C ATOM 796 O THR A 52 8.813 -5.493 3.344 1.00 0.00 O ATOM 797 CB THR A 52 7.250 -6.961 1.057 1.00 0.00 C ATOM 798 OG1 THR A 52 8.508 -6.367 0.747 1.00 0.00 O ATOM 799 CG2 THR A 52 6.227 -5.890 0.672 1.00 0.00 C ATOM 0 H THR A 52 5.228 -7.115 2.779 1.00 0.00 H new ATOM 0 HA THR A 52 8.111 -7.910 2.766 1.00 0.00 H new ATOM 0 HB THR A 52 7.003 -7.896 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.871 -5.932 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.224 -5.762 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.235 -6.198 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.492 -4.946 1.148 1.00 0.00 H new ATOM 807 N GLU A 53 6.666 -5.408 4.049 1.00 0.00 N ATOM 808 CA GLU A 53 6.860 -4.213 4.852 1.00 0.00 C ATOM 809 C GLU A 53 7.760 -3.219 4.115 1.00 0.00 C ATOM 810 O GLU A 53 8.965 -3.171 4.356 1.00 0.00 O ATOM 811 CB GLU A 53 7.437 -4.562 6.225 1.00 0.00 C ATOM 812 CG GLU A 53 8.619 -5.524 6.094 1.00 0.00 C ATOM 813 CD GLU A 53 9.227 -5.835 7.463 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.533 -5.739 8.486 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.468 -6.188 7.441 1.00 0.00 O ATOM 0 H GLU A 53 5.717 -5.782 4.063 1.00 0.00 H new ATOM 0 HA GLU A 53 5.889 -3.745 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.759 -3.651 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.663 -5.014 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.289 -6.449 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.378 -5.087 5.446 1.00 0.00 H new ATOM 823 N ILE A 54 7.141 -2.450 3.232 1.00 0.00 N ATOM 824 CA ILE A 54 7.871 -1.461 2.458 1.00 0.00 C ATOM 825 C ILE A 54 8.582 -0.498 3.411 1.00 0.00 C ATOM 826 O ILE A 54 7.980 -0.007 4.366 1.00 0.00 O ATOM 827 CB ILE A 54 6.941 -0.765 1.462 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.108 -1.348 0.057 1.00 0.00 C ATOM 829 CG2 ILE A 54 7.149 0.750 1.483 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.508 -1.064 -0.491 1.00 0.00 C ATOM 0 H ILE A 54 6.141 -2.492 3.035 1.00 0.00 H new ATOM 0 HA ILE A 54 8.641 -1.942 1.856 1.00 0.00 H new ATOM 0 HB ILE A 54 5.912 -0.952 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.935 -2.424 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.359 -0.921 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.476 1.220 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.939 1.132 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.181 0.979 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.601 -1.489 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.669 0.013 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.254 -1.514 0.165 1.00 0.00 H new ATOM 842 N PRO A 55 9.885 -0.250 3.112 1.00 0.00 N ATOM 843 CA PRO A 55 10.684 0.645 3.932 1.00 0.00 C ATOM 844 C PRO A 55 10.311 2.106 3.672 1.00 0.00 C ATOM 845 O PRO A 55 9.301 2.387 3.028 1.00 0.00 O ATOM 846 CB PRO A 55 12.126 0.327 3.571 1.00 0.00 C ATOM 847 CG PRO A 55 12.071 -0.399 2.237 1.00 0.00 C ATOM 848 CD PRO A 55 10.630 -0.814 1.991 1.00 0.00 C ATOM 0 HA PRO A 55 10.514 0.502 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.720 1.238 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.592 -0.295 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.424 0.249 1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.723 -1.273 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.264 -0.429 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.531 -1.899 1.956 1.00 0.00 H new ATOM 856 N ASP A 56 11.145 2.997 4.185 1.00 0.00 N ATOM 857 CA ASP A 56 10.916 4.422 4.017 1.00 0.00 C ATOM 858 C ASP A 56 11.643 4.906 2.761 1.00 0.00 C ATOM 859 O ASP A 56 11.337 5.975 2.235 1.00 0.00 O ATOM 860 CB ASP A 56 11.456 5.212 5.210 1.00 0.00 C ATOM 861 