USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= -0.73 USER MOD Set 1.2: A 52 THR OG1 : rot 93:sc= 0.0214 USER MOD Set 2.1: A 45 THR OG1 : rot -3:sc= -0.144 USER MOD Set 2.2: A 54 THR OG1 : rot 144:sc= 0.653 USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.19 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0.474 (180deg=0.415) USER MOD Single : A 9 ASN : amide:sc= -3.97! K(o=-4!,f=-2.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -90:sc= 0.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -116:sc= 0.636 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.875 USER MOD Single : A 36 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.219 X(o=0.22,f=-0.03) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -168:sc= -1.51 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.998 -12.600 5.928 1.00 0.00 N ATOM 21 CA THR A 2 -2.070 -11.677 4.758 1.00 0.00 C ATOM 22 C THR A 2 -0.833 -10.768 4.722 1.00 0.00 C ATOM 23 O THR A 2 0.056 -10.953 3.914 1.00 0.00 O ATOM 24 CB THR A 2 -3.353 -10.868 4.976 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.464 -11.753 5.015 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.535 -9.873 3.830 1.00 0.00 C ATOM 0 HA THR A 2 -2.088 -12.206 3.805 1.00 0.00 H new ATOM 0 HB THR A 2 -3.284 -10.324 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.180 -12.619 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.448 -9.299 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.682 -9.195 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.605 -10.414 2.886 1.00 0.00 H new ATOM 34 N THR A 3 -0.768 -9.789 5.594 1.00 0.00 N ATOM 35 CA THR A 3 0.411 -8.861 5.624 1.00 0.00 C ATOM 36 C THR A 3 0.718 -8.306 4.226 1.00 0.00 C ATOM 37 O THR A 3 1.621 -8.769 3.553 1.00 0.00 O ATOM 38 CB THR A 3 1.580 -9.709 6.131 1.00 0.00 C ATOM 39 OG1 THR A 3 1.187 -10.388 7.315 1.00 0.00 O ATOM 40 CG2 THR A 3 2.784 -8.811 6.430 1.00 0.00 C ATOM 0 H THR A 3 -1.486 -9.591 6.291 1.00 0.00 H new ATOM 0 HA THR A 3 0.221 -7.998 6.262 1.00 0.00 H new ATOM 0 HB THR A 3 1.859 -10.435 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.933 -10.934 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.612 -9.421 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.085 -8.291 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.513 -8.081 7.192 1.00 0.00 H new ATOM 48 N PHE A 4 -0.019 -7.314 3.797 1.00 0.00 N ATOM 49 CA PHE A 4 0.230 -6.718 2.451 1.00 0.00 C ATOM 50 C PHE A 4 1.436 -5.778 2.517 1.00 0.00 C ATOM 51 O PHE A 4 1.687 -5.153 3.531 1.00 0.00 O ATOM 52 CB PHE A 4 -1.042 -5.939 2.116 1.00 0.00 C ATOM 53 CG PHE A 4 -2.031 -6.855 1.435 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.808 -7.267 0.116 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.169 -7.291 2.120 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.722 -8.116 -0.516 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.084 -8.139 1.487 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.860 -8.553 0.170 1.00 0.00 C ATOM 0 H PHE A 4 -0.784 -6.890 4.322 1.00 0.00 H new ATOM 0 HA PHE A 4 0.450 -7.472 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.479 -5.527 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.804 -5.096 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.930 -6.929 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.342 -6.973 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.549 -8.434 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.964 -8.474 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.565 -9.210 -0.317 1.00 0.00 H new ATOM 68 N LYS A 5 2.184 -5.677 1.449 1.00 0.00 N ATOM 69 CA LYS A 5 3.379 -4.781 1.451 1.00 0.00 C ATOM 70 C LYS A 5 3.156 -3.601 0.500 1.00 0.00 C ATOM 71 O LYS A 5 2.070 -3.410 -0.016 1.00 0.00 O ATOM 72 CB LYS A 5 4.532 -5.658 0.957 1.00 0.00 C ATOM 73 CG LYS A 5 4.731 -6.836 1.918 1.00 0.00 C ATOM 74 CD LYS A 5 4.003 -8.069 1.376 1.00 0.00 C ATOM 75 CE LYS A 5 4.466 -9.313 2.138 1.00 0.00 C ATOM 76 NZ LYS A 5 3.431 -10.346 1.853 1.00 0.00 N ATOM 0 H LYS A 5 2.019 -6.176 0.575 1.00 0.00 H new ATOM 0 HA LYS A 5 3.580 -4.361 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.318 -6.026 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.447 -5.070 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.794 -7.050 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.349 -6.581 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.925 -7.944 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.206 -8.185 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.451 -9.638 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.543 -9.115 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.767 -11.274 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.550 -10.101 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.253 -10.385 0.829 1.00 0.00 H new ATOM 90 N LEU A 6 4.173 -2.805 0.269 1.00 0.00 N ATOM 91 CA LEU A 6 4.017 -1.635 -0.647 1.00 0.00 C ATOM 92 C LEU A 6 5.391 -1.120 -1.086 1.00 0.00 C ATOM 93 O LEU A 6 6.086 -0.467 -0.329 1.00 0.00 O ATOM 94 CB LEU A 6 3.278 -0.578 0.188 1.00 0.00 C ATOM 95 CG LEU A 6 3.095 0.710 -0.626 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.964 0.524 -1.637 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.742 1.863 0.317 1.00 0.00 C ATOM 0 H LEU A 6 5.102 -2.916 0.675 1.00 0.00 H new ATOM 0 HA LEU A 6 3.473 -1.887 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.306 -0.963 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.840 -0.365 1.097 1.00 0.00 H new ATOM 0 HG LEU A 6 4.022 0.936 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.837 1.440 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.209 -0.297 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.038 0.296 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.612 2.778 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.816 1.632 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.546 2.001 1.040 1.00 0.00 H new ATOM 109 N ILE A 7 5.773 -1.385 -2.311 1.00 0.00 N ATOM 110 CA ILE A 7 7.085 -0.886 -2.807 1.00 0.00 C ATOM 111 C ILE A 7 6.896 0.541 -3.303 1.00 0.00 C ATOM 112 O ILE A 7 6.169 0.784 -4.250 1.00 0.00 O ATOM 113 CB ILE A 7 7.477 -1.812 -3.962 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.575 -3.265 -3.464 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.830 -1.367 -4.534 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.636 -3.383 -2.363 1.00 0.00 C ATOM 0 H ILE A 7 5.231 -1.925 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 7 7.857 -0.883 