USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 422 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 Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -110:sc= -1.75 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 37 GLN : amide:sc= -3.84! C(o=-3.8!,f=-3.7!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0049) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.093 1.781 9.405 1.00 0.00 N ATOM 60 CA GLY A 7 8.542 2.992 8.826 1.00 0.00 C ATOM 61 C GLY A 7 7.072 2.854 8.482 1.00 0.00 C ATOM 62 O GLY A 7 6.368 1.992 9.008 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.672 3.817 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.100 3.247 7.925 1.00 0.00 H new ATOM 66 N PRO A 8 6.588 3.720 7.580 1.00 0.00 N ATOM 67 CA PRO A 8 5.187 3.712 7.147 1.00 0.00 C ATOM 68 C PRO A 8 4.849 2.490 6.300 1.00 0.00 C ATOM 69 O PRO A 8 5.309 2.363 5.165 1.00 0.00 O ATOM 70 CB PRO A 8 5.066 4.990 6.314 1.00 0.00 C ATOM 71 CG PRO A 8 6.448 5.258 5.827 1.00 0.00 C ATOM 72 CD PRO A 8 7.370 4.775 6.912 1.00 0.00 C ATOM 0 HA PRO A 8 4.500 3.671 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.373 4.857 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.690 5.819 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.640 4.735 4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.595 6.321 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.303 4.386 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.634 5.577 7.601 1.00 0.00 H new ATOM 80 N CYS A 9 4.044 1.594 6.858 1.00 0.00 N ATOM 81 CA CYS A 9 3.644 0.380 6.154 1.00 0.00 C ATOM 82 C CYS A 9 2.165 0.084 6.377 1.00 0.00 C ATOM 83 O CYS A 9 1.558 0.581 7.326 1.00 0.00 O ATOM 84 CB CYS A 9 4.490 -0.806 6.618 1.00 0.00 C ATOM 85 SG CYS A 9 4.319 -1.191 8.377 1.00 0.00 S ATOM 0 H CYS A 9 3.655 1.685 7.796 1.00 0.00 H new ATOM 0 HA CYS A 9 3.807 0.538 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.214 -1.685 6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.538 -0.597 6.403 1.00 0.00 H new ATOM 0 HG CYS A 9 5.071 -2.209 8.673 1.00 0.00 H new ATOM 91 N CYS A 10 1.590 -0.726 5.495 1.00 0.00 N ATOM 92 CA CYS A 10 0.180 -1.087 5.594 1.00 0.00 C ATOM 93 C CYS A 10 0.015 -2.595 5.754 1.00 0.00 C ATOM 94 O CYS A 10 0.936 -3.363 5.478 1.00 0.00 O ATOM 95 CB CYS A 10 -0.578 -0.607 4.355 1.00 0.00 C ATOM 96 SG CYS A 10 -0.146 -1.490 2.837 1.00 0.00 S ATOM 0 H CYS A 10 2.078 -1.145 4.703 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.234 -0.599 6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.648 -0.714 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.383 0.456 4.212 1.00 0.00 H new ATOM 0 HG CYS A 10 0.515 -0.697 2.047 1.00 0.00 H new ATOM 102 N ARG A 11 -1.165 -3.011 6.204 1.00 0.00 N ATOM 103 CA ARG A 11 -1.450 -4.426 6.405 1.00 0.00 C ATOM 104 C ARG A 11 -2.507 -4.913 5.417 1.00 0.00 C ATOM 105 O ARG A 11 -3.549 -4.281 5.247 1.00 0.00 O ATOM 106 CB ARG A 11 -1.923 -4.675 7.838 1.00 0.00 C ATOM 107 CG ARG A 11 -1.873 -6.137 8.251 1.00 0.00 C ATOM 108 CD ARG A 11 -0.530 -6.497 8.866 1.00 0.00 C ATOM 109 NE ARG A 11 -0.453 -6.117 10.274 1.00 0.00 N ATOM 110 CZ ARG A 11 -1.170 -6.695 11.232 1.00 0.00 C ATOM 111 NH1 ARG A 11 -2.012 -7.675 10.934 1.00 0.00 N ATOM 112 NH2 ARG A 11 -1.045 -6.293 12.490 1.00 0.00 N ATOM 0 H ARG A 11 -1.938 -2.388 6.436 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.530 -4.984 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.306 -4.092 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.945 -4.312 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.669 -6.341 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.057 -6.768 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.364 -7.570 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.267 -6.000 8.312 1.00 0.00 H new ATOM 0 HE ARG A 11 0.186 -5.367 10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.110 -7.987 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.561 -8.117 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.398 -5.540 12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.596 -6.737 13.225 1.00 0.00 H new ATOM 126 N ALA A 12 -2.230 -6.040 4.770 1.00 0.00 N ATOM 127 CA ALA A 12 -3.156 -6.612 3.801 1.00 0.00 C ATOM 128 C ALA A 12 -4.210 -7.472 4.491 1.00 0.00 C ATOM 129 O ALA A 12 -3.890 -8.290 5.355 1.00 0.00 O ATOM 130 CB ALA A 12 -2.399 -7.430 2.766 1.00 0.00 C ATOM 0 H ALA A 12 -1.371 -6.575 4.900 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.667 -5.792 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.104 -7.851 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.689 -6.789 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.861 -8.237 3.263 1.00 0.00 H new ATOM 136 N LEU A 13 -5.466 -7.283 4.105 1.00 0.00 N ATOM 137 CA LEU A 13 -6.568 -8.042 4.687 1.00 0.00 C ATOM 138 C LEU A 13 -7.052 -9.124 3.726 1.00 0.00 C ATOM 139 O LEU A 13 -7.481 -10.198 4.149 1.00 0.00 O ATOM 140 CB LEU A 13 -7.725 -7.107 5.044 1.00 0.00 C ATOM 141 CG LEU A 13 -7.422 -6.035 6.091 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.272 -4.797 5.849 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.655 -6.577 7.494 1.00 0.00 C ATOM 0 H LEU A 13 -5.748 -6.611 3.391 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.205 -8.524 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.060 -6.612 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.558 -7.712 5.403 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.373 -5.754 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.043 -4.045 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.056 -4.395 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.327 -5.063 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.434 -5.800 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.695 -6.887 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.003 -7.433 7.666 1.00 0.00 H new ATOM 155 N TYR A 14 -6.978 -8.834 2.432 1.00 0.00 N ATOM 156 CA TYR A 14 -7.408 -9.782 1.411 1.00 0.00 C ATOM 157 C TYR A 14 -6.350 -9.927 0.322 1.00 0.00 C ATOM 158 O TYR A 14 -5.328 -9.240 0.338 1.00 0.00 O ATOM 159 CB TYR A 14 -8.733 -9.332 0.793 1.00 0.00 C ATOM 160 CG TYR A 14 -9.888 -9.335 1.769 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.100 -8.264 2.628 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.766 -10.410 1.833 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.154 -8.263 3.522 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.823 -10.417 2.722 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.013 -9.341 3.565 1.00 0.00 C ATOM 166 OH TYR A 14 -13.063 -9.345 4.453 1.00 0.00 O ATOM 0 H TYR A 14 -6.624 -7.950 2.065 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.548 -10.752 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.613 -8.327 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.974 -9.986 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.430 -7.418 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.619 -11.255 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.304 -7.422 4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.497 -11.260 2.757 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.572 -10.177 4.354 1.00 0.00 H new ATOM 176 N ASP A 15 -6.603 -10.825 -0.624 1.00 0.00 N ATOM 177 CA ASP A 15 -5.674 -11.061 -1.723 1.00 0.00 C ATOM 178 C ASP A 15 -6.139 -10.349 -2.989 1.00 0.00 C ATOM 179 O ASP A 15 -7.271 -10.532 -3.437 1.00 0.00 O ATOM 180 CB ASP A 15 -5.534 -12.561 -1.988 1.00 0.00 C ATOM 181 CG ASP A 15 -4.252 -12.902 -2.721 1.00 0.00 C ATOM 182 OD1 ASP A 15 -3.200 -13.009 -2.058 1.00 0.00 O ATOM 183 OD2 ASP A 15 -4.300 -13.061 -3.959 1.00 0.00 O ATOM 0 H ASP A 15 -7.444 -11.402 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.702 -10.659 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.561 -13.099 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.387 -12.905 -2.574 1.00 0.00 H new ATOM 188 N PHE A 16 -5.258 -9.535 -3.562 1.00 0.00 N ATOM 189 CA PHE A 16 -5.579 -8.794 -4.776 1.00 0.00 C ATOM 190 C PHE A 16 -4.612 -9.149 -5.902 1.00 0.00 C ATOM 191 O PHE A 16 -3.498 -9.611 -5.654 1.00 0.00 O ATOM 192 CB PHE A 16 -5.534 -7.288 -4.506 1.00 0.00 C ATOM 193 CG PHE A 16 -5.744 -6.453 -5.736 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.022 -6.207 -6.213 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.664 -5.912 -6.415 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.217 -5.439 -7.346 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.854 -5.142 -7.548 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.132 -4.905 -8.013 1.00 0.00 C ATOM 0 H PHE A 16 -4.317 -9.372 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.587 -9.071 -5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.298 -7.036 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.570 -7.035 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.875 -6.620 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.662 -6.094 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.218 -5.257 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.004 -4.727 -8.068 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.283 -4.303 -8.897 1.00 0.00 H new ATOM 208 N GLU A 17 -5.047 -8.930 -7.139 1.00 0.00 N ATOM 209 CA GLU A 17 -4.221 -9.229 -8.303 1.00 0.00 C ATOM 210 C GLU A 17 -4.256 -8.078 -9.305 1.00 0.00 C ATOM 211 O GLU A 17 -5.278 -7.419 -9.495 1.00 0.00 O ATOM 212 CB GLU A 17 -4.694 -10.520 -8.974 1.00 0.00 C ATOM 213 CG GLU A 17 -4.125 -11.779 -8.342 1.00 0.00 C ATOM 214 CD GLU A 17 -4.989 -12.307 -7.214 1.00 0.00 C ATOM 215 OE1 GLU A 17 -5.507 -11.487 -6.428 1.00 0.00 O ATOM 216 OE2 GLU A 17 -5.149 -13.542 -7.119 1.00 0.00 O ATOM 0 H GLU A 17 -5.966 -8.547 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.194 -9.361 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.782 -10.563 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.416 -10.495 -10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.021 -12.549 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.125 -11.570 -7.962 1.00 0.00 H new ATOM 223 N PRO A 18 -3.114 -7.831 -9.962 1.00 0.00 N ATOM 224 CA PRO A 18 -2.987 -6.760 -10.955 1.00 0.00 C ATOM 225 C PRO A 18 -3.770 -7.057 -12.230 1.00 0.00 C ATOM 226 O PRO A 18 -3.418 -7.959 -12.989 1.00 0.00 O ATOM 227 CB PRO A 18 -1.485 -6.722 -11.247 1.00 0.00 C ATOM 228 CG PRO A 18 -1.002 -8.094 -10.924 1.00 0.00 C ATOM 229 CD PRO A 18 -1.856 -8.577 -9.785 1.00 0.00 C ATOM 0 HA PRO A 18 -3.387 -5.815 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.291 -6.469 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.982 -5.971 -10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.094 -8.753 -11.787 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.051 -8.081 -10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.017 -9.654 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.396 -8.366 -8.820 1.00 0.00 H new ATOM 288 N GLU A 23 0.111 -2.050 -12.057 1.00 0.00 N ATOM 289 CA GLU A 23 -0.479 -2.387 -10.767 1.00 0.00 C ATOM 290 C GLU A 23 0.441 -3.306 -9.970 1.00 0.00 C ATOM 291 O GLU A 23 1.429 -3.821 -10.495 1.00 0.00 O ATOM 292 CB GLU A 23 -1.841 -3.056 -10.963 1.00 0.00 C ATOM 293 CG GLU A 23 -2.945 -2.088 -11.355 1.00 0.00 C ATOM 294 CD GLU A 23 -3.533 -1.361 -10.161 1.00 0.00 C ATOM 295 OE1 GLU A 23 -3.889 -2.034 -9.172 1.00 0.00 O ATOM 296 OE2 GLU A 23 -3.638 -0.117 -10.218 1.00 0.00 O ATOM 0 HA GLU A 23 -0.614 -1.462 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.752 -3.823 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.124 -3.562 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.550 -1.358 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.736 -2.634 -11.869 1.00 0.00 H new ATOM 303 N LEU A 24 0.111 -3.507 -8.699 1.00 0.00 N ATOM 304 CA LEU A 24 0.908 -4.364 -7.828 1.00 0.00 C ATOM 305 C LEU A 24 0.017 -5.323 -7.044 1.00 0.00 C ATOM 306 O LEU A 24 -0.880 -4.899 -6.316 1.00 0.00 O ATOM 307 CB LEU A 24 1.736 -3.515 -6.862 1.00 0.00 C ATOM 308 CG LEU A 24 2.576 -4.284 -5.842 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.850 -4.808 -6.487 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.905 -3.401 -4.647 1.00 0.00 C ATOM 0 H LEU A 24 -0.703 -3.088 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 24 1.580 -4.951 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.402 -2.881 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.060 -2.853 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 24 1.995 -5.136 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.435 -5.353 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.593 -5.476 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.435 -3.971 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.503 -3.965 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.467 -2.529 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.981 -3.075 -4.170 1.00 0.00 H new ATOM 322 N GLY A 25 0.272 -6.619 -7.197 1.00 0.00 N ATOM 323 CA GLY A 25 -0.514 -7.617 -6.496 1.00 0.00 C ATOM 324 C GLY A 25 0.011 -7.894 -5.101 1.00 0.00 C ATOM 325 O GLY A 25 1.188 -8.208 -4.924 1.00 0.00 O ATOM 0 H GLY A 25 1.009 -6.995 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.549 -7.280 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.516 -8.543 -7.071 1.00 0.00 H new ATOM 329 N PHE A 26 -0.863 -7.775 -4.107 1.00 0.00 N ATOM 330 CA PHE A 26 -0.481 -8.012 -2.720 1.00 0.00 C ATOM 331 C PHE A 26 -1.134 -9.283 -2.185 1.00 0.00 C ATOM 332 O PHE A 26 -1.959 -9.901 -2.858 1.00 0.00 O ATOM 333 CB PHE A 26 -0.875 -6.817 -1.849 1.00 0.00 C ATOM 334 CG PHE A 26 -2.328 -6.452 -1.954 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.310 -7.346 -1.560 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.711 -5.215 -2.446 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.649 -7.013 -1.655 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.047 -4.876 -2.543 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.017 -5.777 -2.148 1.00 0.00 C ATOM 0 H PHE A 26 -1.841 -7.516 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 26 0.601 -8.138 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.639 -7.042 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.271 -5.956 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.027 -8.314 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.957 -4.507 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.405 -7.719 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.333 -3.908 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.062 -5.515 -2.225 1.00 0.00 H new ATOM 349 N LYS A 27 -0.758 -9.668 -0.970 1.00 0.00 N ATOM 350 CA LYS A 27 -1.306 -10.864 -0.342 1.00 0.00 C ATOM 351 C LYS A 27 -1.785 -10.564 1.075 1.00 0.00 C ATOM 352 O LYS A 27 -1.242 -9.691 1.751 1.00 0.00 O ATOM 353 CB LYS A 27 -0.255 -11.976 -0.312 1.00 0.00 C ATOM 354 CG LYS A 27 -0.043 -12.649 -1.657 1.00 0.00 C ATOM 355 CD LYS A 27 0.374 -14.101 -1.494 1.00 0.00 C ATOM 356 CE LYS A 27 0.605 -14.769 -2.841 1.00 0.00 C ATOM 357 NZ LYS A 27 1.967 -14.489 -3.374 1.00 0.00 N ATOM 0 H LYS A 27 -0.075 -9.168 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.160 -11.195 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.693 -11.560 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.555 -12.728 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.962 -12.597 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.721 -12.111 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.286 -14.154 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.397 -14.643 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.469 -15.846 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.142 -14.419 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.084 -14.962 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.088 -13.463 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.681 -14.846 -2.707 1.00 0.00 H new ATOM 371 N GLU A 28 -2.805 -11.294 1.517 1.00 0.00 N ATOM 372 CA GLU A 28 -3.355 -11.105 2.854 1.00 0.00 C ATOM 373 C GLU A 28 -2.281 -11.308 3.918 1.00 0.00 C ATOM 374 O GLU A 28 -1.728 -12.398 4.058 1.00 0.00 O ATOM 375 CB GLU A 28 -4.515 -12.074 3.093 1.00 0.00 C ATOM 376 CG GLU A 28 -5.012 -12.085 4.529 1.00 0.00 C ATOM 377 CD GLU A 28 -6.126 -13.089 4.753 1.00 0.00 C ATOM 378 OE1 GLU A 28 -7.300 -12.736 4.518 1.00 0.00 O ATOM 379 OE2 GLU A 28 -5.823 -14.229 5.164 1.00 0.00 O ATOM 0 H GLU A 28 -3.266 -12.020 0.969 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.724 -10.082 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.341 -11.808 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.199 -13.081 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.181 -12.315 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.367 -11.089 4.794 1.00 0.00 H new ATOM 386 N GLY A 29 -1.990 -10.248 4.667 1.00 0.00 N ATOM 387 CA GLY A 29 -0.983 -10.329 5.708 1.00 0.00 C ATOM 388 C GLY A 29 0.328 -9.688 5.298 1.00 0.00 C ATOM 389 O GLY A 29 1.023 -9.097 6.125 1.00 0.00 O ATOM 0 H GLY A 29 -2.434 -9.335 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.356 -9.842 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.809 -11.375 5.960 1.00 0.00 H new ATOM 393 N ASP A 30 0.668 -9.805 4.019 1.00 0.00 N ATOM 394 CA ASP A 30 1.905 -9.233 3.501 1.00 0.00 C ATOM 395 C ASP A 30 1.943 -7.725 3.727 1.00 0.00 C ATOM 396 O ASP A 30 0.993 -7.014 3.396 1.00 0.00 O ATOM 397 CB ASP A 30 2.049 -9.541 2.010 1.00 0.00 C ATOM 398 CG ASP A 30 2.759 -10.856 1.756 1.00 0.00 C ATOM 399 OD1 ASP A 30 2.401 -11.860 2.408 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.673 -10.882 0.906 1.00 0.00 O ATOM 0 H ASP A 30 0.104 -10.291 3.322 1.00 0.00 H new ATOM 0 HA ASP A 30 2.738 -9.684 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.061 -9.571 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.601 -8.734 1.527 1.00 0.00 H new ATOM 405 N ILE A 31 3.044 -7.244 4.295 1.00 0.00 N ATOM 406 CA ILE A 31 3.204 -5.821 4.565 1.00 0.00 C ATOM 407 C ILE A 31 3.785 -5.094 3.357 1.00 0.00 C ATOM 408 O ILE A 31 4.902 -5.382 2.925 1.00 0.00 O ATOM 409 CB ILE A 31 4.115 -5.579 5.783 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.796 -6.581 6.894 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.957 -4.152 6.288 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.571 -6.216 7.703 1.00 0.00 C ATOM 0 H ILE A 31 3.838 -7.819 4.577 1.00 0.00 H new ATOM 0 HA ILE A 31 2.211 -5.427 4.780 1.00 0.00 H new ATOM 0 HB ILE A 31 5.151 -5.723 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.649 -7.567 6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.654 -6.656 7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.607 -3.997 7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.230 -3.454 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.921 -3.982 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.405 -6.970 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.722 -5.245 8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.702 -6.170 7.047 1.00 0.00 H new ATOM 424 N ILE A 32 3.022 -4.149 2.819 1.00 0.00 N ATOM 425 CA ILE A 32 3.462 -3.379 1.662 1.00 0.00 C ATOM 426 C ILE A 32 4.055 -2.040 2.088 1.00 0.00 C ATOM 427 O ILE A 32 3.362 -1.190 2.649 1.00 0.00 O ATOM 428 CB ILE A 32 2.304 -3.125 0.680 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.592 -4.438 0.347 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.820 -2.460 -0.587 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.451 -4.762 1.285 1.00 0.00 C ATOM 0 H ILE A 32 2.096 -3.898 3.166 1.00 0.00 H new ATOM 0 HA ILE A 32 4.228 -3.971 1.161 1.00 0.00 H new ATOM 0 HB ILE A 32 1.587 -2.454 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.210 -4.386 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.317 -5.252 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.989 -2.287 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.286 -1.508 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.555 -3.108 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.007 -5.706 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.830 -4.847 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.294 -3.967 1.240 1.00 0.00 H new ATOM 443 N THR A 33 5.344 -1.855 1.815 1.00 0.00 N ATOM 444 CA THR A 33 6.031 -0.620 2.169 1.00 0.00 C ATOM 445 C THR A 33 5.380 0.583 1.495 1.00 0.00 C ATOM 446 O THR A 33 4.687 0.443 0.486 1.00 0.00 O ATOM 447 CB THR A 33 7.519 -0.672 1.775 1.00 0.00 C ATOM 448 OG1 THR A 33 8.114 -1.878 2.267 1.00 0.00 O ATOM 449 CG2 THR A 33 8.267 0.531 2.328 1.00 0.00 C ATOM 0 H THR A 33 5.932 -2.546 1.350 1.00 0.00 H new ATOM 0 HA THR A 33 5.953 -0.514 3.251 1.00 0.00 H new ATOM 0 HB THR A 33 7.585 -0.652 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.060 -1.904 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.316 0.473 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.830 1.446 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.192 0.538 3.415 1.00 0.00 H new ATOM 457 N LEU A 34 5.608 1.765 2.056 1.00 0.00 N ATOM 458 CA LEU A 34 5.045 2.994 1.509 1.00 0.00 C ATOM 459 C LEU A 34 6.125 4.056 1.330 1.00 0.00 C ATOM 460 O LEU A 34 6.962 4.261 2.210 1.00 0.00 O ATOM 461 CB LEU A 34 3.939 3.524 2.424 1.00 0.00 C ATOM 462 CG LEU A 34 2.783 2.564 2.704 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.108 2.911 4.023 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.776 2.594 1.564 1.00 0.00 C ATOM 0 H LEU A 34 6.179 1.898 2.890 1.00 0.00 H new ATOM 0 HA LEU A 34 4.621 2.766 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.388 3.808 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.531 4.432 1.980 1.00 0.00 H new ATOM 0 HG LEU A 34 3.186 1.554 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.288 2.217 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.833 2.837 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.719 3.928 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.960 1.904 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.379 3.603 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.266 2.296 0.637 1.00 0.00 H new ATOM 476 N THR A 35 6.099 4.732 0.185 1.00 0.00 N ATOM 477 CA THR A 35 7.075 5.774 -0.109 1.00 0.00 C ATOM 478 C THR A 35 6.388 7.064 -0.543 1.00 0.00 C ATOM 479 O THR A 35 6.816 8.158 -0.179 1.00 0.00 O ATOM 480 CB THR A 35 8.055 5.331 -1.212 1.00 0.00 C ATOM 481 OG1 THR A 35 8.783 6.462 -1.704 1.00 0.00 O ATOM 482 CG2 THR A 35 7.312 4.662 -2.359 1.00 0.00 C ATOM 0 H THR A 35 5.413 4.576 -0.553 1.00 0.00 H new ATOM 0 HA THR A 35 7.632 5.954 0.810 1.00 0.00 H new ATOM 0 HB THR A 35 8.751 4.611 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.405 6.172 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.024 4.358 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.783 3.785 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.596 5.364 -2.787 1.00 0.00 H new ATOM 490 N ASN A 36 5.320 6.927 -1.322 1.00 0.00 N ATOM 491 CA ASN A 36 4.574 8.082 -1.806 1.00 0.00 C ATOM 492 C ASN A 36 3.177 7.674 -2.265 1.00 0.00 C ATOM 493 O ASN A 36 2.864 6.487 -2.352 1.00 0.00 O ATOM 494 CB ASN A 36 5.324 8.755 -2.957 1.00 0.00 C ATOM 495 CG ASN A 36 6.436 9.664 -2.469 1.00 0.00 C ATOM 496 OD1 ASN A 36 7.597 9.498 -2.842 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.084 10.631 -1.630 1.00 0.00 N ATOM 0 H ASN A 36 4.952 6.027 -1.631 1.00 0.00 H new ATOM 0 HA ASN A 36 4.475 8.790 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.744 7.990 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.621 9.334 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.789 11.273 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.109 10.731 -1.348 1.00 0.00 H new ATOM 504 N GLN A 37 2.343 8.667 -2.557 1.00 0.00 N ATOM 505 CA GLN A 37 0.979 8.411 -3.007 1.00 0.00 C ATOM 506 C GLN A 37 0.674 9.183 -4.286 1.00 0.00 C ATOM 507 O GLN A 37 1.050 10.348 -4.424 1.00 0.00 O ATOM 508 CB GLN A 37 -0.021 8.794 -1.915 1.00 0.00 C ATOM 509 CG GLN A 37 -1.471 8.722 -2.365 1.00 0.00 C ATOM 510 CD GLN A 37 -2.372 9.658 -1.584 1.00 0.00 C ATOM 511 OE1 GLN A 37 -1.998 10.792 -1.286 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.567 9.186 -1.249 1.00 0.00 N ATOM 0 H GLN A 37 2.587 9.655 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 37 0.886 7.345 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.118 8.134 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.195 9.807 -1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.531 8.967 -3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.832 7.699 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.835 8.239 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.217 9.770 -0.723 1.00 0.00 H new ATOM 521 N