CG ASP A 56 10.458 6.177 5.853 1.00 0.00 C ATOM 862 OD1 ASP A 56 10.524 7.398 5.644 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.571 5.621 6.606 1.00 0.00 O ATOM 0 H ASP A 56 11.982 2.760 4.718 1.00 0.00 H new ATOM 0 HA ASP A 56 9.841 4.583 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.797 4.507 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.329 5.779 4.886 1.00 0.00 H new ATOM 869 N GLU A 57 12.593 4.096 2.316 1.00 0.00 N ATOM 870 CA GLU A 57 13.366 4.429 1.132 1.00 0.00 C ATOM 871 C GLU A 57 12.580 4.074 -0.132 1.00 0.00 C ATOM 872 O GLU A 57 12.304 4.941 -0.959 1.00 0.00 O ATOM 873 CB GLU A 57 14.724 3.725 1.148 1.00 0.00 C ATOM 874 CG GLU A 57 15.833 4.682 1.589 1.00 0.00 C ATOM 875 CD GLU A 57 16.033 4.628 3.105 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.949 3.546 3.704 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.286 5.764 3.662 1.00 0.00 O ATOM 0 H GLU A 57 12.845 3.210 2.754 1.00 0.00 H new ATOM 0 HA GLU A 57 13.550 5.503 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.687 2.870 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.948 3.337 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.764 4.421 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.582 5.699 1.288 1.00 0.00 H new ATOM 885 N GLU A 58 12.242 2.798 -0.241 1.00 0.00 N ATOM 886 CA GLU A 58 11.493 2.318 -1.391 1.00 0.00 C ATOM 887 C GLU A 58 10.171 3.077 -1.517 1.00 0.00 C ATOM 888 O GLU A 58 9.543 3.065 -2.575 1.00 0.00 O ATOM 889 CB GLU A 58 11.252 0.810 -1.297 1.00 0.00 C ATOM 890 CG GLU A 58 12.162 0.049 -2.264 1.00 0.00 C ATOM 891 CD GLU A 58 12.397 -1.385 -1.782 1.00 0.00 C ATOM 892 OE1 GLU A 58 13.545 -1.852 -1.765 1.00 0.00 O ATOM 893 OE2 GLU A 58 11.334 -2.018 -1.417 1.00 0.00 O ATOM 0 H GLU A 58 12.473 2.082 0.447 1.00 0.00 H new ATOM 0 HA GLU A 58 12.083 2.504 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.435 0.472 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.209 0.590 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.712 0.034 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.117 0.567 -2.355 1.00 0.00 H new ATOM 901 N ALA A 59 9.787 3.720 -0.424 1.00 0.00 N ATOM 902 CA ALA A 59 8.551 4.483 -0.400 1.00 0.00 C ATOM 903 C ALA A 59 8.624 5.597 -1.447 1.00 0.00 C ATOM 904 O ALA A 59 7.654 5.845 -2.162 1.00 0.00 O ATOM 905 CB ALA A 59 8.313 5.025 1.011 1.00 0.00 C ATOM 0 H ALA A 59 10.310 3.728 0.451 1.00 0.00 H new ATOM 0 HA ALA A 59 7.703 3.847 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.386 5.598 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.240 4.194 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.143 5.670 1.298 1.00 0.00 H new ATOM 911 N GLU A 60 9.782 6.238 -1.503 1.00 0.00 N ATOM 912 CA GLU A 60 9.993 7.319 -2.450 1.00 0.00 C ATOM 913 C GLU A 60 9.810 6.813 -3.883 1.00 0.00 C ATOM 914 O GLU A 60 9.180 7.478 -4.704 1.00 0.00 O ATOM 915 CB GLU A 60 11.375 7.949 -2.264 1.00 0.00 C ATOM 916 CG GLU A 60 11.291 9.476 -2.301 1.00 0.00 C ATOM 917 CD GLU A 60 12.539 10.109 -1.681 1.00 0.00 C ATOM 918 OE1 GLU A 60 13.665 9.775 -2.077 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.308 10.978 -0.757 1.00 0.00 O ATOM 0 H GLU A 60 10.584 6.029 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 60 9.249 8.092 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.800 7.628 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.047 7.599 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.182 9.813 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.404 9.808 -1.761 1.00 0.00 H new ATOM 927 N LYS A 61 10.371 5.641 -4.139 1.00 0.00 N ATOM 928 CA LYS A 61 10.277 5.038 -5.457 1.00 0.00 C ATOM 929 C LYS A 61 8.881 4.441 -5.642 1.00 0.00 C ATOM 930 O LYS