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 7 6.716 -1.757 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.608 -3.591 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.829 -3.924 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.111 -2.025 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.752 -0.343 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.589 -1.417 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.693 -4.417 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.605 -3.077 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.365 -2.739 -1.526 1.00 0.00 H new ATOM 128 N ILE A 8 7.518 1.488 -2.657 1.00 0.00 N ATOM 129 CA ILE A 8 7.344 2.907 -3.081 1.00 0.00 C ATOM 130 C ILE A 8 8.409 3.270 -4.124 1.00 0.00 C ATOM 131 O ILE A 8 9.585 3.318 -3.819 1.00 0.00 O ATOM 132 CB ILE A 8 7.529 3.787 -1.830 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.828 3.171 -0.566 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.983 5.187 -2.155 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.476 3.833 -0.255 1.00 0.00 C ATOM 0 H ILE A 8 8.136 1.343 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 8 6.359 3.059 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 8 8.588 3.848 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.677 2.103 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.486 3.276 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.101 5.834 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.534 5.606 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.926 5.115 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.037 3.368 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.626 4.896 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.804 3.705 -1.104 1.00 0.00 H new ATOM 147 N ASN A 9 8.012 3.531 -5.348 1.00 0.00 N ATOM 148 CA ASN A 9 9.021 3.897 -6.401 1.00 0.00 C ATOM 149 C ASN A 9 9.338 5.393 -6.300 1.00 0.00 C ATOM 150 O ASN A 9 9.071 6.025 -5.295 1.00 0.00 O ATOM 151 CB ASN A 9 8.395 3.594 -7.783 1.00 0.00 C ATOM 152 CG ASN A 9 7.483 2.359 -7.746 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.854 1.327 -7.223 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.295 2.430 -8.288 1.00 0.00 N ATOM 0 H ASN A 9 7.042 3.508 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 9 9.941 3.328 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.821 4.458 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.189 3.436 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.678 1.618 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.986 3.297 -8.727 1.00 0.00 H new ATOM 161 N GLY A 10 9.897 5.965 -7.338 1.00 0.00 N ATOM 162 CA GLY A 10 10.226 7.423 -7.317 1.00 0.00 C ATOM 163 C GLY A 10 11.196 7.724 -6.172 1.00 0.00 C ATOM 164 O GLY A 10 11.824 6.835 -5.631 1.00 0.00 O ATOM 0 H GLY A 10 10.140 5.482 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.670 7.718 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.314 8.008 -7.196 1.00 0.00 H new ATOM 168 N LYS A 11 11.319 8.975 -5.802 1.00 0.00 N ATOM 169 CA LYS A 11 12.247 9.346 -4.693 1.00 0.00 C ATOM 170 C LYS A 11 11.459 9.893 -3.497 1.00 0.00 C ATOM 171 O LYS A 11 11.960 10.692 -2.729 1.00 0.00 O ATOM 172 CB LYS A 11 13.166 10.425 -5.279 1.00 0.00 C ATOM 173 CG LYS A 11 12.336 11.616 -5.770 1.00 0.00 C ATOM 174 CD LYS A 11 13.250 12.826 -5.966 1.00 0.00 C ATOM 175 CE LYS A 11 12.467 13.958 -6.635 1.00 0.00 C ATOM 176 NZ LYS A 11 13.459 14.646 -7.507 1.00 0.00 N ATOM 0 H LYS A 11 10.815 9.756 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 11 12.813 8.489 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.879 10.756 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.745 10.011 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.840 11.366 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.554 11.850 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.640 13.159 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.108 12.551 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.631 13.570 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.050 14.641 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.998 15.436 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.240 15.010 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.833 13.972 -8.205 1.00 0.00 H new ATOM 190 N THR A 12 10.231 9.465 -3.336 1.00 0.00 N ATOM 191 CA THR A 12 9.408 9.958 -2.189 1.00 0.00 C ATOM 192 C THR A 12 10.002 9.471 -0.864 1.00 0.00 C ATOM 193 O THR A 12 10.667 10.214 -0.165 1.00 0.00 O ATOM 194 CB THR A 12 8.007 9.379 -2.415 1.00 0.00 C ATOM 195 OG1 THR A 12 8.075 7.961 -2.448 1.00 0.00 O ATOM 196 CG2 THR A 12 7.448 9.897 -3.741 1.00 0.00 C ATOM 0 H THR A 12 9.764 8.796 -3.949 1.00 0.00 H new ATOM 0 HA THR A 12 9.382 11.046 -2.137 1.00 0.00 H new ATOM 0 HB THR A 12 7.353 9.689 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.225 7.662 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.452 9.485 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.390 10.985 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.103 9.590 -4.557 1.00 0.00 H new ATOM 204 N LEU A 13 9.769 8.233 -0.517 1.00 0.00 N ATOM 205 CA LEU A 13 10.320 7.691 0.763 1.00 0.00 C ATOM 206 C LEU A 13 10.998 6.325 0.537 1.00 0.00 C ATOM 207 O LEU A 13 11.902 5.961 1.260 1.00 0.00 O ATOM 208 CB LEU A 13 9.113 7.586 1.711 1.00 0.00 C ATOM 209 CG LEU A 13 8.093 6.579 1.181 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.480 5.157 1.617 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.712 6.922 1.752 1.00 0.00 C ATOM 0 H LEU A 13 9.220 7.571 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 13 11.094 8.333 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.449 7.283 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.643 8.564 1.819 1.00 0.00 H new ATOM 0 HG LEU A 13 8.073 6.625 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.747 4.447 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.465 4.910 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.503 5.104 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.977 6.209 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.746 6.873 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.430 7.928 1.443 1.00 0.00 H new ATOM 223 N LYS A 14 10.575 5.579 -0.464 1.00 0.00 N ATOM 224 CA LYS A 14 11.191 4.237 -0.758 1.00 0.00 C ATOM 225 C LYS A 14 11.120 3.307 0.460 1.00 0.00 C ATOM 226 O LYS A 14 11.743 3.548 1.477 1.00 0.00 O ATOM 227 CB LYS A 14 12.647 4.521 -1.141 1.00 0.00 C ATOM 228 CG LYS A 14 12.689 5.249 -2.487 1.00 0.00 