ILE A 38 -0.008 8.527 -5.218 1.00 0.00 N ATOM 522 CA ILE A 38 -0.364 9.153 -6.486 1.00 0.00 C ATOM 523 C ILE A 38 -1.838 9.541 -6.512 1.00 0.00 C ATOM 524 O ILE A 38 -2.192 10.648 -6.919 1.00 0.00 O ATOM 525 CB ILE A 38 -0.069 8.222 -7.676 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.437 7.982 -7.803 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.626 8.813 -8.962 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.926 6.783 -7.021 1.00 0.00 C ATOM 0 H ILE A 38 -0.325 7.563 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 38 0.248 10.051 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.557 7.264 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.688 7.846 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.968 8.870 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.409 8.143 -9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.705 8.938 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.164 9.783 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.002 6.674 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.707 6.925 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.422 5.885 -7.379 1.00 0.00 H new ATOM 540 N ASP A 39 -2.694 8.624 -6.075 1.00 0.00 N ATOM 541 CA ASP A 39 -4.131 8.871 -6.046 1.00 0.00 C ATOM 542 C ASP A 39 -4.611 9.115 -4.618 1.00 0.00 C ATOM 543 O ASP A 39 -3.809 9.185 -3.688 1.00 0.00 O ATOM 544 CB ASP A 39 -4.886 7.689 -6.656 1.00 0.00 C ATOM 545 CG ASP A 39 -4.294 7.245 -7.980 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.252 8.070 -8.917 1.00 0.00 O ATOM 547 OD2 ASP A 39 -3.873 6.074 -8.078 1.00 0.00 O ATOM 0 H ASP A 39 -2.418 7.703 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.333 9.765 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.872 6.853 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.930 7.965 -6.803 1.00 0.00 H new ATOM 552 N GLU A 40 -5.924 9.245 -4.455 1.00 0.00 N ATOM 553 CA GLU A 40 -6.510 9.483 -3.141 1.00 0.00 C ATOM 554 C GLU A 40 -6.890 8.167 -2.468 1.00 0.00 C ATOM 555 O GLU A 40 -7.199 8.133 -1.278 1.00 0.00 O ATOM 556 CB GLU A 40 -7.743 10.381 -3.263 1.00 0.00 C ATOM 557 CG GLU A 40 -8.556 10.129 -4.522 1.00 0.00 C ATOM 558 CD GLU A 40 -9.944 10.737 -4.451 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.769 10.242 -3.656 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.204 11.709 -5.191 1.00 0.00 O ATOM 0 H GLU A 40 -6.601 9.190 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.764 9.984 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.381 10.229 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.426 11.424 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.026 10.541 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.642 9.055 -4.686 1.00 0.00 H new ATOM 567 N ASN A 41 -6.865 7.085 -3.240 1.00 0.00 N ATOM 568 CA ASN A 41 -7.207 5.767 -2.720 1.00 0.00 C ATOM 569 C ASN A 41 -6.125 4.748 -3.065 1.00 0.00 C ATOM 570 O ASN A 41 -6.227 3.574 -2.708 1.00 0.00 O ATOM 571 CB ASN A 41 -8.554 5.308 -3.282 1.00 0.00 C ATOM 572 CG ASN A 41 -9.724 5.789 -2.445 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.106 5.149 -1.465 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.299 6.923 -2.829 1.00 0.00 N ATOM 0 H ASN A 41 -6.611 7.096 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.279 5.840 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.664 5.677 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.571 4.219 -3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.090 7.296 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.949 7.420 -3.648 1.00 0.00 H new ATOM 581 N TRP A 42 -5.091 5.205 -3.761 1.00 0.00 N ATOM 582 CA TRP A 42 -3.989 4.333 -4.154 1.00 0.00 C ATOM 583 C TRP A 42 -2.675 4.807 -3.543 1.00 0.00 C ATOM 584 O TRP A 42 -2.398 6.006 -3.496 1.00 0.00 O ATOM 585 CB TRP A 42 -3.869 4.285 -5.678 1.00 0.00 C ATOM 586 CG TRP A 42 -5.122 3.821 -6.358 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.244 4.560 -6.601 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.379 2.513 -6.880 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.184 3.790 -7.243 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.677 2.530 -7.427 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.638 1.329 -6.942 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.248 1.410 -8.024 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.207 0.218 -7.535 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.500 0.265 -8.070 1.00 0.00 C ATOM 0 H TRP A 42 -4.992 6.174 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.200 3.331 -3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.610 5.278 -6.046 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.049 3.620 -5.950 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.374 5.597 -6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.109 4.105 -7.535 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.639 1.284 -6.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.246 1.443 -8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.645 -0.703 -7.587 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.915 -0.620 -8.528 1.00 0.00 H new ATOM 605 N TYR A 43 -1.870 3.860 -3.076 1.00 0.00 N ATOM 606 CA TYR A 43 -0.585 4.181 -2.466 1.00 0.00 C ATOM 607 C TYR A 43 0.567 3.618 -3.292 1.00 0.00 C ATOM 608 O TYR A 43 0.390 2.672 -4.058 1.00 0.00 O ATOM 609 CB TYR A 43 -0.522 3.630 -1.040 1.00 0.00 C ATOM 610 CG TYR A 43 -1.377 4.397 -0.056 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.385 5.786 -0.047 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.177 3.731 0.864 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.164 6.490 0.850 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.961 4.427 1.765 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.950 5.806 1.754 1.00 0.00 C ATOM 616 OH TYR A 43 -3.729 6.504 2.649 1.00 0.00 O ATOM 0 H TYR A 43 -2.084 2.863 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.488 5.266 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.839 2.587 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.513 3.646 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.771 6.325 