USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 25 ASN : amide:sc= 0.554 K(o=1.7,f=-5.2) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0.197) USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 0.75 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.674 USER MOD Single : A 2 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 154:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.44 USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 1.05 (180deg=-0.229) USER MOD Single : A 31 GLN : amide:sc= 0.782 K(o=0.78,f=-0.05) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0061) USER MOD Single : A 40 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.594 K(o=-0.59,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.539 K(o=0.54,f=-6.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -45:sc= 1.33 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.789 K(o=0.79,f=-0.026) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.444 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.299 -11.122 5.528 1.00 0.00 N ATOM 21 CA GLN A 2 -4.099 -10.267 5.581 1.00 0.00 C ATOM 22 C GLN A 2 -3.675 -9.722 4.199 1.00 0.00 C ATOM 23 O GLN A 2 -3.882 -10.401 3.191 1.00 0.00 O ATOM 24 CB GLN A 2 -2.992 -11.073 6.269 1.00 0.00 C ATOM 25 CG GLN A 2 -1.671 -10.316 6.461 1.00 0.00 C ATOM 26 CD GLN A 2 -0.981 -10.804 7.724 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.393 -11.871 7.771 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.198 -10.143 8.839 1.00 0.00 N ATOM 0 HA GLN A 2 -4.318 -9.367 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.352 -11.400 7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.798 -11.971 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.023 -10.471 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.861 -9.245 6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.689 -9.249 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.876 -10.524 9.729 1.00 0.00 H new ATOM 37 N ILE A 3 -3.056 -8.533 4.172 1.00 0.00 N ATOM 38 CA ILE A 3 -2.493 -7.844 2.990 1.00 0.00 C ATOM 39 C ILE A 3 -1.100 -7.272 3.329 1.00 0.00 C ATOM 40 O ILE A 3 -0.787 -7.061 4.505 1.00 0.00 O ATOM 41 CB ILE A 3 -3.441 -6.728 2.470 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.484 -5.488 3.398 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.851 -7.283 2.195 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.341 -4.325 2.874 1.00 0.00 C ATOM 0 H ILE A 3 -2.924 -7.989 5.025 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.390 -8.575 2.188 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.024 -6.380 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.866 -5.793 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.466 -5.131 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.493 -6.481 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.792 -8.069 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.267 -7.693 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.312 -3.502 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.949 -3.987 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.371 -4.660 2.747 1.00 0.00 H new ATOM 56 N PHE A 4 -0.292 -6.987 2.299 1.00 0.00 N ATOM 57 CA PHE A 4 1.115 -6.575 2.439 1.00 0.00 C ATOM 58 C PHE A 4 1.496 -5.327 1.623 1.00 0.00 C ATOM 59 O PHE A 4 0.905 -5.097 0.569 1.00 0.00 O ATOM 60 CB PHE A 4 2.017 -7.749 2.033 1.00 0.00 C ATOM 61 CG PHE A 4 1.828 -8.994 2.880 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.327 -9.053 4.193 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.106 -10.089 2.356 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.111 -10.204 4.977 1.00 0.00 C ATOM 65 CE2 PHE A 4 0.882 -11.229 3.144 1.00 0.00 C ATOM 66 CZ PHE A 4 1.380 -11.283 4.460 1.00 0.00 C ATOM 0 H PHE A 4 -0.601 -7.036 1.328 1.00 0.00 H new ATOM 0 HA PHE A 4 1.256 -6.301 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.823 -7.999 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.058 -7.433 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.876 -8.217 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.725 -10.049 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.510 -10.255 5.979 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.328 -12.064 2.741 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.199 -12.155 5.071 1.00 0.00 H new ATOM 76 N VAL A 5 2.519 -4.569 2.044 1.00 0.00 N ATOM 77 CA VAL A 5 3.135 -3.473 1.260 1.00 0.00 C ATOM 78 C VAL A 5 4.619 -3.709 0.953 1.00 0.00 C ATOM 79 O VAL A 5 5.360 -4.161 1.825 1.00 0.00 O ATOM 80 CB VAL A 5 2.892 -2.068 1.857 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.119 -0.961 0.817 1.00 0.00 C ATOM 82 CG2 VAL A 5 1.487 -1.890 2.449 1.00 0.00 C ATOM 0 H VAL A 5 2.955 -4.698 2.957 1.00 0.00 H new ATOM 0 HA VAL A 5 2.608 -3.493 0.306 1.00 0.00 H new ATOM 0 HB VAL A 5 3.619 -1.982 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.938 0.011 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.146 -1.007 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.434 -1.101 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.386 -0.881 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.741 -2.047 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.334 -2.615 3.248 1.00 0.00 H new ATOM 92 N LYS A 6 5.059 -3.375 -0.267 1.00 0.00 N ATOM 93 CA LYS A 6 6.433 -3.492 -0.776 1.00 0.00 C ATOM 94 C LYS A 6 7.071 -2.107 -0.792 1.00 0.00 C ATOM 95 O LYS A 6 6.644 -1.256 -1.567 1.00 0.00 O ATOM 96 CB LYS A 6 6.362 -4.125 -2.184 1.00 0.00 C ATOM 97 CG LYS A 6 7.563 -3.921 -3.126 1.00 0.00 C ATOM 98 CD LYS A 6 8.816 -4.730 -2.732 1.00 0.00 C ATOM 99 CE LYS A 6 9.829 -4.696 -3.892 1.00 0.00 C ATOM 100 NZ LYS A 6 10.828 -5.799 -3.846 1.00 0.00 N ATOM 0 H LYS A 6 4.426 -2.992 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 6 7.052 -4.128 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.211 -5.198 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.475 -3.733 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.268 -4.198 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.819 -2.862 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.264 -4.312 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.541 -5.760 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.288 -4.747 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.354 -3.741 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.476 -5.714 -4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.370 -5.740 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.337 -6.715 -3.891 1.00 0.00 H new ATOM 114 N THR A 7 8.073 -1.872 0.046 1.00 0.00 N ATOM 115 CA THR A 7 8.855 -0.628 0.032 1.00 0.00 C ATOM 116 C THR A 7 9.952 -0.571 -1.040 1.00 0.00 C ATOM 117 O THR A 7 10.313 -1.581 -1.644 1.00 0.00 O ATOM 118 CB THR A 7 9.471 -0.335 1.419 1.00 0.00 C ATOM 119 OG1 THR A 7 10.618 -1.136 1.566 1.00 0.00 O ATOM 120 CG2 THR A 7 8.555 -0.604 2.610 1.00 0.00 C ATOM 0 H THR A 7 8.372 -2.537 0.759 1.00 0.00 H new ATOM 0 HA THR A 7 8.131 0.144 -0.228 1.00 0.00 H new ATOM 0 HB THR A 7 9.681 0.735 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.298 -0.644 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.081 -0.367 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.663 0.017 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.266 -1.655 2.616 1.00 0.00 H new ATOM 128 N LEU A 8 10.548 0.615 -1.212 1.00 0.00 N ATOM 129 CA LEU A 8 11.765 0.833 -2.013 1.00 0.00 C ATOM 130 C LEU A 8 12.979 0.066 -1.449 1.00 0.00 C ATOM 131 O LEU A 8 13.799 -0.432 -2.212 1.00 0.00 O ATOM 132 CB LEU A 8 12.086 2.344 -2.062 1.00 0.00 C ATOM 133 CG LEU A 8 11.226 3.246 -2.971 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.293 2.822 -4.438 1.00 0.00 C ATOM 135 CD2 LEU A 8 9.758 3.338 -2.548 1.00 0.00 C ATOM 0 H LEU A 8 10.191 1.472 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 8 11.572 0.453 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.015 2.732 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.125 2.453 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 8 11.668 4.236 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.671 3.487 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.324 2.877 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.931 1.799 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.221 3.990 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.311 2.344 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.695 3.745 -1.539 1.00 0.00 H new ATOM 147 N THR A 9 13.067 -0.086 -0.121 