C ATOM 229 CD LYS A 14 14.118 5.239 -3.031 1.00 0.00 C ATOM 230 CE LYS A 14 14.092 5.470 -4.544 1.00 0.00 C ATOM 231 NZ LYS A 14 15.468 5.144 -5.007 1.00 0.00 N ATOM 0 H LYS A 14 9.821 5.846 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 14 10.655 3.727 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.124 5.128 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.206 3.588 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.016 4.765 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.342 6.275 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.709 6.015 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.597 4.286 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.352 4.833 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.830 6.501 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.529 5.279 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.151 5.771 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.687 4.155 -4.774 1.00 0.00 H new ATOM 245 N GLY A 15 10.371 2.234 0.358 1.00 0.00 N ATOM 246 CA GLY A 15 10.267 1.284 1.505 1.00 0.00 C ATOM 247 C GLY A 15 9.166 0.255 1.240 1.00 0.00 C ATOM 248 O GLY A 15 8.299 0.454 0.409 1.00 0.00 O ATOM 0 H GLY A 15 9.830 1.978 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.220 0.777 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.050 1.832 2.422 1.00 0.00 H new ATOM 252 N GLU A 16 9.203 -0.843 1.951 1.00 0.00 N ATOM 253 CA GLU A 16 8.172 -1.906 1.770 1.00 0.00 C ATOM 254 C GLU A 16 7.609 -2.318 3.135 1.00 0.00 C ATOM 255 O GLU A 16 7.680 -3.468 3.527 1.00 0.00 O ATOM 256 CB GLU A 16 8.927 -3.069 1.126 1.00 0.00 C ATOM 257 CG GLU A 16 7.952 -4.207 0.818 1.00 0.00 C ATOM 258 CD GLU A 16 8.650 -5.552 1.022 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.840 -5.929 2.168 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.982 -6.182 0.032 1.00 0.00 O ATOM 0 H GLU A 16 9.911 -1.049 2.656 1.00 0.00 H new ATOM 0 HA GLU A 16 7.329 -1.579 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.414 -2.736 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.712 -3.421 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.079 -4.137 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.593 -4.124 -0.208 1.00 0.00 H new ATOM 267 N ILE A 17 7.056 -1.380 3.861 1.00 0.00 N ATOM 268 CA ILE A 17 6.488 -1.704 5.207 1.00 0.00 C ATOM 269 C ILE A 17 5.312 -2.676 5.053 1.00 0.00 C ATOM 270 O ILE A 17 4.264 -2.320 4.547 1.00 0.00 O ATOM 271 CB ILE A 17 6.018 -0.362 5.785 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.210 0.596 5.896 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.416 -0.577 7.178 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.750 2.023 5.598 1.00 0.00 C ATOM 0 H ILE A 17 6.973 -0.403 3.581 1.00 0.00 H new ATOM 0 HA ILE A 17 7.216 -2.184 5.861 1.00 0.00 H new ATOM 0 HB ILE A 17 5.263 0.064 5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.640 0.543 6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.992 0.302 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.084 0.379 7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.566 -1.255 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.169 -1.008 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.598 2.703 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.340 2.070 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.983 2.315 6.315 1.00 0.00 H new ATOM 286 N THR A 18 5.483 -3.897 5.492 1.00 0.00 N ATOM 287 CA THR A 18 4.382 -4.903 5.381 1.00 0.00 C ATOM 288 C THR A 18 3.314 -4.629 6.444 1.00 0.00 C ATOM 289 O THR A 18 3.620 -4.211 7.546 1.00 0.00 O ATOM 290 CB THR A 18 5.051 -6.260 5.630 1.00 0.00 C ATOM 291 OG1 THR A 18 5.617 -6.272 6.933 1.00 0.00 O ATOM 292 CG2 THR A 18 6.155 -6.502 4.592 1.00 0.00 C ATOM 0 H THR A 18 6.340 -4.242 5.924 1.00 0.00 H new ATOM 0 HA THR A 18 3.887 -4.868 4.411 1.00 0.00 H new ATOM 0 HB THR A 18 4.303 -7.049 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.044 -7.139 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.624 -7.468 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.722 -6.495 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.905 -5.715 4.668 1.00 0.00 H new ATOM 300 N ILE A 19 2.064 -4.861 6.124 1.00 0.00 N ATOM 301 CA ILE A 19 0.975 -4.612 7.123 1.00 0.00 C ATOM 302 C ILE A 19 -0.172 -5.612 6.935 1.00 0.00 C ATOM 303 O ILE A 19 -0.632 -5.839 5.832 1.00 0.00 O ATOM 304 CB ILE A 19 0.494 -3.180 6.855 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.025 -3.061 5.416 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.657 -2.205 7.056 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.550 -3.207 5.408 1.00 0.00 C ATOM 0 H ILE A 19 1.751 -5.211 5.218 1.00 0.00 H new ATOM 0 HA ILE A 19 1.331 -4.734 8.146 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.312 -2.940 7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.261 -2.098 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.428 -3.830 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.316 -1.187 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.022 -2.280 8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.463 -2.453 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.918 -3.122 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.824 -4.181 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.994 -2.422 6.020 1.00 0.00 H new ATOM 319 N GLU A 20 -0.640 -6.202 8.007 1.00 0.00 N ATOM 320 CA GLU A 20 -1.763 -7.184 7.899 1.00 0.00 C ATOM 321 C GLU A 20 -3.090 -6.448 7.699 1.00 0.00 C ATOM 322 O GLU A 20 -3.244 -5.310 8.101 1.00 0.00 O ATOM 323 CB GLU A 20 -1.759 -7.957 9.225 1.00 0.00 C ATOM 324 CG GLU A 20 -1.966 -6.993 10.405 1.00 0.00 C ATOM 325 CD GLU A 20 -0.662 -6.847 11.193 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.315 -6.406 10.608 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.662 -7.177 12.368 1.00 0.00 O ATOM 0 H GLU A 20 -0.292 -6.046 8.953 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.643 -7.854 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.548 -8.709 9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.814 -8.488 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.290 -6.019 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.755 -7.367 11.057 1.00 0.00 H new ATOM 334 N ALA A 21 -4.045 -7.092 7.078 1.00 0.00 N ATOM 335 CA ALA A 21 -5.365 -6.437 6.847 1.00 0.00 C ATOM 336 C ALA A 21 -6.401 -7.472 6.402 1.00 0.00 C ATOM 337 O ALA A 21 -6.061 -8.559 5.973 1.00 0.00 O ATOM 338 CB ALA A 21 -5.108 -5.424 5.730 1.00 0.00 C ATOM 0 H ALA A 