A 61 8.539 3.977 -6.729 1.00 0.00 O ATOM 931 CB LYS A 61 11.409 4.031 -5.668 1.00 0.00 C ATOM 932 CG LYS A 61 12.154 4.308 -6.975 1.00 0.00 C ATOM 933 CD LYS A 61 12.304 3.030 -7.803 1.00 0.00 C ATOM 934 CE LYS A 61 13.547 3.095 -8.692 1.00 0.00 C ATOM 935 NZ LYS A 61 13.380 2.228 -9.880 1.00 0.00 N ATOM 0 H LYS A 61 10.893 5.092 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 61 10.406 5.794 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.105 4.081 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.002 3.020 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.615 5.059 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.139 4.721 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.372 2.168 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.418 2.887 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.723 4.124 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.424 2.781 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.233 2.284 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.234 1.245 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.556 2.546 -10.429 1.00 0.00 H new ATOM 948 N ILE A 62 8.111 4.474 -4.565 1.00 0.00 N ATOM 949 CA ILE A 62 6.759 3.942 -4.595 1.00 0.00 C ATOM 950 C ILE A 62 5.772 5.046 -4.209 1.00 0.00 C ATOM 951 O ILE A 62 4.684 4.764 -3.710 1.00 0.00 O ATOM 952 CB ILE A 62 6.656 2.691 -3.719 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.633 1.611 -4.187 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.216 2.177 -3.665 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.700 0.459 -3.182 1.00 0.00 C ATOM 0 H ILE A 62 8.397 4.861 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 62 6.499 3.620 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 62 6.940 2.962 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.322 1.231 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.625 2.044 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.170 1.288 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.569 2.949 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.881 1.927 -4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.402 -0.295 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.035 0.838 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.712 0.012 -3.074 1.00 0.00 H new ATOM 967 N THR A 63 6.188 6.279 -4.455 1.00 0.00 N ATOM 968 CA THR A 63 5.355 7.427 -4.141 1.00 0.00 C ATOM 969 C THR A 63 4.265 7.602 -5.200 1.00 0.00 C ATOM 970 O THR A 63 3.492 8.557 -5.149 1.00 0.00 O ATOM 971 CB THR A 63 6.266 8.648 -3.999 1.00 0.00 C ATOM 972 OG1 THR A 63 5.376 9.706 -3.651 1.00 0.00 O ATOM 973 CG2 THR A 63 6.866 9.090 -5.335 1.00 0.00 C ATOM 0 H THR A 63 7.092 6.508 -4.868 1.00 0.00 H new ATOM 0 HA THR A 63 4.827 7.286 -3.198 1.00 0.00 H new ATOM 0 HB THR A 63 7.069 8.422 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.884 10.537 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.504 9.960 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.458 8.277 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.064 9.349 -6.026 1.00 0.00 H new ATOM 981 N THR A 64 4.239 6.664 -6.136 1.00 0.00 N ATOM 982 CA THR A 64 3.257 6.702 -7.206 1.00 0.00 C ATOM 983 C THR A 64 2.228 5.584 -7.026 1.00 0.00 C ATOM 984 O THR A 64 2.169 4.954 -5.971 1.00 0.00 O ATOM 985 CB THR A 64 4.006 6.629 -8.538 1.00 0.00 C ATOM 986 OG1 THR A 64 5.079 5.726 -8.284 1.00 0.00 O ATOM 987 CG2 THR A 64 4.702 7.945 -8.891 1.00 0.00 C ATOM 0 H THR A 64 4.882 5.873 -6.175 1.00 0.00 H new ATOM 0 HA THR A 64 2.688 7.631 -7.187 1.00 0.00 H new ATOM 0 HB THR A 64 3.309 6.363 -9.332 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.844 5.959 -8.850 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.218 