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.187 2.651 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.158 7.570 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.578 3.894 2.473 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.222 5.874 3.215 1.00 0.00 H new ATOM 626 N GLU A 44 1.747 4.208 -3.129 1.00 0.00 N ATOM 627 CA GLU A 44 2.929 3.766 -3.860 1.00 0.00 C ATOM 628 C GLU A 44 3.940 3.117 -2.919 1.00 0.00 C ATOM 629 O GLU A 44 4.313 3.693 -1.898 1.00 0.00 O ATOM 630 CB GLU A 44 3.577 4.945 -4.587 1.00 0.00 C ATOM 631 CG GLU A 44 4.440 4.533 -5.768 1.00 0.00 C ATOM 632 CD GLU A 44 5.512 5.554 -6.093 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.224 6.494 -6.864 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.640 5.415 -5.575 1.00 0.00 O ATOM 0 H GLU A 44 1.910 4.993 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 44 2.614 3.025 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.795 5.619 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.188 5.506 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.911 3.574 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.806 4.387 -6.643 1.00 0.00 H new ATOM 641 N GLY A 45 4.378 1.911 -3.270 1.00 0.00 N ATOM 642 CA GLY A 45 5.340 1.203 -2.447 1.00 0.00 C ATOM 643 C GLY A 45 6.209 0.258 -3.253 1.00 0.00 C ATOM 644 O GLY A 45 6.123 0.221 -4.480 1.00 0.00 O ATOM 0 H GLY A 45 4.083 1.412 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.974 1.925 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.811 0.639 -1.679 1.00 0.00 H new ATOM 648 N MET A 46 7.049 -0.506 -2.562 1.00 0.00 N ATOM 649 CA MET A 46 7.937 -1.455 -3.223 1.00 0.00 C ATOM 650 C MET A 46 7.662 -2.878 -2.749 1.00 0.00 C ATOM 651 O MET A 46 7.771 -3.179 -1.559 1.00 0.00 O ATOM 652 CB MET A 46 9.399 -1.089 -2.956 1.00 0.00 C ATOM 653 CG MET A 46 9.988 -0.146 -3.992 1.00 0.00 C ATOM 654 SD MET A 46 11.589 0.519 -3.495 1.00 0.00 S ATOM 655 CE MET A 46 11.080 1.864 -2.428 1.00 0.00 C ATOM 0 H MET A 46 7.133 -0.486 -1.546 1.00 0.00 H new ATOM 0 HA MET A 46 7.748 -1.406 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.476 -0.628 -1.971 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.994 -2.002 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.097 -0.675 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.295 0.677 -4.164 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.962 2.375 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.472 2.569 -2.996 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.496 1.468 -1.597 1.00 0.00 H new ATOM 665 N LEU A 47 7.305 -3.751 -3.685 1.00 0.00 N ATOM 666 CA LEU A 47 7.014 -5.143 -3.362 1.00 0.00 C ATOM 667 C LEU A 47 7.539 -6.075 -4.450 1.00 0.00 C ATOM 668 O LEU A 47 7.188 -5.938 -5.622 1.00 0.00 O ATOM 669 CB LEU A 47 5.508 -5.343 -3.187 1.00 0.00 C ATOM 670 CG LEU A 47 5.080 -6.621 -2.465 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.432 -6.543 -0.988 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.588 -6.862 -2.647 1.00 0.00 C ATOM 0 H LEU A 47 7.210 -3.519 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 47 7.517 -5.386 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.110 -4.489 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.044 -5.334 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 47 5.620 -7.461 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.120 -7.461 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.509 -6.418 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.920 -5.694 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.301 -7.776 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.031 -6.020 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.363 -6.963 -3.709 1.00 0.00 H new ATOM 684 N HIS A 48 8.380 -7.025 -4.053 1.00 0.00 N ATOM 685 CA HIS A 48 8.950 -7.983 -4.994 1.00 0.00 C ATOM 686 C HIS A 48 9.780 -7.270 -6.058 1.00 0.00 C ATOM 687 O HIS A 48 9.792 -7.671 -7.221 1.00 0.00 O ATOM 688 CB HIS A 48 7.842 -8.801 -5.657 1.00 0.00 C ATOM 689 CG HIS A 48 7.464 -10.030 -4.890 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.195 -11.198 -4.932 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.425 -10.269 -4.056 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.621 -12.103 -4.159 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.545 -11.563 -3.615 1.00 0.00 N ATOM 0 H HIS A 48 8.682 -7.152 -3.087 1.00 0.00 H new ATOM 0 HA HIS A 48 9.603 -8.656 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.960 -8.172 -5.777 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.165 -9.092 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.646 -9.571 -3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.972 -13.112 -3.999 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.907 -12.032 -2.972 1.00 0.00 H new ATOM 702 N GLY A 49 10.471 -6.210 -5.651 1.00 0.00 N ATOM 703 CA GLY A 49 11.293 -5.458 -6.582 1.00 0.00 C ATOM 704 C GLY A 49 10.471 -4.758 -7.645 1.00 0.00 C ATOM 705 O GLY A 49 10.996 -4.364 -8.687 1.00 0.00 O ATOM 0 H GLY A 49 10.477 -5.858 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.876 -4.719 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.003 -6.132 -7.061 1.00 0.00 H new ATOM 709 N HIS A 50 9.177 -4.603 -7.384 1.00 0.00 N ATOM 710 CA HIS A 50 8.280 -3.945 -8.328 1.00 0.00 C ATOM 711 C HIS A 50 7.554 -2.778 -7.666 1.00 0.00 C ATOM 712 O HIS A 50 6.953 -2.932 -6.602 1.00 0.00 O ATOM 713 CB HIS A 50 7.264 -4.946 -8.880 1.00 0.00 C ATOM 714 CG HIS A 50 7.886 -6.056 -9.670 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.625 -5.844 -10.814 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.875 -7.396 -9.474 1.00 0.00 C ATOM 717 CE1 HIS A 50 9.042 -7.004 -11.288 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.601 -7.962 -10.493 1.00 0.00 N ATOM 0 H HIS A 50 8.726 -4.924 -6.527 1.00 0.00 H new ATOM 0 HA HIS A 50 8.880 -3.556 -9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.700 -5.373 -8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.551 -4.417 -9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.386 -7.921 -8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.642 -7.145 -12.175 