21 -3.966 -8.044 6.721 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.756 -5.965 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.033 -4.896 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.353 -4.708 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.755 -5.945 4.840 1.00 0.00 H new ATOM 344 N VAL A 22 -7.664 -7.138 6.502 1.00 0.00 N ATOM 345 CA VAL A 22 -8.742 -8.091 6.086 1.00 0.00 C ATOM 346 C VAL A 22 -8.507 -8.569 4.644 1.00 0.00 C ATOM 347 O VAL A 22 -8.711 -9.726 4.323 1.00 0.00 O ATOM 348 CB VAL A 22 -10.049 -7.288 6.195 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.987 -6.058 5.281 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.231 -8.170 5.782 1.00 0.00 C ATOM 0 H VAL A 22 -7.997 -6.241 6.856 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.766 -8.986 6.708 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.180 -6.962 7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.917 -5.495 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.152 -5.425 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.849 -6.379 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.156 -7.599 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.095 -8.502 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.284 -9.038 6.439 1.00 0.00 H new ATOM 360 N ASP A 23 -8.071 -7.685 3.786 1.00 0.00 N ATOM 361 CA ASP A 23 -7.804 -8.069 2.366 1.00 0.00 C ATOM 362 C ASP A 23 -6.937 -6.998 1.701 1.00 0.00 C ATOM 363 O ASP A 23 -6.611 -5.994 2.307 1.00 0.00 O ATOM 364 CB ASP A 23 -9.181 -8.152 1.691 1.00 0.00 C ATOM 365 CG ASP A 23 -9.947 -6.829 1.847 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.344 -5.850 2.259 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.129 -6.820 1.547 1.00 0.00 O ATOM 0 H ASP A 23 -7.887 -6.707 4.008 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.270 -9.016 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.059 -8.384 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.758 -8.965 2.131 1.00 0.00 H new ATOM 372 N ALA A 24 -6.557 -7.201 0.463 1.00 0.00 N ATOM 373 CA ALA A 24 -5.706 -6.187 -0.230 1.00 0.00 C ATOM 374 C ALA A 24 -6.451 -4.853 -0.322 1.00 0.00 C ATOM 375 O ALA A 24 -5.849 -3.796 -0.327 1.00 0.00 O ATOM 376 CB ALA A 24 -5.439 -6.749 -1.625 1.00 0.00 C ATOM 0 H ALA A 24 -6.798 -8.021 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.776 -6.002 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.818 -6.050 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.923 -7.705 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.385 -6.893 -2.147 1.00 0.00 H new ATOM 382 N ALA A 25 -7.761 -4.897 -0.388 1.00 0.00 N ATOM 383 CA ALA A 25 -8.558 -3.635 -0.473 1.00 0.00 C ATOM 384 C ALA A 25 -8.220 -2.721 0.709 1.00 0.00 C ATOM 385 O ALA A 25 -7.920 -1.554 0.536 1.00 0.00 O ATOM 386 CB ALA A 25 -10.023 -4.074 -0.412 1.00 0.00 C ATOM 0 H ALA A 25 -8.312 -5.755 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.345 -3.075 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.668 -3.197 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.239 -4.739 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.207 -4.599 0.525 1.00 0.00 H new ATOM 392 N GLU A 26 -8.249 -3.253 1.905 1.00 0.00 N ATOM 393 CA GLU A 26 -7.908 -2.426 3.101 1.00 0.00 C ATOM 394 C GLU A 26 -6.428 -2.057 3.050 1.00 0.00 C ATOM 395 O GLU A 26 -6.051 -0.928 3.301 1.00 0.00 O ATOM 396 CB GLU A 26 -8.205 -3.316 4.312 1.00 0.00 C ATOM 397 CG GLU A 26 -9.512 -2.869 4.973 1.00 0.00 C ATOM 398 CD GLU A 26 -10.678 -3.094 4.010 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.747 -4.168 3.435 1.00 0.00 O ATOM 400 OE2 GLU A 26 -11.482 -2.189 3.864 1.00 0.00 O ATOM 0 H GLU A 26 -8.494 -4.223 2.104 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.477 -1.498 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.282 -4.358 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.385 -3.257 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.675 -3.428 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.451 -1.816 5.246 1.00 0.00 H new ATOM 407 N ALA A 27 -5.584 -3.004 2.709 1.00 0.00 N ATOM 408 CA ALA A 27 -4.116 -2.715 2.619 1.00 0.00 C ATOM 409 C ALA A 27 -3.877 -1.523 1.690 1.00 0.00 C ATOM 410 O ALA A 27 -3.158 -0.600 2.024 1.00 0.00 O ATOM 411 CB ALA A 27 -3.484 -3.977 2.031 1.00 0.00 C ATOM 0 H ALA A 27 -5.849 -3.964 2.489 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.689 -2.466 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.407 -3.835 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.682 -4.824 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.911 -4.173 1.048 1.00 0.00 H new ATOM 417 N GLU A 28 -4.495 -1.530 0.533 1.00 0.00 N ATOM 418 CA GLU A 28 -4.327 -0.387 -0.418 1.00 0.00 C ATOM 419 C GLU A 28 -4.769 0.908 0.264 1.00 0.00 C ATOM 420 O GLU A 28 -4.173 1.945 0.077 1.00 0.00 O ATOM 421 CB GLU A 28 -5.230 -0.705 -1.613 1.00 0.00 C ATOM 422 CG GLU A 28 -4.762 0.091 -2.837 1.00 0.00 C ATOM 423 CD GLU A 28 -5.898 0.169 -3.860 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.325 -0.876 -4.324 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.322 1.272 -4.162 1.00 0.00 O ATOM 0 H GLU A 28 -5.108 -2.277 0.207 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.292 -0.257 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.202 -1.773 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.264 -0.454 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.459 1.094 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.889 -0.386 -3.283 1.00 0.00 H new ATOM 432 N LYS A 29 -5.799 0.842 1.075 1.00 0.00 N ATOM 433 CA LYS A 29 -6.269 2.065 1.794 1.00 0.00 C ATOM 434 C LYS A 29 -5.236 2.451 2.854 1.00 0.00 C ATOM 435 O LYS A 29 -4.762 3.573 2.899 1.00 0.00 O ATOM 436 CB LYS A 29 -7.594 1.670 2.452 1.00 0.00 C ATOM 437 CG LYS A 29 -8.615 1.269 1.376 1.00 0.00 C ATOM 438 CD LYS A 29 -9.738 2.310 1.312 1.00 0.00 C ATOM 439 CE LYS A 29 -9.278 3.510 0.482 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.535 4.141 -0.007 1.00 0.00 N ATOM 0 H LYS A 29 -6.332 -0.006 1.268 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.398 2.919 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.435 0.841 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.980 2.503 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.123 1.191 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.030 0.287 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.631 1.869 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.007 2.632 