1.00 0.00 N ATOM 148 CA THR A 9 14.052 -0.954 0.565 1.00 0.00 C ATOM 149 C THR A 9 13.693 -2.447 0.489 1.00 0.00 C ATOM 150 O THR A 9 14.343 -3.276 1.125 1.00 0.00 O ATOM 151 CB THR A 9 14.263 -0.521 2.030 1.00 0.00 C ATOM 152 OG1 THR A 9 13.079 -0.650 2.796 1.00 0.00 O ATOM 153 CG2 THR A 9 14.714 0.933 2.167 1.00 0.00 C ATOM 0 H THR A 9 12.445 0.398 0.526 1.00 0.00 H new ATOM 0 HA THR A 9 14.991 -0.825 0.026 1.00 0.00 H new ATOM 0 HB THR A 9 15.043 -1.188 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.254 -0.368 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.845 1.176 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.660 1.072 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.960 1.590 1.734 1.00 0.00 H new ATOM 161 N GLY A 10 12.664 -2.818 -0.280 1.00 0.00 N ATOM 162 CA GLY A 10 12.271 -4.198 -0.564 1.00 0.00 C ATOM 163 C GLY A 10 11.547 -4.936 0.565 1.00 0.00 C ATOM 164 O GLY A 10 11.080 -6.047 0.334 1.00 0.00 O ATOM 0 H GLY A 10 12.060 -2.136 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.626 -4.198 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.166 -4.763 -0.825 1.00 0.00 H new ATOM 168 N LYS A 11 11.431 -4.344 1.763 1.00 0.00 N ATOM 169 CA LYS A 11 10.802 -4.964 2.940 1.00 0.00 C ATOM 170 C LYS A 11 9.291 -5.175 2.774 1.00 0.00 C ATOM 171 O LYS A 11 8.583 -4.295 2.281 1.00 0.00 O ATOM 172 CB LYS A 11 11.094 -4.133 4.207 1.00 0.00 C ATOM 173 CG LYS A 11 12.539 -4.233 4.729 1.00 0.00 C ATOM 174 CD LYS A 11 12.828 -5.529 5.510 1.00 0.00 C ATOM 175 CE LYS A 11 14.228 -5.439 6.135 1.00 0.00 C ATOM 176 NZ LYS A 11 14.523 -6.535 7.094 1.00 0.00 N ATOM 0 H LYS A 11 11.778 -3.402 1.945 1.00 0.00 H new ATOM 0 HA LYS A 11 11.245 -5.954 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.870 -3.087 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.415 -4.452 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.226 -4.167 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.743 -3.378 5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.078 -5.674 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.768 -6.390 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.973 -5.453 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.327 -4.482 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.482 -6.412 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.834 -6.510 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.460 -7.451 6.605 1.00 0.00 H new ATOM 190 N THR A 12 8.819 -6.322 3.263 1.00 0.00 N ATOM 191 CA THR A 12 7.403 -6.674 3.434 1.00 0.00 C ATOM 192 C THR A 12 6.732 -6.084 4.676 1.00 0.00 C ATOM 193 O THR A 12 6.926 -6.578 5.788 1.00 0.00 O ATOM 194 CB THR A 12 7.154 -8.194 3.331 1.00 0.00 C ATOM 195 OG1 THR A 12 8.112 -8.819 2.504 1.00 0.00 O ATOM 196 CG2 THR A 12 5.767 -8.517 2.784 1.00 0.00 C ATOM 0 H THR A 12 9.442 -7.070 3.567 1.00 0.00 H new ATOM 0 HA THR A 12 6.913 -6.191 2.589 1.00 0.00 H new ATOM 0 HB THR A 12 7.234 -8.577 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.929 -9.781 2.460 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.640 -9.598 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.009 -8.095 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.660 -8.089 1.787 1.00 0.00 H new ATOM 204 N ILE A 13 5.949 -5.018 4.509 1.00 0.00 N ATOM 205 CA ILE A 13 5.160 -4.412 5.594 1.00 0.00 C ATOM 206 C ILE A 13 3.834 -5.157 5.741 1.00 0.00 C ATOM 207 O ILE A 13 3.159 -5.418 4.745 1.00 0.00 O ATOM 208 CB ILE A 13 4.907 -2.910 5.350 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.150 -2.144 4.851 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.309 -2.238 6.600 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.359 -2.185 5.801 1.00 0.00 C ATOM 0 H ILE A 13 5.840 -4.544 3.613 1.00 0.00 H new ATOM 0 HA ILE A 13 5.733 -4.498 6.517 1.00 0.00 H new ATOM 0 HB ILE A 13 4.179 -2.859 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.450 -2.555 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.874 -1.103 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.141 -1.180 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.361 -2.714 6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.001 -2.343 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.183 -1.620 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.084 -1.745 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.668 -3.219 5.952 1.00 0.00 H new ATOM 223 N THR A 14 3.447 -5.455 6.981 1.00 0.00 N ATOM 224 CA THR A 14 2.249 -6.238 7.325 1.00 0.00 C ATOM 225 C THR A 14 1.116 -5.435 7.969 1.00 0.00 C ATOM 226 O THR A 14 1.364 -4.603 8.842 1.00 0.00 O ATOM 227 CB THR A 14 2.610 -7.479 8.156 1.00 0.00 C ATOM 228 OG1 THR A 14 3.760 -8.114 7.640 1.00 0.00 O ATOM 229 CG2 THR A 14 1.478 -8.500 8.173 1.00 0.00 C ATOM 0 H THR A 14 3.971 -5.152 7.802 1.00 0.00 H new ATOM 0 HA THR A 14 1.843 -6.565 6.368 1.00 0.00 H new ATOM 0 HB THR A 14 2.794 -7.125 9.170 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.972 -8.900 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.774 -9.362 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.586 -8.047 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.263 -8.822 7.154 1.00 0.00 H new ATOM 237 N LEU A 15 -0.131 -5.702 7.566 1.00 0.00 N ATOM 238 CA LEU A 15 -1.340 -5.070 8.110 1.00 0.00 C ATOM 239 C LEU A 15 -2.354 -6.114 8.622 1.00 0.00 C ATOM 240 O LEU A 15 -2.337 -7.285 8.238 1.00 0.00 O ATOM 241 CB LEU A 15 -1.943 -4.136 7.036 1.00 0.00 C ATOM 242 CG LEU A 15 -1.191 -2.793 6.901 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.472 -2.148 5.543 1.00 0.00 C ATOM 244 CD2 LEU A 15 -1.618 -1.798 7.986 1.00 0.00 C ATOM 0 H LEU A 15 -0.334 -6.382 6.833 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.074 -4.472 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.934 -4.648 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.986 -3.937 7.282 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.130 -3.019 7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.932 -1.204 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.143 -2.817 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.542 -1.963 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.069 -0.865 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.687 -1.604 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.402 -2.217 8.969 1.00 0.00 H new ATOM 256 N GLU A 16 -3.260 -5.656 9.489 1.00 0.00 N ATOM 257 CA GLU A 16 -4.456 -6.375 9.949 1.00 0.00 C ATOM 258 C GLU A 16 -5.654 -5.431 9.743 1.00 0.00 C ATOM 259 O GLU A 16 -5.618 -4.286 10.193 1.00 0.00 O ATOM 260 CB GLU A 16 -4.267 -6.852 11.407 1.00 0.00 C ATOM 261 CG GLU A 16 -5.426 -7.744 11.889 1.00 0.00 C ATOM 262 CD GLU A 16 -5.090 -8.593 13.132 1.00 0.00 C ATOM 263 OE1 GLU A 16 -4.411 -8.118 14.075 1.00 0.00 O ATOM 264 OE2 GLU A 16 -5.493 -9.782 13.163 1.00 0.00 O ATOM 0 H GLU A 16 -3.178 -4.731 9.911 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.637 -7.286 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.330 -7.404 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.183 -5.985 12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.286 -7.114 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.721 -8.408 11.077 1.00 0.00 H new ATOM 271 N VAL A 17 -6.651 -5.870 8.969 1.00 0.00 N ATOM 272 CA VAL A 17 -7.700 -5.028 8.353 1.00 0.00 C ATOM 273 C VAL A 17 -8.920 -5.912 8.057 1.00 0.00 C ATOM 274 O VAL A 17 -8.802 -7.134 7.920 1.00 0.00 O ATOM 275 CB VAL A 17 -7.219 -4.420 7.008 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.324 -3.191 7.213 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.468 -5.407 6.098 1.00 0.00 C ATOM 0 H VAL A 17 -6.760 -6.858 8.741 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.941 -4.219 9.043 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.147 -4.137 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.013 -2.802 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.879 -2.423 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.443 -3.474 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.168 -4.900 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.582 -5.776 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.121 -6.245 5.853 1.00 0.00 H new ATOM 287 N GLU A 18 -10.097 -5.303 7.911 1.00 0.00 N ATOM 288 CA GLU A 18 -11.246 -5.964 7.273 1.00 0.00 C ATOM 289 C GLU A 18 -11.135 -5.920 5.734 1.00 0.00 C ATOM 290 O GLU A 18 -10.639 -4.932 5.197 1.00 0.00 O ATOM 291 CB GLU A 18 -12.580 -5.311 7.692 1.00 0.00 C ATOM 292 CG GLU A 18 -13.002 -5.569 9.151 1.00 