7.839 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.960 8.740 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.424 8.195 -8.113 1.00 0.00 H new ATOM 995 N VAL A 65 1.442 5.372 -8.072 1.00 0.00 N ATOM 996 CA VAL A 65 0.419 4.341 -8.042 1.00 0.00 C ATOM 997 C VAL A 65 0.914 3.115 -8.812 1.00 0.00 C ATOM 998 O VAL A 65 1.002 2.022 -8.255 1.00 0.00 O ATOM 999 CB VAL A 65 -0.899 4.897 -8.586 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.971 3.807 -8.645 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.376 6.090 -7.755 1.00 0.00 C ATOM 0 H VAL A 65 1.493 5.897 -8.945 1.00 0.00 H new ATOM 0 HA VAL A 65 0.225 4.024 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.720 5.247 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.897 4.229 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.635 3.002 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.145 3.413 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.314 6.466 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.529 5.776 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.625 6.879 -7.787 1.00 0.00 H new ATOM 1011 N GLN A 66 1.223 3.338 -10.081 1.00 0.00 N ATOM 1012 CA GLN A 66 1.707 2.265 -10.933 1.00 0.00 C ATOM 1013 C GLN A 66 2.985 1.660 -10.350 1.00 0.00 C ATOM 1014 O GLN A 66 3.401 0.574 -10.752 1.00 0.00 O ATOM 1015 CB GLN A 66 1.937 2.761 -12.362 1.00 0.00 C ATOM 1016 CG GLN A 66 2.194 1.591 -13.314 1.00 0.00 C ATOM 1017 CD GLN A 66 0.970 1.319 -14.191 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.088 1.903 -14.024 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.172 0.400 -15.131 1.00 0.00 N ATOM 0 H GLN A 66 1.148 4.246 -10.540 1.00 0.00 H new ATOM 0 HA GLN A 66 0.945 1.487 -10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.067 3.325 -12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.787 3.444 -12.381 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.055 1.813 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.440 0.698 -12.740 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.083 -0.051 -15.216 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.416 0.146 -15.767 1.00 0.00 H new ATOM 1028 N ALA A 67 3.573 2.389 -9.413 1.00 0.00 N ATOM 1029 CA ALA A 67 4.796 1.937 -8.771 1.00 0.00 C ATOM 1030 C ALA A 67 4.472 0.784 -7.819 1.00 0.00 C ATOM 1031 O ALA A 67 5.311 -0.082 -7.579 1.00 0.00 O ATOM 1032 CB ALA A 67 5.462 3.114 -8.055 1.00 0.00 C ATOM 0 H ALA A 67 3.225 3.289 -9.083 1.00 0.00 H new ATOM 0 HA ALA A 67 5.503 1.564 -9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.379 2.775 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.699 3.893 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.783 3.513 -7.302 1.00 0.00 H new ATOM 1038 N ALA A 68 3.251 0.811 -7.304 1.00 0.00 N ATOM 1039 CA ALA A 68 2.806 -0.222 -6.383 1.00 0.00 C ATOM 1040 C ALA A 68 2.226 -1.393 -7.180 1.00 0.00 C ATOM 1041 O ALA A 68 1.700 -2.342 -6.600 1.00 0.00 O ATOM 1042 CB ALA A 68 1.794 0.372 -5.401 1.00 0.00 C ATOM 0 H ALA A 68 2.557 1.531 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 68 3.644 -0.603 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.460 -0.402 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.263 1.181 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.938 0.761 -5.952 1.00 0.00 H new ATOM 1048 N ILE A 69 2.343 -1.288 -8.495 1.00 0.00 N ATOM 1049 CA ILE A 69 1.838 -2.327 -9.377 1.00 0.00 C ATOM 1050 C ILE A 69 3.011 -2.991 -10.100 1.00 0.00 C ATOM 1051 O ILE A 69 2.980 -4.191 -10.370 1.00 0.00 O ATOM 1052 CB ILE A 69 0.776 -1.759 -10.320 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.560 -1.577 -9.596 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.636 -2.626 -11.573 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.826 -0.100 -9.300 1.00 0.00 C ATOM 0 H ILE A 69 2.780 -0.499 -8.972 1.00 0.00 H new ATOM 0 HA ILE A 69 1.337 -3.105 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 69 1.102 -0.771 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.367 -1.980 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.553 -2.143 -8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.125 -2.200 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.589 -2.660 -12.100 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.344 -3.636 -11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.781 0.002 -8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.030 0.294 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.857 0.459 -10.235 1.00 0.00 H new ATOM 1067 N ASP A 70 4.019 -2.182 -10.393 1.00 0.00 N ATOM 1068 CA ASP A 70 5.200 -2.677 -11.080 1.00 0.00 C ATOM 1069 C ASP A 70 6.055 -3.483 -10.100 1.00 0.00 C ATOM 1070 O ASP A 70 6.709 -4.449 -10.490 1.00 0.00 O ATOM 1071 CB ASP A 70 6.052 -1.522 -11.611 1.00 0.00 C ATOM 1072 CG ASP A 70 6.673 -1.757 -12.990 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.285 -1.122 -13.981 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.605 -2.648 -13.023 1.00 0.00 O ATOM 0 H ASP A 70 4.042 -1.188 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 70 4.870 -3.296 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.434 -0.625 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.852 -1.323 -10.898 1.00 0.00 H new ATOM 1080 N TYR A 71 6.021 -3.057 -8.846 1.00 0.00 N ATOM 1081 CA TYR A 71 6.784 -3.727 -7.807 1.00 0.00 C ATOM 1082 C TYR A 71 6.088 -5.014 -7.359 1.00 0.00 C ATOM 1083 O TYR A 71 6.747 -5.987 -6.997 1.00 0.00 O ATOM 1084 CB TYR A 71 6.837 -2.753 -6.628 1.00 0.00 C ATOM 1085 CG TYR A 71 8.114 -2.858 -5.791 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.257 -3.881 -4.876 1.00 0.00 C ATOM 1087 CD2 TYR A 71 9.122 -1.930 -5.951 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.459 -3.980 -4.089 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.324 -2.029 -5.164 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.433 -3.049 -4.271 1.00 0.00 C ATOM 1091 OH TYR A 71 11.567 -3.143 -3.528 1.00 0.00 O ATOM 0 H TYR A 71 5.477 -2.256 -8.526 1.00 0.00 H new ATOM 0 HA TYR A 71 7.775 -3.996 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.746 -1.735 -7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.976 -2.932 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.468 -4.607 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.010 -1.129 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.584 -4.776 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.121 -1.309 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 71 11.335 -3.148 -2.576 1.00 0.00 H new ATOM 1101 N ILE A 72 4.764 -4.976 -7.397 1.00 0.00 N ATOM 1102 CA ILE A 72 3.971 -6.127 -6.999 1.00 0.00 C ATOM 1103 C ILE A 72 3.956 -7.148 -8.138 1.00 0.00 C ATOM 1104 O ILE A 72 3.940 -8.354 -7.895 1.00 0.00 O ATOM 1105 CB ILE A 72 2.577 -5.688 -6.548 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.665 -4.633 -5.443 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.733 -6.891 -6.124 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.378 -5.189 -4.209 1.00 0.00 C ATOM 0 H ILE A 72 4.221 -4.167 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 72 4.419 -6.618 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 72 2.074 -5.225 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.200 -3.758 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.663 -4.303 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.747 -6.550 