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.694 4.206 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.644 3.197 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.303 4.973 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.066 3.456 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.115 4.435 0.805 1.00 0.00 H new ATOM 454 N ILE A 30 -4.863 1.512 3.694 1.00 0.00 N ATOM 455 CA ILE A 30 -3.836 1.801 4.746 1.00 0.00 C ATOM 456 C ILE A 30 -2.555 2.290 4.066 1.00 0.00 C ATOM 457 O ILE A 30 -1.880 3.181 4.548 1.00 0.00 O ATOM 458 CB ILE A 30 -3.594 0.466 5.459 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.897 -0.013 6.106 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.529 0.643 6.547 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.908 -1.543 6.170 1.00 0.00 C ATOM 0 H ILE A 30 -5.226 0.559 3.696 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.156 2.570 5.450 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.252 -0.269 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.991 0.403 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.752 0.343 5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.361 -0.309 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.598 0.982 6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.869 1.382 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.836 -1.881 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.834 -1.950 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.061 -1.888 6.763 1.00 0.00 H new ATOM 473 N PHE A 31 -2.239 1.717 2.936 1.00 0.00 N ATOM 474 CA PHE A 31 -1.025 2.143 2.190 1.00 0.00 C ATOM 475 C PHE A 31 -1.305 3.486 1.515 1.00 0.00 C ATOM 476 O PHE A 31 -0.446 4.341 1.430 1.00 0.00 O ATOM 477 CB PHE A 31 -0.787 1.045 1.148 1.00 0.00 C ATOM 478 CG PHE A 31 0.031 -0.068 1.758 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.241 0.220 2.400 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.420 -1.390 1.677 1.00 0.00 C ATOM 481 CE1 PHE A 31 2.000 -0.812 2.961 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.339 -2.424 2.239 1.00 0.00 C ATOM 483 CZ PHE A 31 1.549 -2.135 2.881 1.00 0.00 C ATOM 0 H PHE A 31 -2.774 0.968 2.497 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.153 2.272 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.741 0.655 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.269 1.458 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.589 1.241 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.353 -1.613 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.934 -0.588 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.009 -3.444 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.134 -2.932 3.314 1.00 0.00 H new ATOM 493 N LYS A 32 -2.514 3.674 1.039 1.00 0.00 N ATOM 494 CA LYS A 32 -2.875 4.957 0.371 1.00 0.00 C ATOM 495 C LYS A 32 -3.134 6.068 1.397 1.00 0.00 C ATOM 496 O LYS A 32 -3.435 7.189 1.030 1.00 0.00 O ATOM 497 CB LYS A 32 -4.142 4.670 -0.427 1.00 0.00 C ATOM 498 CG LYS A 32 -3.769 3.970 -1.735 1.00 0.00 C ATOM 499 CD LYS A 32 -5.040 3.512 -2.451 1.00 0.00 C ATOM 500 CE LYS A 32 -5.860 4.734 -2.873 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.792 4.227 -3.919 1.00 0.00 N ATOM 0 H LYS A 32 -3.267 2.988 1.087 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.062 5.305 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.817 4.043 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.672 5.599 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.204 4.648 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.126 3.114 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.782 2.915 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.631 2.875 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.405 5.155 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.219 5.524 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.579 4.688 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.676 3.198 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.772 4.440 -3.644 1.00 0.00 H new ATOM 515 N GLN A 33 -2.971 5.792 2.671 1.00 0.00 N ATOM 516 CA GLN A 33 -3.154 6.861 3.700 1.00 0.00 C ATOM 517 C GLN A 33 -1.751 7.212 4.152 1.00 0.00 C ATOM 518 O GLN A 33 -1.343 8.356 4.211 1.00 0.00 O ATOM 519 CB GLN A 33 -3.961 6.222 4.831 1.00 0.00 C ATOM 520 CG GLN A 33 -4.328 7.290 5.864 1.00 0.00 C ATOM 521 CD GLN A 33 -5.647 6.915 6.544 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.655 6.214 7.536 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.770 7.357 6.048 1.00 0.00 N ATOM 0 H GLN A 33 -2.720 4.875 3.039 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.671 7.756 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.865 5.761 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.381 5.429 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.536 7.378 6.608 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.420 8.262 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.763 7.946 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.655 7.114 6.493 1.00 0.00 H new ATOM 532 N TYR A 34 -0.999 6.181 4.395 1.00 0.00 N ATOM 533 CA TYR A 34 0.432 6.305 4.769 1.00 0.00 C ATOM 534 C TYR A 34 1.155 7.168 3.708 1.00 0.00 C ATOM 535 O TYR A 34 1.897 8.078 4.026 1.00 0.00 O ATOM 536 CB TYR A 34 0.873 4.830 4.726 1.00 0.00 C ATOM 537 CG TYR A 34 2.369 4.692 4.513 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.903 4.781 3.223 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.215 4.481 5.608 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.283 4.660 3.027 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.596 4.360 5.412 1.00 0.00 C ATOM 542 CZ TYR A 34 5.131 4.450 4.121 1.00 0.00 C ATOM 543 OH TYR A 34 6.492 4.334 3.928 1.00 0.00 O ATOM 0 H TYR A 34 -1.333 5.218 4.347 1.00 0.00 H new ATOM 0 HA TYR A 34 0.640 6.784 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.592 4.340 5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.343 4.316 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.250 4.943 2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.803 4.412 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.694 4.729 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.249 4.197 6.257 1.00 0.00 H new ATOM 0 HH TYR A 34 6.964 4.664 4.721 1.00 0.00 H new ATOM 553 N ALA A 35 0.920 6.879 2.449 1.00 0.00 N ATOM 554 CA ALA A 35 1.560 7.667 1.345 1.00 0.00 C ATOM 555 C ALA A 35 1.195 9.150 1.475 1.00 0.00 C ATOM 556 O ALA A 35 2.046 10.015 1.423 1.00 0.00 O ATOM 557 CB ALA A 35 0.973 7.096 0.050 1.00 0.00 C ATOM 0 H ALA