0.00 C ATOM 293 CD GLU A 18 -14.513 -5.368 9.398 1.00 0.00 C ATOM 294 OE1 GLU A 18 -15.337 -5.580 8.473 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.892 -5.030 10.544 1.00 0.00 O ATOM 0 H GLU A 18 -10.284 -4.351 8.225 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.233 -7.001 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.505 -4.235 7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.368 -5.674 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.729 -6.588 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.442 -4.902 9.807 1.00 0.00 H new ATOM 302 N PRO A 19 -11.700 -6.884 4.976 1.00 0.00 N ATOM 303 CA PRO A 19 -11.953 -6.695 3.538 1.00 0.00 C ATOM 304 C PRO A 19 -12.922 -5.524 3.262 1.00 0.00 C ATOM 305 O PRO A 19 -12.939 -4.967 2.163 1.00 0.00 O ATOM 306 CB PRO A 19 -12.538 -8.028 3.065 1.00 0.00 C ATOM 307 CG PRO A 19 -13.255 -8.561 4.307 1.00 0.00 C ATOM 308 CD PRO A 19 -12.348 -8.102 5.449 1.00 0.00 C ATOM 0 HA PRO A 19 -11.040 -6.432 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.227 -7.891 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.759 -8.711 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.261 -8.151 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.355 -9.646 4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.925 -7.912 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.611 -8.867 5.695 1.00 0.00 H new ATOM 316 N SER A 20 -13.706 -5.151 4.277 1.00 0.00 N ATOM 317 CA SER A 20 -14.606 -4.001 4.340 1.00 0.00 C ATOM 318 C SER A 20 -13.866 -2.663 4.466 1.00 0.00 C ATOM 319 O SER A 20 -14.487 -1.628 4.233 1.00 0.00 O ATOM 320 CB SER A 20 -15.495 -4.129 5.593 1.00 0.00 C ATOM 321 OG SER A 20 -15.799 -5.477 5.906 1.00 0.00 O ATOM 0 H SER A 20 -13.728 -5.689 5.143 1.00 0.00 H new ATOM 0 HA SER A 20 -15.175 -4.004 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.990 -3.667 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.422 -3.578 5.435 1.00 0.00 H new ATOM 0 HG SER A 20 -15.984 -5.556 6.865 1.00 0.00 H new ATOM 327 N ASP A 21 -12.581 -2.646 4.861 1.00 0.00 N ATOM 328 CA ASP A 21 -11.832 -1.399 5.044 1.00 0.00 C ATOM 329 C ASP A 21 -11.828 -0.456 3.834 1.00 0.00 C ATOM 330 O ASP A 21 -11.494 -0.830 2.702 1.00 0.00 O ATOM 331 CB ASP A 21 -10.426 -1.596 5.653 1.00 0.00 C ATOM 332 CG ASP A 21 -10.382 -1.586 7.188 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.941 -0.623 7.775 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.683 -2.403 7.818 1.00 0.00 O ATOM 0 H ASP A 21 -12.041 -3.488 5.059 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.416 -0.871 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.021 -2.544 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.770 -0.810 5.280 1.00 0.00 H new ATOM 339 N THR A 22 -12.187 0.801 4.097 1.00 0.00 N ATOM 340 CA THR A 22 -12.025 1.887 3.135 1.00 0.00 C ATOM 341 C THR A 22 -10.567 2.149 2.775 1.00 0.00 C ATOM 342 O THR A 22 -9.669 2.001 3.608 1.00 0.00 O ATOM 343 CB THR A 22 -12.806 3.172 3.476 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.974 4.046 4.198 1.00 0.00 O ATOM 345 CG2 THR A 22 -14.081 2.947 4.287 1.00 0.00 C ATOM 0 H THR A 22 -12.598 1.093 4.984 1.00 0.00 H new ATOM 0 HA THR A 22 -12.503 1.519 2.227 1.00 0.00 H new ATOM 0 HB THR A 22 -13.113 3.590 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.468 4.864 4.414 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.563 3.905 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.760 2.305 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.830 2.470 5.234 1.00 0.00 H new ATOM 353 N ILE A 23 -10.314 2.584 1.540 1.00 0.00 N ATOM 354 CA ILE A 23 -8.966 2.953 1.098 1.00 0.00 C ATOM 355 C ILE A 23 -8.384 4.070 1.982 1.00 0.00 C ATOM 356 O ILE A 23 -7.183 4.065 2.245 1.00 0.00 O ATOM 357 CB ILE A 23 -9.000 3.313 -0.405 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.373 2.111 -1.305 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.663 3.900 -0.872 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.485 0.861 -1.183 1.00 0.00 C ATOM 0 H ILE A 23 -11.031 2.690 0.822 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.291 2.105 1.213 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.783 4.064 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.400 1.823 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.354 2.443 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.723 4.142 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.445 4.805 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.869 3.171 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.847 0.090 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.458 1.118 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.520 0.488 -0.159 1.00 0.00 H new ATOM 372 N GLU A 24 -9.223 4.972 2.501 1.00 0.00 N ATOM 373 CA GLU A 24 -8.846 5.973 3.509 1.00 0.00 C ATOM 374 C GLU A 24 -8.457 5.345 4.856 1.00 0.00 C ATOM 375 O GLU A 24 -7.424 5.698 5.418 1.00 0.00 O ATOM 376 CB GLU A 24 -10.002 6.966 3.693 1.00 0.00 C ATOM 377 CG GLU A 24 -9.731 7.984 4.807 1.00 0.00 C ATOM 378 CD GLU A 24 -10.845 9.022 4.849 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.892 8.745 5.482 1.00 0.00 O ATOM 380 OE2 GLU A 24 -10.662 10.109 4.250 1.00 0.00 O ATOM 0 H GLU A 24 -10.204 5.029 2.228 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.960 6.492 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.174 7.495 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.915 6.417 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.662 7.474 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.772 8.474 4.637 1.00 0.00 H new ATOM 387 N ASN A 25 -9.246 4.394 5.366 1.00 0.00 N ATOM 388 CA ASN A 25 -9.013 3.759 6.665 1.00 0.00 C ATOM 389 C ASN A 25 -7.657 3.022 6.681 1.00 0.00 C ATOM 390 O ASN A 25 -6.854 3.190 7.600 1.00 0.00 O ATOM 391 CB ASN A 25 -10.212 2.835 6.953 1.00 0.00 C ATOM 392 CG ASN A 25 -10.344 2.547 8.436 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.449 2.005 9.054 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.447 2.896 9.056 1.00 0.00 N ATOM 0 H ASN A 25 -10.072 4.041 4.883 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.945 4.501 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.128 3.300 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.091 1.899 6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.551 2.712 10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.200 3.351 8.540 1.00 0.00 H new ATOM 401 N VAL A 26 -7.320 2.311 5.601 1.00 0.00 N ATOM 402 CA VAL A 26 -5.967 1.751 5.407 1.00 0.00 C ATOM 403 C VAL A 26 -4.876 2.829 5.277 1.00 0.00 C ATOM 404 O VAL A 26 -3.796 2.683 5.856 1.00 0.00 O ATOM 405 CB VAL A 26 -5.918 0.761 4.233 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.608 -0.037 4.218 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.066 -0.260 4.281 1.00 0.00 C ATOM 0 H VAL A 26 -7.966 2.105 4.839 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.744 1.198 6.319 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.004 1.377 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.611 -0.726 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.766 0.648 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.515 -0.601 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.987 -0.937 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.006 -0.832 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.021 0.264 4.240 1.00 0.00 H new ATOM 417 N LYS A 27 -5.159 3.945 4.583 1.00 0.00 N ATOM 418 CA LYS A 27 -4.285 5.134 4.527 1.00 0.00 C ATOM 419 C LYS A 27 -4.068 5.795 5.891 1.00 0.00 C ATOM 420 O LYS A 27 -3.114 6.555 6.015 1.00 0.00 O ATOM 421 CB LYS A 27 -4.875 6.195 3.572 1.00 0.00 C ATOM 422 CG LYS A 27 -3.886 6.618 2.476 1.00 0.00 C ATOM 423 CD LYS A 27 -3.800 5.635 1.299 1.00 0.00 C ATOM 424 CE LYS A 27 -5.051 5.598 0.408 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.368 6.892 -0.241 1.00 0.00 N ATOM 0 H LYS A 27 -6.014 4.050 4.036 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.322 4.771 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.778 5.799 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.171 7.072 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.177 7.598 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.895 6.728 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.939 5.898 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.618 4.634 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.912 4.841 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.904 