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.772 -8.960 -10.616 1.00 0.00 H new ATOM 727 N SER A 51 7.615 -1.612 -8.300 1.00 0.00 N ATOM 728 CA SER A 51 6.967 -0.418 -7.770 1.00 0.00 C ATOM 729 C SER A 51 5.645 -0.155 -8.483 1.00 0.00 C ATOM 730 O SER A 51 5.621 0.184 -9.666 1.00 0.00 O ATOM 731 CB SER A 51 7.888 0.795 -7.916 1.00 0.00 C ATOM 732 OG SER A 51 7.240 1.981 -7.491 1.00 0.00 O ATOM 0 H SER A 51 8.107 -1.468 -9.182 1.00 0.00 H new ATOM 0 HA SER A 51 6.762 -0.585 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.793 0.641 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.197 0.898 -8.956 1.00 0.00 H new ATOM 0 HG SER A 51 7.850 2.741 -7.593 1.00 0.00 H new ATOM 738 N GLY A 52 4.544 -0.316 -7.754 1.00 0.00 N ATOM 739 CA GLY A 52 3.232 -0.092 -8.333 1.00 0.00 C ATOM 740 C GLY A 52 2.247 0.480 -7.333 1.00 0.00 C ATOM 741 O GLY A 52 2.574 0.654 -6.159 1.00 0.00 O ATOM 0 H GLY A 52 4.538 -0.597 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.323 0.589 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.844 -1.033 -8.722 1.00 0.00 H new ATOM 745 N PHE A 53 1.038 0.774 -7.798 1.00 0.00 N ATOM 746 CA PHE A 53 0.002 1.333 -6.936 1.00 0.00 C ATOM 747 C PHE A 53 -1.046 0.279 -6.593 1.00 0.00 C ATOM 748 O PHE A 53 -1.455 -0.508 -7.447 1.00 0.00 O ATOM 749 CB PHE A 53 -0.665 2.530 -7.615 1.00 0.00 C ATOM 750 CG PHE A 53 0.248 3.278 -8.545 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.587 3.448 -8.233 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.233 3.811 -9.730 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.429 4.136 -9.086 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.604 4.500 -10.587 1.00 0.00 C ATOM 755 CZ PHE A 53 1.937 4.662 -10.265 1.00 0.00 C ATOM 0 H PHE A 53 0.751 0.635 -8.767 1.00 0.00 H new ATOM 0 HA PHE A 53 0.474 1.666 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.534 2.183 -8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.031 3.214 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.977 3.038 -7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.275 3.687 -9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.471 4.262 -8.831 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.216 4.911 -11.507 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.594 5.199 -10.934 1.00 0.00 H new ATOM 765 N PHE A 54 -1.477 0.269 -5.336 1.00 0.00 N ATOM 766 CA PHE A 54 -2.477 -0.688 -4.877 1.00 0.00 C ATOM 767 C PHE A 54 -3.608 0.019 -4.137 1.00 0.00 C ATOM 768 O PHE A 54 -3.437 1.104 -3.581 1.00 0.00 O ATOM 769 CB PHE A 54 -1.831 -1.735 -3.966 1.00 0.00 C ATOM 770 CG PHE A 54 -0.890 -1.149 -2.953 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.340 -0.643 -3.342 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.234 -1.105 -1.612 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.209 -0.103 -2.413 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.370 -0.565 -0.678 1.00 0.00 C ATOM 775 CZ PHE A 54 0.853 -0.065 -1.079 1.00 0.00 C ATOM 0 H PHE A 54 -1.149 0.913 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.895 -1.186 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.615 -2.286 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.289 -2.455 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.623 -0.671 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.188 -1.497 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.165 0.288 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.651 -0.534 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.530 0.355 -0.350 1.00 0.00 H new ATOM 785 N PRO A 55 -4.793 -0.610 -4.129 1.00 0.00 N ATOM 786 CA PRO A 55 -5.976 -0.060 -3.461 1.00 0.00 C ATOM 787 C PRO A 55 -5.845 -0.079 -1.942 1.00 0.00 C ATOM 788 O PRO A 55 -5.137 -0.916 -1.381 1.00 0.00 O ATOM 789 CB PRO A 55 -7.103 -0.992 -3.912 1.00 0.00 C ATOM 790 CG PRO A 55 -6.425 -2.277 -4.238 1.00 0.00 C ATOM 791 CD PRO A 55 -5.069 -1.906 -4.771 1.00 0.00 C ATOM 0 HA PRO A 55 -6.140 0.986 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.845 -1.125 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.626 -0.589 -4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.337 -2.907 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.994 -2.842 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.317 -2.651 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.073 -1.823 -5.858 1.00 0.00 H new ATOM 799 N ILE A 56 -6.533 0.847 -1.281 1.00 0.00 N ATOM 800 CA ILE A 56 -6.494 0.934 0.173 1.00 0.00 C ATOM 801 C ILE A 56 -7.676 0.203 0.799 1.00 0.00 C ATOM 802 O ILE A 56 -7.647 -0.150 1.977 1.00 0.00 O ATOM 803 CB ILE A 56 -6.500 2.399 0.649 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.273 3.138 0.110 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.537 2.462 2.169 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.384 4.643 0.205 1.00 0.00 C ATOM 0 H ILE A 56 -7.124 1.547 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.566 0.460 0.493 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.394 2.888 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.391 2.811 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.119 2.858 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.541 3.504 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.438 1.967 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.659 1.960 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.479 5.101 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.246 4.981 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.507 4.934 1.248 1.00 0.00 H new ATOM 818 N ASN A 57 -8.716 -0.022 0.002 1.00 0.00 N ATOM 819 CA ASN A 57 -9.909 -0.713 0.478 1.00 0.00 C ATOM 820 C ASN A 57 -9.595 -2.165 0.822 1.00 0.00 C ATOM 821 O ASN A 57 -10.452 -2.894 1.323 1.00 0.00 O ATOM 822 CB ASN A 57 -11.013 -0.655 -0.580 1.00 0.00 C ATOM 823 CG ASN A 57 -11.864 0.595 -0.459 1.00 0.00 C ATOM 824 OD1 ASN A 57 -11.351 1.687 -0.213 1.00 0.00 O ATOM 825 ND2 ASN A 57 -13.171 0.439 -0.632 1.00 0.00 N ATOM 0 H ASN A 57 -8.757 0.264 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.254 -0.210 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.564 -0.691 