A 35 0.308 6.125 2.136 1.00 0.00 H new ATOM 0 HA ALA A 35 2.647 7.595 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.395 7.624 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.215 6.036 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.110 7.221 0.055 1.00 0.00 H new ATOM 563 N ASN A 36 -0.072 9.441 1.640 1.00 0.00 N ATOM 564 CA ASN A 36 -0.513 10.867 1.772 1.00 0.00 C ATOM 565 C ASN A 36 0.193 11.544 2.950 1.00 0.00 C ATOM 566 O ASN A 36 0.756 12.614 2.813 1.00 0.00 O ATOM 567 CB ASN A 36 -2.019 10.802 2.024 1.00 0.00 C ATOM 568 CG ASN A 36 -2.764 10.768 0.687 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.663 11.553 0.461 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.427 9.886 -0.214 1.00 0.00 N ATOM 0 H ASN A 36 -0.822 8.752 1.689 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.271 11.448 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.262 9.915 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.338 11.666 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.918 9.856 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.672 9.227 -0.025 1.00 0.00 H new ATOM 577 N ASP A 37 0.167 10.928 4.105 1.00 0.00 N ATOM 578 CA ASP A 37 0.837 11.532 5.303 1.00 0.00 C ATOM 579 C ASP A 37 2.316 11.801 5.017 1.00 0.00 C ATOM 580 O ASP A 37 2.935 12.648 5.635 1.00 0.00 O ATOM 581 CB ASP A 37 0.690 10.495 6.417 1.00 0.00 C ATOM 582 CG ASP A 37 -0.743 10.520 6.952 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.145 11.553 7.463 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.414 9.508 6.842 1.00 0.00 O ATOM 0 H ASP A 37 -0.289 10.031 4.273 1.00 0.00 H new ATOM 0 HA ASP A 37 0.390 12.488 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.931 9.502 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.394 10.708 7.222 1.00 0.00 H new ATOM 589 N ASN A 38 2.881 11.080 4.091 1.00 0.00 N ATOM 590 CA ASN A 38 4.312 11.268 3.751 1.00 0.00 C ATOM 591 C ASN A 38 4.460 12.155 2.507 1.00 0.00 C ATOM 592 O ASN A 38 5.463 12.820 2.327 1.00 0.00 O ATOM 593 CB ASN A 38 4.839 9.859 3.478 1.00 0.00 C ATOM 594 CG ASN A 38 5.314 9.229 4.790 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.263 9.692 5.392 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.690 8.183 5.260 1.00 0.00 N ATOM 0 H ASN A 38 2.403 10.360 3.550 1.00 0.00 H new ATOM 0 HA ASN A 38 4.863 11.763 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.056 9.247 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.661 9.899 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.999 7.754 6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.894 7.795 4.755 1.00 0.00 H new ATOM 603 N GLY A 39 3.468 12.168 1.652 1.00 0.00 N ATOM 604 CA GLY A 39 3.544 13.009 0.418 1.00 0.00 C ATOM 605 C GLY A 39 3.770 12.108 -0.798 1.00 0.00 C ATOM 606 O GLY A 39 4.440 12.482 -1.742 1.00 0.00 O ATOM 0 H GLY A 39 2.607 11.631 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.623 13.579 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.356 13.731 0.506 1.00 0.00 H new ATOM 610 N ILE A 40 3.219 10.922 -0.776 1.00 0.00 N ATOM 611 CA ILE A 40 3.395 9.979 -1.918 1.00 0.00 C ATOM 612 C ILE A 40 2.156 10.032 -2.822 1.00 0.00 C ATOM 613 O ILE A 40 1.068 9.656 -2.428 1.00 0.00 O ATOM 614 CB ILE A 40 3.600 8.610 -1.230 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.091 8.410 -0.986 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.079 7.433 -2.065 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.551 9.398 0.077 1.00 0.00 C ATOM 0 H ILE A 40 2.650 10.565 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 40 4.233 10.210 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 40 3.032 8.624 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.287 7.388 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.649 8.563 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.252 6.501 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.011 7.557 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.604 7.404 -3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.617 9.265 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.367 10.415 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.999 9.222 1.000 1.00 0.00 H new ATOM 629 N ASP A 41 2.329 10.496 -4.028 1.00 0.00 N ATOM 630 CA ASP A 41 1.175 10.584 -4.978 1.00 0.00 C ATOM 631 C ASP A 41 1.663 10.612 -6.433 1.00 0.00 C ATOM 632 O ASP A 41 2.157 11.614 -6.915 1.00 0.00 O ATOM 633 CB ASP A 41 0.455 11.890 -4.620 1.00 0.00 C ATOM 634 CG ASP A 41 1.425 13.072 -4.728 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.191 13.271 -3.800 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.385 13.757 -5.737 1.00 0.00 O ATOM 0 H ASP A 41 3.221 10.820 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 41 0.516 9.720 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.392 12.042 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.055 11.829 -3.608 1.00 0.00 H new ATOM 641 N GLY A 42 1.526 9.513 -7.135 1.00 0.00 N ATOM 642 CA GLY A 42 1.975 9.461 -8.558 1.00 0.00 C ATOM 643 C GLY A 42 1.494 8.162 -9.212 1.00 0.00 C ATOM 644 O GLY A 42 0.967 8.172 -10.309 1.00 0.00 O ATOM 0 H GLY A 42 1.120 8.647 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.583 10.319 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.062 9.522 -8.607 1.00 0.00 H new ATOM 648 N GLU A 43 1.679 7.045 -8.552 1.00 0.00 N ATOM 649 CA GLU A 43 1.240 5.741 -9.143 1.00 0.00 C ATOM 650 C GLU A 43 0.672 4.819 -8.061 1.00 0.00 C ATOM 651 O GLU A 43 0.870 5.042 -6.887 1.00 0.00 O ATOM 652 CB GLU A 43 2.512 5.131 -9.736 1.00 0.00 C ATOM 653 CG GLU A 43 2.148 3.922 -10.598 1.00 0.00 C ATOM 654 CD GLU A 43 3.408 3.381 -11.278 1.00 0.00 C ATOM 655 OE1 GLU A 43 4.450 3.393 -10.645 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.309 2.966 -12.421 1.00 0.00 O ATOM 0 H GLU A 43 2.114 6.979 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 43 0.455 5.877 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.037 5.873 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.190 4.830 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.693 3.146 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.410 4.206 -11.349 1.00 0.00 H new ATOM 663 N TRP A 44 -0.021 3.781 -8.467 1.00 0.00 N ATOM 664 CA TRP A 44 -0.609 2.803 -7.492 1.00 0.00 C ATOM 665 C TRP A 44 -1.001 1.527 -8.235 1.00 0.00 C ATOM 666 O TRP A 44 -1.914 1.528 -9.041 1.00 0.00 O ATOM 667 CB TRP A 44 -1.871 3.462 -6.923 1.00 0.00 C ATOM 668 CG TRP A 44 -1.524 4.256 -5.717 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.446 5.605 -5.643 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.224 3.751 -4.399 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.079 5.954 -4.355 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.935 4.840 -3.549 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.168 2.453 -3.875 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.596 4.648 -2.214 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.828 2.253 -2.528 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.542 3.350 -1.701 1.00 0.00 C ATOM 0 H TRP A 44 -0.207 3.566 -9.447 1.00 0.00 H new ATOM 0 HA TRP A 44 0.100 2.549 -6.704 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.327 4.106 -7.675 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.607 2.700 -6.668 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.638 6.293 -6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.933 6.913 -4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.387 1.606 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.377 5.494 -1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.786 1.251 -2.127 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.280 3.190 -0.666 1.00 0.00 H new ATOM 687 N THR A 45 -0.325 0.441 -7.971 1.00 0.00 N ATOM 688 CA THR A 45 -0.667 -0.837 -8.666 1.00 0.00 C ATOM 689 C THR A 45 -0.630 -1.986 -7.674 1.00 0.00 C ATOM 690 O THR A 45 0.322 -2.142 -6.937 1.00 0.00 O ATOM 691 CB THR A 45 0.402 -1.051 -9.745 1.00 0.00 C ATOM 692 OG1 THR A 45 1.620 -1.449 -9.133 1.00 0.00 O ATOM 693 CG2 THR A 45 0.625 0.237 -10.536 1.00 0.00 C ATOM 0 H THR A 45 0.447 0.382 -7.307 1.00 0.00 H new ATOM 0 HA THR A 45 -1.665 -0.794 -9.102 1.00 0.00 H new ATOM 0 HB THR A 45 0.062 -1.829 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.510 -1.455 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.386 0.069 -11.298 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.307 0.536 -11.015 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.956 1.026 -9.861 1.00 0.00 H new ATOM 701 N TYR A 46 -1.652 -2.793 -7.659 1.00 0.00 N ATOM 702 CA TYR A 46 -1.678 -3.946 -6.717 1.00 0.00 C ATOM 703 C TYR A 46 -1.136 -5.200 -7.416 1.00 0.00 C ATOM 704 O TYR A 46 -1.371 -5.422 -8.588 1.00 0.00 O ATOM 705 CB TYR A 46 -3.153 -4.118 -6.319 1.00 0.00 C ATOM 706 CG TYR A 46 -3.320 -5.400 -5.527 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.547 -5.613 -4.381 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.226 -6.378 -5.954 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.681 -6.803 -3.658 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.358 -7.571 -5.231 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.586 -7.782 -4.083 1.00 0.00 C ATOM 712 OH TYR A 46 -3.717 -8.957 -3.371 1.00 0.00 O ATOM 0 H TYR A 46 -2.472 -2.704 -8.259 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.054 -3.782 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.481 -3.266 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.780 -4.145 -7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.847 -4.859 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.822 -6.213 -6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.086 -6.966 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.055 -8.327 -5.560 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.388 -9.527 -3.801 1.00 0.00 H new ATOM 722 N ASP A 47 -0.426 -6.021 -6.689 1.00 0.00 N ATOM 723 CA ASP A 47 0.127 -7.270 -7.282 1.00 0.00 C ATOM 724 C ASP A 47 -0.525 -8.484 -6.617 1.00 0.00 C ATOM 725 O ASP A 47 -0.131 -8.903 -5.544 1.00 0.00 O ATOM 726 CB ASP A 47 1.625 -7.230 -6.982 1.00 0.00 C ATOM 727 CG ASP A 47 2.329 -8.352 -7.746 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.785 -9.443 -7.791 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.400 -8.103 -8.273 1.00 0.00 O ATOM 0 H ASP A 47 -0.205 -5.878 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.063 -7.344 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.039 -6.264 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.795 -7.342 -5.911 1.00 0.00 H new ATOM 734 N ASP A 48 -1.521 -9.051 -7.251 1.00 0.00 N ATOM 735 CA ASP A 48 -2.215 -10.242 -6.668 1.00 0.00 C ATOM 736 C ASP A 48 -1.316 -11.491 -6.695 1.00 0.00 C ATOM 737 O ASP A 48 -1.680 -12.531 -6.178 1.00 0.00 O ATOM 738 CB ASP A 48 -3.457 -10.454 -7.543 1.00 0.00 C ATOM 739 CG ASP A 48 -3.037 -10.693 -8.996 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.391 -11.696 -9.248 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.370 -9.868 -9.831 1.00 0.00 O ATOM 0 H ASP A 48 -1.885 -8.739 -8.151 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.470 -10.077 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.030 -11.306 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.108 -9.582 -7.482 1.00 0.00 H new ATOM 746 N ALA A 49 -0.147 -11.399 -7.284 1.00 0.00 N ATOM 747 CA ALA A 49 0.770 -12.573 -7.336 1.00 0.00 C ATOM 748 C ALA A 49 1.713 -12.545 -6.132 1.00 0.00 C ATOM 749 O ALA A 49 2.168 -13.572 -5.667 1.00 0.00 O ATOM 750 CB ALA A 49 1.555 -12.405 -8.638 1.00 0.00 C ATOM 0 H ALA A 49 0.209 -10.555 -7.732 1.00 0.00 H new ATOM 0 HA ALA A 49 0.236 -13.523 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.255 -13.233 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.864 -12.397 -9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.106 -11.465 -8.612 1.00 0.00 H new ATOM 756 N THR A 50 1.993 -11.372 -5.618 1.00 0.00 N ATOM 757 CA THR A 50 2.890 -11.266 -4.433 1.00 0.00 C ATOM 758 C THR A 50 2.198 -10.473 -3.318 1.00 0.00 C ATOM 759 O THR A 50 2.805 -10.144 -2.318 1.00 0.00 O ATOM 760 CB THR A 50 4.125 -10.515 -4.935 1.00 0.00 C ATOM 761 OG1 THR A 50 3.730 -9.246 -5.442 1.00 0.00 O ATOM 762 CG2 THR A 50 4.799 -11.322 -6.045 1.00 0.00 C ATOM 0 H THR A 50 1.637 -10.484 -5.971 1.00 0.00 H new ATOM 0 HA THR A 50 3.146 -12.242 -4.020 1.00 0.00 H new ATOM 0 HB THR A 50 4.827 -10.377 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.519 -8.762 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.679 -10.786 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.100 -12.295 -5.656 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.100 -11.461 -6.870 1.00 0.00 H new ATOM 770 N LYS A 51 0.927 -10.153 -3.483 1.00 0.00 N ATOM 771 CA LYS A 51 0.193 -9.372 -2.435 1.00 0.00 C ATOM 772 C LYS A 51 0.953 -8.083 -2.107 1.00 0.00 C ATOM 773 O LYS A 51 1.076 -7.699 -0.959 1.00 0.00 O ATOM 774 CB LYS A 51 0.126 -10.287 -1.206 1.00 0.00 C ATOM 775 CG LYS A 51 -0.624 -11.576 -1.561 1.00 0.00 C ATOM 776 CD LYS A 51 -2.083 -11.462 -1.111 1.00 0.00 C ATOM 777 