5.287 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.258 7.266 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.600 7.569 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.469 6.751 -1.266 1.00 0.00 H new ATOM 439 N ALA A 28 -4.924 5.547 6.877 1.00 0.00 N ATOM 440 CA ALA A 28 -4.709 5.961 8.267 1.00 0.00 C ATOM 441 C ALA A 28 -3.860 4.928 9.029 1.00 0.00 C ATOM 442 O ALA A 28 -2.776 5.251 9.519 1.00 0.00 O ATOM 443 CB ALA A 28 -6.065 6.228 8.936 1.00 0.00 C ATOM 0 H ALA A 28 -5.801 5.046 6.735 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.139 6.890 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.906 6.536 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.587 7.019 8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.666 5.319 8.916 1.00 0.00 H new ATOM 449 N LYS A 29 -4.299 3.658 9.046 1.00 0.00 N ATOM 450 CA LYS A 29 -3.659 2.545 9.779 1.00 0.00 C ATOM 451 C LYS A 29 -2.155 2.384 9.508 1.00 0.00 C ATOM 452 O LYS A 29 -1.400 2.041 10.416 1.00 0.00 O ATOM 453 CB LYS A 29 -4.436 1.242 9.483 1.00 0.00 C ATOM 454 CG LYS A 29 -5.788 1.185 10.222 1.00 0.00 C ATOM 455 CD LYS A 29 -6.738 0.114 9.652 1.00 0.00 C ATOM 456 CE LYS A 29 -7.945 -0.079 10.585 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.134 -0.625 9.881 1.00 0.00 N ATOM 0 H LYS A 29 -5.133 3.366 8.536 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.712 2.785 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.608 1.160 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.829 0.385 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.611 0.981 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.271 2.161 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.080 0.412 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.205 -0.830 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.668 -0.752 11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.204 0.877 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.792 -1.033 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.610 0.139 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.833 -1.364 9.214 1.00 0.00 H new ATOM 471 N ILE A 30 -1.693 2.683 8.290 1.00 0.00 N ATOM 472 CA ILE A 30 -0.266 2.587 7.921 1.00 0.00 C ATOM 473 C ILE A 30 0.642 3.570 8.697 1.00 0.00 C ATOM 474 O ILE A 30 1.815 3.265 8.934 1.00 0.00 O ATOM 475 CB ILE A 30 -0.108 2.764 6.391 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.254 2.178 5.954 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.261 4.222 5.928 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.412 2.030 4.435 1.00 0.00 C ATOM 0 H ILE A 30 -2.293 2.999 7.528 1.00 0.00 H new ATOM 0 HA ILE A 30 0.072 1.592 8.210 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.920 2.220 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.051 2.819 6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.383 1.201 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.139 4.275 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.251 4.588 6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.498 4.838 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.394 1.613 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.638 1.365 4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.317 3.008 3.962 1.00 0.00 H new ATOM 490 N GLN A 31 0.139 4.744 9.097 1.00 0.00 N ATOM 491 CA GLN A 31 0.939 5.745 9.816 1.00 0.00 C ATOM 492 C GLN A 31 1.134 5.437 11.305 1.00 0.00 C ATOM 493 O GLN A 31 2.148 5.828 11.870 1.00 0.00 O ATOM 494 CB GLN A 31 0.363 7.154 9.615 1.00 0.00 C ATOM 495 CG GLN A 31 0.747 7.747 8.247 1.00 0.00 C ATOM 496 CD GLN A 31 -0.457 8.031 7.365 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.404 8.697 7.755 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.455 7.575 6.133 1.00 0.00 N ATOM 0 H GLN A 31 -0.827 5.026 8.933 1.00 0.00 H new ATOM 0 HA GLN A 31 1.935 5.700 9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.723 7.117 9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.724 7.809 10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.304 8.671 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.413 7.056 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.330 7.018 5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.239 7.778 5.513 1.00 0.00 H new ATOM 507 N ASP A 32 0.211 4.705 11.929 1.00 0.00 N ATOM 508 CA ASP A 32 0.388 4.208 13.302 1.00 0.00 C ATOM 509 C ASP A 32 1.383 3.024 13.307 1.00 0.00 C ATOM 510 O ASP A 32 2.299 2.967 14.132 1.00 0.00 O ATOM 511 CB ASP A 32 -0.995 3.778 13.829 1.00 0.00 C ATOM 512 CG ASP A 32 -1.035 3.499 15.337 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.117 3.928 16.064 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.027 2.887 15.799 1.00 0.00 O ATOM 0 H ASP A 32 -0.677 4.439 11.504 1.00 0.00 H new ATOM 0 HA ASP A 32 0.799 4.984 13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.719 4.559 13.596 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.311 2.881 13.297 1.00 0.00 H new ATOM 519 N LYS A 33 1.237 2.084 12.358 1.00 0.00 N ATOM 520 CA LYS A 33 1.938 0.786 12.391 1.00 0.00 C ATOM 521 C LYS A 33 3.410 0.818 11.948 1.00 0.00 C ATOM 522 O LYS A 33 4.208 0.065 12.502 1.00 0.00 O ATOM 523 CB LYS A 33 1.116 -0.252 11.601 1.00 0.00 C ATOM 524 CG LYS A 33 0.950 -1.534 12.429 1.00 0.00 C ATOM 525 CD LYS A 33 -0.049 -2.509 11.792 1.00 0.00 C ATOM 526 CE LYS A 33 -0.132 -3.836 12.563 1.00 0.00 C ATOM 527 NZ LYS A 33 -0.569 -3.685 13.974 1.00 0.00 N ATOM 0 H LYS A 33 0.630 2.201 11.546 1.00 0.00 H new ATOM 0 HA LYS A 33 2.003 0.496 13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.138 0.160 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.614 -0.480 10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.918 -2.025 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.613 -1.275 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.036 -2.047 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.245 -2.707 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.824 -4.502 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.846 -4.317 12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.634 -4.622 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.121 -3.103 14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.501 -3.223 14.001 1.00 0.00 H new ATOM 541 N GLU A 34 3.761 1.661 10.972 1.00 0.00 N ATOM 542 CA GLU A 34 5.141 1.825 10.479 1.00 0.00 C ATOM 543 C GLU A 34 5.531 3.292 10.204 1.00 0.00 C ATOM 544 O GLU A 34 6.709 3.631 10.285 1.00 0.00 O ATOM 545 CB GLU A 34 5.325 0.950 9.227 1.00 0.00 C ATOM 546 CG GLU A 34 6.737 0.937 8.609 1.00 0.00 C ATOM 547 CD GLU A 34 7.847 0.317 9.488 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.560 -0.242 10.573 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.046 0.400 9.115 1.00 0.00 O ATOM 0 H GLU A 34 3.088 2.259 10.492 1.00 0.00 H new ATOM 0 HA GLU A 34 5.818 1.499 11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.053 -0.074 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.621 1.287 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.697 0.390 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.019 1.963 8.370 1.00 0.00 H new ATOM 556 N GLY A 35 4.565 4.182 9.930 1.00 0.00 N ATOM 557 CA GLY A 35 4.827 5.621 9.777 1.00 0.00 C ATOM 558 C GLY A 35 5.054 6.093 8.337 1.00 0.00 C ATOM 559 O GLY A 35 5.981 6.858 8.090 1.00 0.00 O ATOM 0 H GLY A 35 3.585 3.926 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.986 6.174 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.704 5.879 10.370 1.00 0.00 H new ATOM 563 N ILE A 36 4.223 5.654 7.378 1.00 0.00 N ATOM 564 CA ILE A 36 4.294 6.068 5.956 1.00 0.00 C ATOM 565 C ILE A 36 3.259 7.180 5.608 1.00 0.00 C ATOM 566 O ILE A 36 2.133 6.844 5.231 1.00 0.00 O ATOM 567 CB ILE A 36 4.136 4.826 5.037 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.006 3.608 5.442 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.410 5.193 3.567 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.523 3.852 5.460 1.00 0.00 C ATOM 0 H ILE A 36 3.470 4.992 7.565 1.00 0.00 H new ATOM 0 HA ILE A 36 5.276 6.509 5.782 1.00 0.00 H new ATOM 0 HB ILE A 36 3.099 4.514 5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.697 3.278 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.796 2.789 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.293 4.307 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.704 5.959 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.427 5.573 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.035 2.937 