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.628 -7.576 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.222 -7.405 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.427 -4.419 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.828 -6.049 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.388 -5.496 -4.480 1.00 0.00 H new ATOM 1120 N ASN A 73 3.960 -6.628 -9.357 1.00 0.00 N ATOM 1121 CA ASN A 73 3.946 -7.480 -10.534 1.00 0.00 C ATOM 1122 C ASN A 73 5.076 -8.506 -10.429 1.00 0.00 C ATOM 1123 O ASN A 73 4.994 -9.586 -11.011 1.00 0.00 O ATOM 1124 CB ASN A 73 4.167 -6.661 -11.808 1.00 0.00 C ATOM 1125 CG ASN A 73 3.105 -6.988 -12.860 1.00 0.00 C ATOM 1126 OD1 ASN A 73 1.980 -6.291 -12.728 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.295 -7.818 -13.734 1.00 0.00 N flip ATOM 0 H ASN A 73 3.973 -5.627 -9.555 1.00 0.00 H new ATOM 0 HA ASN A 73 2.974 -7.971 -10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.134 -5.597 -11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.159 -6.868 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.183 -8.318 -13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.566 -8.012 -14.420 1.00 0.00 H new ATOM 1134 N GLY A 74 6.105 -8.131 -9.684 1.00 0.00 N ATOM 1135 CA GLY A 74 7.250 -9.005 -9.495 1.00 0.00 C ATOM 1136 C GLY A 74 6.810 -10.392 -9.021 1.00 0.00 C ATOM 1137 O GLY A 74 7.556 -11.361 -9.148 1.00 0.00 O ATOM 0 H GLY A 74 6.170 -7.233 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.802 -9.095 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.930 -8.566 -8.765 1.00 0.00 H new ATOM 1141 N HIS A 75 5.599 -10.442 -8.485 1.00 0.00 N ATOM 1142 CA HIS A 75 5.050 -11.693 -7.992 1.00 0.00 C ATOM 1143 C HIS A 75 5.068 -12.737 -9.110 1.00 0.00 C ATOM 1144 O HIS A 75 5.606 -13.829 -8.936 1.00 0.00 O ATOM 1145 CB HIS A 75 3.654 -11.479 -7.402 1.00 0.00 C ATOM 1146 CG HIS A 75 2.705 -12.629 -7.639 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.079 -13.953 -7.487 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.394 -12.640 -8.016 1.00 0.00 C ATOM 1149 CE1 HIS A 75 2.032 -14.718 -7.764 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.990 -13.902 -8.092 1.00 0.00 N ATOM 0 H HIS A 75 4.983 -9.636 -8.382 1.00 0.00 H new ATOM 0 HA HIS A 75 5.670 -12.071 -7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.746 -11.312 -6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.225 -10.573 -7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.788 -11.769 -8.218 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.009 -15.797 -7.735 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.054 -14.211 -8.353 1.00 0.00 H new ATOM 1158 N GLN A 76 4.472 -12.365 -10.233 1.00 0.00 N ATOM 1159 CA GLN A 76 4.412 -13.256 -11.379 1.00 0.00 C ATOM 1160 C GLN A 76 5.063 -12.598 -12.598 1.00 0.00 C ATOM 1161 O GLN A 76 5.253 -11.383 -12.624 1.00 0.00 O ATOM 1162 CB GLN A 76 2.969 -13.664 -11.682 1.00 0.00 C ATOM 1163 CG GLN A 76 2.003 -12.511 -11.402 1.00 0.00 C ATOM 1164 CD GLN A 76 2.359 -11.281 -12.239 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.592 -10.187 -11.520 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.418 -11.323 -13.457 1.00 0.00 N flip ATOM 0 H GLN A 76 4.026 -11.458 -10.374 1.00 0.00 H new ATOM 0 HA GLN A 76 4.968 -14.162 -11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.885 -13.968 -12.725 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.696 -14.527 -11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.983 -12.824 -11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.033 -12.256 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.227 -12.197 -13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.658 -10.484 -13.985 1.00 0.00 H new