CE LYS A 51 -2.780 -12.813 -1.287 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.577 -13.522 0.007 1.00 0.00 N ATOM 0 H LYS A 51 0.371 -10.402 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.803 -9.080 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.133 -10.524 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.379 -9.775 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.577 -11.752 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.149 -12.430 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.129 -11.150 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.596 -10.698 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.840 -12.685 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.350 -13.374 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.028 -14.458 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.559 -13.636 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.003 -12.968 0.777 1.00 0.00 H new ATOM 792 N THR A 52 1.471 -7.423 -3.112 1.00 0.00 N ATOM 793 CA THR A 52 2.234 -6.159 -2.868 1.00 0.00 C ATOM 794 C THR A 52 1.771 -5.052 -3.822 1.00 0.00 C ATOM 795 O THR A 52 1.569 -5.283 -5.000 1.00 0.00 O ATOM 796 CB THR A 52 3.695 -6.524 -3.139 1.00 0.00 C ATOM 797 OG1 THR A 52 3.995 -7.762 -2.512 1.00 0.00 O ATOM 798 CG2 THR A 52 4.608 -5.431 -2.582 1.00 0.00 C ATOM 0 H THR A 52 1.399 -7.704 -4.090 1.00 0.00 H new ATOM 0 HA THR A 52 2.084 -5.780 -1.857 1.00 0.00 H new ATOM 0 HB THR A 52 3.855 -6.613 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.852 -8.494 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.648 -5.692 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.376 -4.482 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.451 -5.339 -1.507 1.00 0.00 H new ATOM 806 N PHE A 53 1.608 -3.850 -3.321 1.00 0.00 N ATOM 807 CA PHE A 53 1.165 -2.722 -4.197 1.00 0.00 C ATOM 808 C PHE A 53 2.393 -1.989 -4.758 1.00 0.00 C ATOM 809 O PHE A 53 3.513 -2.429 -4.570 1.00 0.00 O ATOM 810 CB PHE A 53 0.344 -1.804 -3.284 1.00 0.00 C ATOM 811 CG PHE A 53 -0.948 -2.491 -2.898 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.943 -3.484 -1.907 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.150 -2.137 -3.526 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.140 -4.120 -1.544 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.343 -2.776 -3.162 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.337 -3.765 -2.173 1.00 0.00 C ATOM 0 H PHE A 53 1.763 -3.603 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 53 0.578 -3.059 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.917 -1.557 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.129 -0.865 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.017 -3.759 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.157 -1.373 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.137 -4.883 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.269 -2.504 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.258 -4.255 -1.895 1.00 0.00 H new ATOM 826 N THR A 54 2.205 -0.876 -5.436 1.00 0.00 N ATOM 827 CA THR A 54 3.375 -0.135 -5.992 1.00 0.00 C ATOM 828 C THR A 54 2.985 1.324 -6.161 1.00 0.00 C ATOM 829 O THR A 54 2.254 1.677 -7.069 1.00 0.00 O ATOM 830 CB THR A 54 3.684 -0.772 -7.355 1.00 0.00 C ATOM 831 OG1 THR A 54 3.252 -2.129 -7.373 1.00 0.00 O ATOM 832 CG2 THR A 54 5.190 -0.717 -7.614 1.00 0.00 C ATOM 0 H THR A 54 1.295 -0.456 -5.624 1.00 0.00 H new ATOM 0 HA THR A 54 4.248 -0.186 -5.341 1.00 0.00 H new ATOM 0 HB THR A 54 3.155 -0.219 -8.132 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.912 -2.352 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.410 -1.169 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.521 0.321 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.714 -1.264 -6.830 1.00 0.00 H new ATOM 840 N VAL A 55 3.439 2.169 -5.279 1.00 0.00 N ATOM 841 CA VAL A 55 3.063 3.607 -5.370 1.00 0.00 C ATOM 842 C VAL A 55 4.294 4.488 -5.568 1.00 0.00 C ATOM 843 O VAL A 55 5.391 4.150 -5.171 1.00 0.00 O ATOM 844 CB VAL A 55 2.350 3.919 -4.045 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.266 3.582 -2.869 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.974 5.405 -3.983 1.00 0.00 C ATOM 0 H VAL A 55 4.053 1.927 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 55 2.420 3.807 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 55 1.444 3.316 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.754 3.806 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.521 2.523 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.177 4.177 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.469 5.614 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.877 6.012 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.308 5.647 -4.812 1.00 0.00 H new ATOM 856 N THR A 56 4.103 5.623 -6.187 1.00 0.00 N ATOM 857 CA THR A 56 5.242 6.553 -6.430 1.00 0.00 C ATOM 858 C THR A 56 4.722 7.984 -6.603 1.00 0.00 C ATOM 859 O THR A 56 3.606 8.294 -6.235 1.00 0.00 O ATOM 860 CB THR A 56 5.921 6.019 -7.705 1.00 0.00 C ATOM 861 OG1 THR A 56 7.223 6.578 -7.814 1.00 0.00 O ATOM 862 CG2 THR A 56 5.110 6.364 -8.961 1.00 0.00 C ATOM 0 H THR A 56 3.201 5.947 -6.536 1.00 0.00 H new ATOM 0 HA THR A 56 5.948 6.592 -5.601 1.00 0.00 H new ATOM 0 HB THR A 56 5.981 4.933 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.583 6.396 -8.707 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.619 5.972 -9.842 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.118 5.919 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.017 7.447 -9.048 1.00 0.00 H new ATOM 870 N GLU A 57 5.525 8.845 -7.161 1.00 0.00 N ATOM 871 CA GLU A 57 5.087 10.256 -7.369 1.00 0.00 C ATOM 872 C GLU A 57 5.335 10.674 -8.821 1.00 0.00 C ATOM 873 O GLU A 57 6.205 10.089 -9.444 1.00 0.00 O ATOM 874 CB GLU A 57 5.945 11.089 -6.414 1.00 0.00 C ATOM 875 CG GLU A 57 5.536 12.561 -6.504 1.00 0.00 C ATOM 876 CD GLU A 57 6.313 13.242 -7.632 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.532 13.248 -7.566 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.676 13.746 -8.543 1.00 0.00 O ATOM 879 OXT GLU A 57 4.651 11.572 -9.284 1.00 0.00 O ATOM 0 H GLU A 57 6.469 8.633 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 57 4.023 10.390 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.823 10.729 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.000 10.978 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.464 12.640 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.735 13.063 -5.557 1.00 0.00 H new