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.856 4.148 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.756 4.644 6.171 1.00 0.00 H new ATOM 582 N PRO A 37 3.574 8.491 5.745 1.00 0.00 N ATOM 583 CA PRO A 37 2.669 9.605 5.423 1.00 0.00 C ATOM 584 C PRO A 37 2.643 9.964 3.915 1.00 0.00 C ATOM 585 O PRO A 37 3.620 9.696 3.203 1.00 0.00 O ATOM 586 CB PRO A 37 3.195 10.786 6.241 1.00 0.00 C ATOM 587 CG PRO A 37 4.702 10.545 6.234 1.00 0.00 C ATOM 588 CD PRO A 37 4.779 9.027 6.364 1.00 0.00 C ATOM 0 HA PRO A 37 1.640 9.336 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.935 11.742 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.789 10.792 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.168 10.900 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.200 11.051 7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.671 8.641 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.840 8.731 7.411 1.00 0.00 H new ATOM 596 N PRO A 38 1.583 10.646 3.423 1.00 0.00 N ATOM 597 CA PRO A 38 1.396 10.944 1.995 1.00 0.00 C ATOM 598 C PRO A 38 2.467 11.880 1.414 1.00 0.00 C ATOM 599 O PRO A 38 2.899 11.684 0.283 1.00 0.00 O ATOM 600 CB PRO A 38 -0.006 11.558 1.874 1.00 0.00 C ATOM 601 CG PRO A 38 -0.249 12.161 3.258 1.00 0.00 C ATOM 602 CD PRO A 38 0.449 11.165 4.183 1.00 0.00 C ATOM 0 HA PRO A 38 1.497 10.029 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.046 12.317 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.754 10.805 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.176 13.161 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.312 12.246 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.782 11.650 5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.227 10.361 4.475 1.00 0.00 H new ATOM 610 N ASP A 39 2.935 12.869 2.178 1.00 0.00 N ATOM 611 CA ASP A 39 4.059 13.733 1.754 1.00 0.00 C ATOM 612 C ASP A 39 5.441 13.063 1.645 1.00 0.00 C ATOM 613 O ASP A 39 6.373 13.648 1.094 1.00 0.00 O ATOM 614 CB ASP A 39 4.093 15.104 2.473 1.00 0.00 C ATOM 615 CG ASP A 39 3.230 16.179 1.802 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.351 15.843 0.983 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.481 17.388 2.057 1.00 0.00 O ATOM 0 H ASP A 39 2.558 13.099 3.097 1.00 0.00 H new ATOM 0 HA ASP A 39 3.814 13.938 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.757 14.972 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.124 15.455 2.517 1.00 0.00 H new ATOM 622 N GLN A 40 5.582 11.817 2.112 1.00 0.00 N ATOM 623 CA GLN A 40 6.773 11.005 1.851 1.00 0.00 C ATOM 624 C GLN A 40 6.535 9.991 0.713 1.00 0.00 C ATOM 625 O GLN A 40 7.416 9.816 -0.127 1.00 0.00 O ATOM 626 CB GLN A 40 7.220 10.327 3.158 1.00 0.00 C ATOM 627 CG GLN A 40 8.631 9.697 3.102 1.00 0.00 C ATOM 628 CD GLN A 40 9.791 10.603 3.521 1.00 0.00 C ATOM 629 OE1 GLN A 40 10.843 10.125 3.917 1.00 0.00 O ATOM 630 NE2 GLN A 40 9.707 11.909 3.364 1.00 0.00 N ATOM 0 H GLN A 40 4.877 11.346 2.679 1.00 0.00 H new ATOM 0 HA GLN A 40 7.579 11.652 1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.196 11.063 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.499 9.551 3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.638 8.814 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.814 9.355 2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.838 12.328 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.511 12.500 3.572 1.00 0.00 H new ATOM 639 N ASN A 41 5.368 9.337 0.650 1.00 0.00 N ATOM 640 CA ASN A 41 5.116 8.163 -0.200 1.00 0.00 C ATOM 641 C ASN A 41 3.622 7.954 -0.582 1.00 0.00 C ATOM 642 O ASN A 41 2.737 8.528 0.045 1.00 0.00 O ATOM 643 CB ASN A 41 5.659 6.923 0.533 1.00 0.00 C ATOM 644 CG ASN A 41 7.147 6.636 0.601 1.00 0.00 C ATOM 645 OD1 ASN A 41 7.727 5.947 -0.216 1.00 0.00 O ATOM 646 ND2 ASN A 41 7.785 6.965 1.695 1.00 0.00 N ATOM 0 H ASN A 41 4.555 9.614 1.200 1.00 0.00 H new ATOM 0 HA ASN A 41 5.627 8.329 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.299 6.978 1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.188 6.052 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.742 6.644 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.325 7.542 2.399 1.00 0.00 H new ATOM 653 N ARG A 42 3.315 7.099 -1.576 1.00 0.00 N ATOM 654 CA ARG A 42 1.965 6.863 -2.125 1.00 0.00 C ATOM 655 C ARG A 42 1.789 5.384 -2.505 1.00 0.00 C ATOM 656 O ARG A 42 2.613 4.813 -3.213 1.00 0.00 O ATOM 657 CB ARG A 42 1.732 7.796 -3.337 1.00 0.00 C ATOM 658 CG ARG A 42 0.415 8.577 -3.217 1.00 0.00 C ATOM 659 CD ARG A 42 0.189 9.505 -4.423 1.00 0.00 C ATOM 660 NE ARG A 42 -1.014 10.350 -4.245 1.00 0.00 N ATOM 661 CZ ARG A 42 -1.237 11.541 -4.780 1.00 0.00 C ATOM 662 NH1 ARG A 42 -0.425 12.074 -5.645 1.00 0.00 N ATOM 663 NH2 ARG A 42 -2.296 12.228 -4.454 1.00 0.00 N ATOM 0 H ARG A 42 4.027 6.532 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 42 1.217 7.093 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.563 8.497 -3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.721 7.205 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.417 7.877 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.425 9.167 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.063 10.141 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.083 8.907 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.750 9.975 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.416 11.572 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.629 12.994 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.962 11.849 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.458 13.144 -4.872 1.00 0.00 H new ATOM 677 N LEU A 43 0.711 4.759 -2.024 1.00 0.00 N ATOM 678 CA LEU A 43 0.434 3.328 -2.217 1.00 0.00 C ATOM 679 C LEU A 43 0.036 3.024 -3.671 1.00 0.00 C ATOM 680 O LEU A 43 -0.931 3.606 -4.172 1.00 0.00 O ATOM 681 CB LEU A 43 -0.709 2.878 -1.278 1.00 0.00 C ATOM 682 CG LEU A 43 -0.372 2.623 0.204 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.576 1.437 0.375 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.208 3.844 0.922 1.00 0.00 C ATOM 0 H LEU A 43 -0.007 5.238 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 43 1.348 2.781 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.491 3.637 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.134 1.961 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.330 2.394 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.789 1.291 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.111 0.538 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.506 1.635 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.420 3.589 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.130 4.153 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.512 4.661 0.889 1.00 0.00 H new ATOM 696 N ILE A 44 0.737 2.078 -4.306 1.00 0.00 N ATOM 697 CA ILE A 44 0.354 1.528 -5.628 1.00 0.00 C ATOM 698 C ILE A 44 -0.223 0.105 -5.519 1.00 0.00 C ATOM 699 O ILE A 44 0.247 -0.705 -4.722 1.00 0.00 O ATOM 700 CB ILE A 44 1.556 1.563 -6.603 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.206 2.961 -6.701 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.188 1.066 -8.016 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.279 4.100 -7.159 1.00 0.00 C ATOM 0 H ILE A 44 1.588 1.666 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.437 2.164 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 44 2.285 0.876 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.614 3.221 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.047 2.902 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.067 1.112 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.834 0.037 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.402 1.698 -8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.839 5.034 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.890 3.875 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.450 4.199 -6.458 1.00 0.00 H new ATOM 715 N PHE A 45 -1.177 -0.261 -6.381 1.00 0.00 N ATOM 716 CA PHE A 45 -1.533 -1.664 -6.634 1.00 0.00 C ATOM 717 C PHE A 45 -1.745 -2.011 -8.114 1.00 0.00 C ATOM 718 O PHE A 45 -2.348 -1.219 -8.832 1.00 0.00 O ATOM 719 CB PHE A 45 -2.612 -2.154 -5.657 1.00 0.00 C ATOM 720 CG PHE A 45 -3.235 -3.500 -5.975 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.617 -4.679 -5.513 1.00 0.00 C ATOM 722 CD2 PHE A 45 -4.443 -3.579 -6.692 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.210 -5.930 -5.756 1.00 0.00 C ATOM 724 CE2 PHE A 45 -5.038 -4.832 -6.933 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.427 -6.005 -6.460 1.00 0.00 C ATOM 0 H PHE A 45 -1.725 0.406 -6.924 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.654 -2.266 -6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.175 -2.205 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.406 -1.408 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.685 -4.621 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.914 -2.678 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.733 -6.832 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.966 -4.891 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.891 -6.964 -6.636 1.00 0.00 H new ATOM 735 N ALA A 46 -1.183 -3.128 -8.593 1.00 0.00 N ATOM 736 CA ALA A 46 -1.225 -3.619 -9.988 1.00 0.00 C ATOM 737 C ALA A 46 -0.753 -2.664 -11.124 1.00 0.00 C ATOM 738 O ALA A 46 -0.703 -3.080 -12.281 1.00 0.00 O ATOM 739 CB ALA A 46 -2.626 -4.193 -10.254 1.00 0.00 C ATOM 0 H ALA A 46 -0.654 -3.755 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.450 -4.383 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.680 -4.561 -11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.820 -5.013 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.373 -3.412 -10.110 1.00 0.00 H new ATOM 745 N GLY A 47 -0.387 -1.410 -10.825 1.00 0.00 N ATOM 746 CA GLY A 47 -0.145 -0.342 -11.811 1.00 0.00 C ATOM 747 C GLY A 47 -1.190 0.790 -11.783 1.00 0.00 C ATOM 748 O GLY A 47 -1.374 1.490 -12.783 1.00 0.00 O ATOM 0 H GLY A 47 -0.247 -1.099 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.842 0.085 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.127 -0.781 -12.809 1.00 0.00 H new ATOM 752 N LYS A 48 -1.902 0.971 -10.658 1.00 0.00 N ATOM 753 CA LYS A 48 -2.873 2.053 -10.437 1.00 0.00 C ATOM 754 C LYS A 48 -2.805 2.574 -8.996 1.00 0.00 C ATOM 755 O LYS A 48 -2.439 1.852 -8.066 1.00 0.00 O ATOM 756 CB LYS A 48 -4.279 1.543 -10.818 1.00 0.00 C ATOM 757 CG LYS A 48 -5.152 2.620 -11.485 1.00 0.00 C ATOM 758 CD LYS A 48 -6.360 1.999 -12.214 1.00 0.00 C ATOM 759 CE LYS A 48 -7.024 2.978 -13.191 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.896 3.967 -12.517 1.00 0.00 N ATOM 0 H LYS A 48 -1.814 0.349 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.631 2.905 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.180 0.694 -11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.782 1.180 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.504 3.323 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.551 3.189 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.035 1.112 -12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.094 1.671 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.251 3.505 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.614 2.416 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.316 4.600 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.653 3.470 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.332 4.526 -11.845 1.00 0.00 H new ATOM 774 N GLN A 49 -3.118 3.854 -8.823 1.00 0.00 N ATOM 775 CA GLN A 49 -3.148 4.558 -7.538 1.00 0.00 C ATOM 776 C GLN A 49 -4.446 4.268 -6.760 1.00 0.00 C ATOM 777 O GLN A 49 -5.494 3.994 -7.352 1.00 0.00 O ATOM 778 CB GLN A 49 -3.010 6.074 -7.772 1.00 0.00 C ATOM 779 CG GLN A 49 -1.768 6.504 -8.578 1.00 0.00 C ATOM 780 CD GLN A 49 -2.027 6.648 -10.081 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.490 5.741 -10.762 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.725 7.785 -10.665 1.00 0.00 N ATOM 0 H GLN A 49 -3.369 4.458 -9.606 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.311 4.197 -6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.901 6.428 -8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.986 6.574 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.405 7.455 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.975 5.772 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.338 8.553 -10.116 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.877 7.900 -11.667 1.00 0.00 H new ATOM 791 N LEU A 50 -4.386 4.386 -5.429 1.00 0.00 N ATOM 792 CA LEU A 50 -5.473 4.050 -4.502 1.00 0.00 C ATOM 793 C LEU A 50 -6.034 5.312 -3.823 1.00 0.00 C ATOM 794 O LEU A 50 -5.482 5.796 -2.829 1.00 0.00 O ATOM 795 CB LEU A 50 -4.973 2.998 -3.492 1.00 0.00 C ATOM 796 CG LEU A 50 -4.462 1.680 -4.111 1.00 0.00 C ATOM 797 CD1 LEU A 50 -4.076 0.718 -2.991 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.519 0.987 -4.966 1.00 0.00 C ATOM 0 H LEU A 50 -3.552 4.729 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.306 3.614 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.170 3.438 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.785 2.766 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.612 1.934 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.714 -0.216 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.290 1.165 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.947 0.516 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.107 0.065 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.388 0.754 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.817 1.646 -5.781 1.00 0.00 H new ATOM 810 N GLU A 51 -7.125 5.855 -4.363 1.00 0.00 N ATOM 811 CA GLU A 51 -7.815 7.038 -3.833 1.00 0.00 C ATOM 812 C GLU A 51 -8.977 6.652 -2.891 1.00 0.00 C ATOM 813 O GLU A 51 -9.533 5.552 -2.958 1.00 0.00 O ATOM 814 CB GLU A 51 -8.239 7.961 -4.997 1.00 0.00 C ATOM 815 CG GLU A 51 -8.544 9.393 -4.504 1.00 0.00 C ATOM 816 CD GLU A 51 -8.885 10.439 -5.582 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.998 10.092 -6.783 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.052 11.629 -5.214 1.00 0.00 O ATOM 0 H GLU A 51 -7.567 5.478 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.125 7.605 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.446 7.994 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.121 7.548 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.378 9.341 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.680 9.751 -3.944 1.00 0.00 H new ATOM 825 N ASP A 52 -9.299 7.563 -1.977 1.00 0.00 N ATOM 826 CA ASP A 52 -10.451 7.553 -1.072 1.00 0.00 C ATOM 827 C ASP A 52 -11.844 7.319 -1.695 1.00 0.00 C ATOM 828 O ASP A 52 -12.038 7.355 -2.907 1.00 0.00 O ATOM 829 CB ASP A 52 -10.404 8.771 -0.112 1.00 0.00 C ATOM 830 CG ASP A 52 -9.772 10.039 -0.709 1.00 0.00 C ATOM 831 OD1 ASP A 52 -8.536 10.015 -0.920 1.00 0.00 O ATOM 832 OD2 ASP A 52 -10.493 11.042 -0.937 1.00 0.00 O ATOM 0 H ASP A 52 -8.720 8.391 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.328 6.636 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.420 9.004 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.846 8.490 0.781 1.00 0.00 H new ATOM 837 N GLY A 53 -12.832 7.010 -0.848 1.00 0.00 N ATOM 838 CA GLY A 53 -14.213 6.708 -1.256 1.00 0.00 C ATOM 839 C GLY A 53 -14.447 5.275 -1.760 1.00 0.00 C ATOM 840 O GLY A 53 -15.597 4.852 -1.843 1.00 0.00 O ATOM 0 H GLY A 53 -12.694 6.961 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.874 6.891 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.503 7.405 -2.042 1.00 0.00 H new ATOM 844 N ARG A 54 -13.391 4.505 -2.062 1.00 0.00 N ATOM 845 CA ARG A 54 -13.454 3.062 -2.351 1.00 0.00 C ATOM 846 C ARG A 54 -13.138 2.185 -1.132 1.00 0.00 C ATOM 847 O ARG A 54 -12.620 2.670 -0.125 1.00 0.00 O ATOM 848 CB ARG A 54 -12.520 2.748 -3.532 1.00 0.00 C ATOM 849 CG ARG A 54 -13.008 3.347 -4.859 1.00 0.00 C ATOM 850 CD ARG A 54 -12.303 4.643 -5.292 1.00 0.00 C ATOM 851 NE ARG A 54 -12.765 5.106 -6.621 1.00 0.00 N ATOM 852 CZ ARG A 54 -12.647 4.478 -7.782 1.00 0.00 C ATOM 853 NH1 ARG A 54 -11.934 3.400 -7.937 1.00 0.00 N ATOM 854 NH2 ARG A 54 -13.247 4.925 -8.846 1.00 0.00 N ATOM 0 H ARG A 54 -12.443 4.878 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.482 2.817 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.524 3.131 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.430 1.667 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.879 2.602 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.077 3.543 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.488 5.422 -4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.226 4.479 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.228 6.014 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.434 3.001 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.876 2.954 -8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.817 5.769 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.147 4.431 -9.733 1.00 0.00 H new ATOM 868 N THR A 55 -13.383 0.879 -1.252 1.00 0.00 N ATOM 869 CA THR A 55 -12.836 -0.187 -0.383 1.00 0.00 C ATOM 870 C THR A 55 -11.739 -1.027 -1.043 1.00 0.00 C ATOM 871 O THR A 55 -11.528 -0.933 -2.253 1.00 0.00 O ATOM 872 CB THR A 55 -13.916 -1.064 0.282 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.278 -2.123 -0.577 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.199 -0.328 0.665 1.00 0.00 C ATOM 0 H THR A 55 -13.991 0.511 -1.984 1.00 0.00 H new ATOM 0 HA THR A 55 -12.349 0.360 0.425 1.00 0.00 H new ATOM 0 HB THR A 55 -13.453 -1.414 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.963 -2.675 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.897 -1.028 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.965 0.468 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.652 0.102 -0.228 1.00 0.00 H new ATOM 882 N LEU A 56 -11.047 -1.865 -0.263 1.00 0.00 N ATOM 883 CA LEU A 56 -10.070 -2.840 -0.776 1.00 0.00 C ATOM 884 C LEU A 56 -10.660 -3.731 -1.886 1.00 0.00 C ATOM 885 O LEU A 56 -10.102 -3.808 -2.983 1.00 0.00 O ATOM 886 CB LEU A 56 -9.605 -3.727 0.390 1.00 0.00 C ATOM 887 CG LEU A 56 -8.714 -3.033 1.438 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.455 -3.993 2.598 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.357 -2.632 0.850 1.00 0.00 C ATOM 0 H LEU A 56 -11.148 -1.888 0.752 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.236 -2.287 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.486 -4.125 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.060 -4.578 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.237 -2.137 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.825 -3.504 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.403 -4.275 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.952 -4.886 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.757 -2.146 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.838 -3.522 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.510 -1.943 0.019 1.00 0.00 H new ATOM 901 N SER A 57 -11.806 -4.365 -1.616 1.00 0.00 N ATOM 902 CA SER A 57 -12.482 -5.262 -2.570 1.00 0.00 C ATOM 903 C SER A 57 -12.905 -4.554 -3.871 1.00 0.00 C ATOM 904 O SER A 57 -12.875 -5.160 -4.942 1.00 0.00 O ATOM 905 CB SER A 57 -13.695 -5.898 -1.878 1.00 0.00 C ATOM 906 OG SER A 57 -14.317 -6.854 -2.712 1.00 0.00 O ATOM 0 H SER A 57 -12.296 -4.272 -0.726 1.00 0.00 H new ATOM 0 HA SER A 57 -11.769 -6.031 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.379 -6.373 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.413 -5.122 -1.612 1.00 0.00 H new ATOM 0 HG SER A 57 -15.085 -7.244 -2.246 1.00 0.00 H new ATOM 912 N ASP A 58 -13.227 -3.256 -3.813 1.00 0.00 N ATOM 913 CA ASP A 58 -13.612 -2.469 -5.005 1.00 0.00 C ATOM 914 C ASP A 58 -12.411 -2.197 -5.939 1.00 0.00 C ATOM 915 O ASP A 58 -12.550 -2.172 -7.162 1.00 0.00 O ATOM 916 CB ASP A 58 -14.313 -1.174 -4.560 1.00 0.00 C ATOM 917 CG ASP A 58 -14.840 -0.307 -5.714 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.308 -0.858 -6.739 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.853 0.933 -5.550 1.00 0.00 O ATOM 0 H ASP A 58 -13.230 -2.718 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.314 -3.056 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.146 -1.433 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.615 -0.583 -3.967 1.00 0.00 H new ATOM 924 N TYR A 59 -11.199 -2.102 -5.378 1.00 0.00 N ATOM 925 CA TYR A 59 -9.930 -2.222 -6.109 1.00 0.00 C ATOM 926 C TYR A 59 -9.484 -3.641 -6.525 1.00 0.00 C ATOM 927 O TYR A 59 -8.352 -3.840 -6.961 1.00 0.00 O ATOM 928 CB TYR A 59 -8.836 -1.361 -5.455 1.00 0.00 C ATOM 929 CG TYR A 59 -8.839 0.108 -5.845 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.213 0.487 -7.055 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.344 1.088 -4.976 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.038 1.844 -7.363 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.161 2.459 -5.279 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.492 2.834 -6.457 1.00 0.00 C ATOM 935 OH TYR A 59 -8.208 4.138 -6.703 1.00 0.00 O ATOM 0 H TYR A 59 -11.070 -1.936 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.136 -1.804 -7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.941 -1.432 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.864 -1.784 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.869 -0.270 -7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.871 0.797 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.559 2.133 -8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.535 3.216 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.267 4.225 -6.962 1.00 0.00 H new ATOM 945 N ASN A 60 -10.363 -4.636 -6.364 1.00 0.00 N ATOM 946 CA ASN A 60 -10.113 -6.077 -6.530 1.00 0.00 C ATOM 947 C ASN A 60 -9.029 -6.654 -5.590 1.00 0.00 C ATOM 948 O ASN A 60 -8.560 -7.769 -5.822 1.00 0.00 O ATOM 949 CB ASN A 60 -9.861 -6.445 -8.010 1.00 0.00 C ATOM 950 CG ASN A 60 -10.866 -5.894 -9.003 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.507 -5.218 -9.957 1.00 0.00 O ATOM 952 ND2 ASN A 60 -12.139 -6.192 -8.875 1.00 0.00 N ATOM 0 H ASN A 60 -11.329 -4.448 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.035 -6.566 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.869 -6.091 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.848 -7.531 -8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.812 -5.861 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.454 -6.755 -8.085 1.00 0.00 H new ATOM 959 N ILE A 61 -8.628 -5.942 -4.531 1.00 0.00 N ATOM 960 CA ILE A 61 -7.564 -6.367 -3.607 1.00 0.00 C ATOM 961 C ILE A 61 -8.052 -7.555 -2.759 1.00 0.00 C ATOM 962 O ILE A 61 -9.128 -7.496 -2.164 1.00 0.00 O ATOM 963 CB ILE A 61 -7.074 -5.180 -2.737 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.741 -3.941 -3.608 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.853 -5.605 -1.896 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.240 -2.705 -2.853 1.00 0.00 C ATOM 0 H ILE A 61 -9.038 -5.041 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.702 -6.703 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.882 -4.897 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.984 -4.228 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.635 -3.664 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.518 -4.763 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.130 -6.434 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.046 -5.919 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.039 -1.902 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.000 -2.380 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.324 -2.953 -2.317 1.00 0.00 H new ATOM 978 N GLN A 62 -7.270 -8.638 -2.709 1.00 0.00 N ATOM 979 CA GLN A 62 -7.619 -9.902 -2.047 1.00 0.00 C ATOM 980 C GLN A 62 -6.759 -10.165 -0.797 1.00 0.00 C ATOM 981 O GLN A 62 -5.805 -9.447 -0.495 1.00 0.00 O ATOM 982 CB GLN A 62 -7.475 -11.072 -3.048 1.00 0.00 C ATOM 983 CG GLN A 62 -8.313 -10.945 -4.328 1.00 0.00 C ATOM 984 CD GLN A 62 -9.801 -10.701 -4.074 1.00 0.00 C ATOM 985 OE1 GLN A 62 -10.478 -11.412 -3.340 1.00 0.00 O ATOM 986 NE2 GLN A 62 -10.369 -9.693 -4.695 1.00 0.00 N ATOM 0 H GLN A 62 -6.347 -8.661 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.654 -9.824 -1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.425 -11.162 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.751 -11.997 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.918 -10.126 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.200 -11.856 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.816 -9.095 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.364 -9.508 -4.564 1.00 0.00 H new ATOM 995 N LYS A 63 -7.065 -11.261 -0.090 1.00 0.00 N ATOM 996 CA LYS A 63 -6.136 -11.877 0.872 1.00 0.00 C ATOM 997 C LYS A 63 -4.817 -12.237 0.164 1.00 0.00 C ATOM 998 O LYS A 63 -4.841 -12.640 -0.995 1.00 0.00 O ATOM 999 CB LYS A 63 -6.824 -13.087 1.547 1.00 0.00 C ATOM 1000 CG LYS A 63 -7.114 -14.293 0.621 1.00 0.00 C ATOM 1001 CD LYS A 63 -8.211 -15.216 1.190 1.00 0.00 C ATOM 1002 CE LYS A 63 -8.263 -16.561 0.448 1.00 0.00 C ATOM 1003 NZ LYS A 63 -9.432 -17.388 0.850 1.00 0.00 N ATOM 0 H LYS A 63 -7.959 -11.745 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.879 -11.176 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.196 -13.427 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.765 -12.751 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.420 -13.930 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.198 -14.866 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.025 -15.392 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.179 -14.721 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.303 -16.379 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.345 -17.116 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.422 -18.284 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.382 -17.587 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.311 -16.873 0.640 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.688 -12.090 0.859 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.308 -12.246 0.332 1.00 0.00 C ATOM 1019 C GLU A 64 -1.840 -11.127 -0.634 1.00 0.00 C ATOM 1020 O GLU A 64 -0.641 -11.017 -0.879 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.105 -13.672 -0.248 1.00 0.00 C ATOM 1022 CG GLU A 64 -0.649 -14.175 -0.344 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.539 -15.502 -1.125 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.664 -15.494 -2.374 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.312 -16.571 -0.507 1.00 0.00 O ATOM 0 H GLU A 64 -3.698 -11.848 1.850 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.645 -12.124 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.669 -14.374 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.542 -13.700 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.036 -13.417 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.247 -14.312 0.660 1.00 0.00 H new ATOM 1032 N SER A 65 -2.717 -10.245 -1.137 1.00 0.00 N ATOM 1033 CA SER A 65 -2.342 -9.235 -2.140 1.00 0.00 C ATOM 1034 C SER A 65 -1.201 -8.302 -1.709 1.00 0.00 C ATOM 1035 O SER A 65 -1.257 -7.647 -0.665 1.00 0.00 O ATOM 1036 CB SER A 65 -3.539 -8.383 -2.577 1.00 0.00 C ATOM 1037 OG SER A 65 -4.401 -9.115 -3.432 1.00 0.00 O ATOM 0 H SER A 65 -3.699 -10.211 -0.863 1.00 0.00 H new ATOM 0 HA SER A 65 -1.979 -9.827 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.091 -8.048 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.185 -7.489 -3.091 1.00 0.00 H new ATOM 0 HG SER A 65 -4.721 -8.532 -4.152 1.00 0.00 H new ATOM 1043 N THR A 66 -0.185 -8.209 -2.572 1.00 0.00 N ATOM 1044 CA THR A 66 0.975 -7.320 -2.439 1.00 0.00 C ATOM 1045 C THR A 66 0.831 -5.935 -3.065 1.00 0.00 C ATOM 1046 O THR A 66 1.015 -5.750 -4.269 1.00 0.00 O ATOM 1047 CB THR A 66 2.300 -7.994 -2.852 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.224 -9.399 -2.770 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.487 -7.517 -2.018 1.00 0.00 C ATOM 0 H THR A 66 -0.146 -8.775 -3.419 1.00 0.00 H new ATOM 0 HA THR A 66 1.011 -7.131 -1.366 1.00 0.00 H new ATOM 0 HB THR A 66 2.461 -7.699 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.081 -9.789 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.393 -8.024 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.608 -6.441 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.309 -7.746 -0.967 1.00 0.00 H new ATOM 1057 N LEU A 67 0.516 -4.937 -2.243 1.00 0.00 N ATOM 1058 CA LEU A 67 0.608 -3.539 -2.638 1.00 0.00 C ATOM 1059 C LEU A 67 2.081 -3.165 -2.835 1.00 0.00 C ATOM 1060 O LEU A 67 2.951 -3.597 -2.083 1.00 0.00 O ATOM 1061 CB LEU A 67 -0.058 -2.636 -1.586 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.577 -2.867 -1.453 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.963 -3.905 -0.396 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -2.254 -1.556 -1.055 1.00 0.00 C ATOM 0 H LEU A 67 0.191 -5.077 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 67 0.079 -3.392 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.414 -2.808 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.122 -1.593 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.903 -3.238 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.048 -4.008 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.514 -4.866 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.602 -3.582 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.328 -1.715 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.852 -1.214 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.065 -0.802 -1.819 1.00 0.00 H new ATOM 1076 N HIS A 68 2.365 -2.337 -3.830 1.00 0.00 N ATOM 1077 CA HIS A 68 3.644 -1.662 -3.964 1.00 0.00 C ATOM 1078 C HIS A 68 3.557 -0.290 -3.393 1.00 0.00 C ATOM 1079 O HIS A 68 2.500 0.258 -3.072 1.00 0.00 O ATOM 1080 CB HIS A 68 4.138 -1.647 -5.414 1.00 0.00 C ATOM 1081 CG HIS A 68 4.551 -3.009 -5.926 1.00 0.00 C ATOM 1082 ND1 HIS A 68 3.797 -4.164 -5.967 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.775 -3.318 -6.451 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.563 -5.140 -6.486 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.785 -4.673 -6.782 1.00 0.00 N ATOM 0 H HIS A 68 1.705 -2.114 -4.575 1.00 0.00 H new ATOM 0 HA HIS A 68 4.386 -2.224 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.349 -1.251 -6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.985 -0.966 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.596 -2.629 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.239 -6.158 -6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.565 -5.202 -7.171 1.00 0.00 H new ATOM 1093 N LEU A 69 4.745 0.250 -3.265 1.00 0.00 N ATOM 1094 CA LEU A 69 4.892 1.594 -2.880 1.00 0.00 C ATOM 1095 C LEU A 69 5.636 2.442 -3.902 1.00 0.00 C ATOM 1096 O LEU A 69 6.534 1.956 -4.588 1.00 0.00 O ATOM 1097 CB LEU A 69 5.603 1.676 -1.549 1.00 0.00 C ATOM 1098 CG LEU A 69 5.686 2.984 -0.754 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.279 3.480 -0.455 1.00 0.00 C ATOM 1100 CD2 LEU A 69 6.417 2.732 0.567 1.00 0.00 C ATOM 0 H LEU A 69 5.622 -0.245 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 69 3.884 2.001 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.134 0.940 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.628 1.345 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 69 6.226 3.730 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.334 4.410 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.748 3.655 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.746 2.731 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.477 3.662 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.872 1.988 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.423 2.367 0.362 1.00 0.00 H new ATOM 1112 N VAL A 70 5.362 3.742 -3.860 1.00 0.00 N ATOM 1113 CA VAL A 70 6.389 4.733 -4.163 1.00 0.00 C ATOM 1114 C VAL A 70 6.526 5.775 -3.102 1.00 0.00 C ATOM 1115 O VAL A 70 5.648 5.951 -2.278 1.00 0.00 O ATOM 1116 CB VAL A 70 6.092 5.599 -5.423 1.00 0.00 C ATOM 1117 CG1 VAL A 70 6.971 5.086 -6.538 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.626 5.670 -5.853 1.00 0.00 C ATOM 0 H VAL A 70 4.449 4.131 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 70 7.270 4.103 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 70 6.318 6.634 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.791 5.670 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.018 5.179 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.740 4.038 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.537 6.299 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.265 4.667 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.030 6.095 -5.045 1.00 0.00 H new ATOM 1128 N LEU A 71 7.560 6.584 -3.279 1.00 0.00 N ATOM 1129 CA LEU A 71 7.510 7.966 -2.878 1.00 0.00 C ATOM 1130 C LEU A 71 6.353 8.861 -3.364 1.00 0.00 C ATOM 1131 O LEU A 71 5.589 8.557 -4.273 1.00 0.00 O ATOM 1132 CB LEU A 71 8.787 8.692 -3.291 1.00 0.00 C ATOM 1133 CG LEU A 71 10.115 8.534 -2.508 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.544 9.875 -1.907 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.147 7.502 -1.386 1.00 0.00 C ATOM 0 H LEU A 71 8.444 6.298 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 71 7.360 7.846 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.994 8.402 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.553 9.757 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 71 10.797 8.164 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.478 9.747 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.688 10.602 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.772 10.232 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.134 7.497 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.397 7.756 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.932 6.514 -1.794 1.00 0.00 H new