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.649 -1.535 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.794 1.243 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.552 -0.485 -0.834 1.00 0.00 H new ATOM 832 N TYR A 58 -8.362 -2.579 0.552 1.00 0.00 N ATOM 833 CA TYR A 58 -7.935 -3.945 0.831 1.00 0.00 C ATOM 834 C TYR A 58 -6.880 -3.971 1.933 1.00 0.00 C ATOM 835 O TYR A 58 -6.826 -4.904 2.735 1.00 0.00 O ATOM 836 CB TYR A 58 -7.382 -4.598 -0.436 1.00 0.00 C ATOM 837 CG TYR A 58 -8.445 -5.228 -1.307 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.340 -6.153 -0.785 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.555 -4.897 -2.652 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.313 -6.732 -1.577 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.526 -5.469 -3.451 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.402 -6.386 -2.909 1.00 0.00 C ATOM 843 OH TYR A 58 -11.370 -6.959 -3.702 1.00 0.00 O ATOM 0 H TYR A 58 -7.640 -1.988 0.140 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.804 -4.508 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.846 -3.847 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.656 -5.361 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.274 -6.424 0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.870 -4.180 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.000 -7.451 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.599 -5.200 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.297 -6.607 -4.614 1.00 0.00 H new ATOM 853 N VAL A 59 -6.043 -2.939 1.966 1.00 0.00 N ATOM 854 CA VAL A 59 -4.990 -2.842 2.970 1.00 0.00 C ATOM 855 C VAL A 59 -5.259 -1.697 3.940 1.00 0.00 C ATOM 856 O VAL A 59 -5.769 -0.647 3.549 1.00 0.00 O ATOM 857 CB VAL A 59 -3.610 -2.633 2.318 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.409 -3.611 1.171 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.460 -1.198 1.837 1.00 0.00 C ATOM 0 H VAL A 59 -6.074 -2.159 1.310 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.987 -3.785 3.517 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.841 -2.824 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.429 -3.449 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.471 -4.632 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.183 -3.454 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.479 -1.068 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.235 -0.977 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.558 -0.518 2.684 1.00 0.00 H new ATOM 869 N GLU A 60 -4.913 -1.907 5.206 1.00 0.00 N ATOM 870 CA GLU A 60 -5.119 -0.891 6.232 1.00 0.00 C ATOM 871 C GLU A 60 -3.820 -0.148 6.529 1.00 0.00 C ATOM 872 O GLU A 60 -2.734 -0.725 6.467 1.00 0.00 O ATOM 873 CB GLU A 60 -5.658 -1.530 7.513 1.00 0.00 C ATOM 874 CG GLU A 60 -6.504 -0.589 8.354 1.00 0.00 C ATOM 875 CD GLU A 60 -5.678 0.477 9.046 1.00 0.00 C ATOM 876 OE1 GLU A 60 -4.606 0.139 9.589 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.104 1.651 9.044 1.00 0.00 O ATOM 0 H GLU A 60 -4.489 -2.770 5.546 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.850 -0.175 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.254 -2.404 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.820 -1.885 8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.249 -0.110 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.047 -1.166 9.103 1.00 0.00 H new ATOM 884 N ILE A 61 -3.940 1.136 6.851 1.00 0.00 N ATOM 885 CA ILE A 61 -2.776 1.958 7.159 1.00 0.00 C ATOM 886 C ILE A 61 -2.556 2.059 8.664 1.00 0.00 C ATOM 887 O ILE A 61 -3.292 2.754 9.365 1.00 0.00 O ATOM 888 CB ILE A 61 -2.920 3.377 6.576 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.010 3.319 5.050 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.751 4.248 7.011 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.823 2.644 4.400 1.00 0.00 C ATOM 0 H ILE A 61 -4.831 1.629 6.905 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.915 1.471 6.701 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.840 3.820 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.919 2.788 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.099 4.333 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.866 5.247 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.729 4.311 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.819 3.810 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.955 2.639 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.912 3.187 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.745 1.618 4.761 1.00 0.00 H new ATOM 903 N LEU A 62 -1.538 1.361 9.155 1.00 0.00 N ATOM 904 CA LEU A 62 -1.218 1.373 10.578 1.00 0.00 C ATOM 905 C LEU A 62 -0.465 2.644 10.957 1.00 0.00 C ATOM 906 O LEU A 62 -0.720 3.241 12.003 1.00 0.00 O ATOM 907 CB LEU A 62 -0.384 0.144 10.944 1.00 0.00 C ATOM 908 CG LEU A 62 -0.854 -1.186 10.355 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.243 -2.234 10.457 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.117 -1.664 11.058 1.00 0.00 C ATOM 0 H LEU A 62 -0.920 0.780 8.589 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.154 1.348 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.643 0.318 10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.367 0.052 12.030 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.084 -1.032 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.111 -3.174 10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.122 -1.896 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.506 -2.385 11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.437 -2.612 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.913 -1.800 12.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.906 -0.923 10.932 1.00 0.00 H new ATOM 922 N VAL A 63 0.463 3.054 10.098 1.00 0.00 N ATOM 923 CA VAL A 63 1.251 4.257 10.341 1.00 0.00 C ATOM 924 C VAL A 63 0.993 5.309 9.268 1.00 0.00 C ATOM 925 O VAL A 63 1.287 5.096 8.092 1.00 0.00 O ATOM 926 CB VAL A 63 2.758 3.941 10.382 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.575 5.219 10.270 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.109 3.184 11.654 1.00 0.00 C ATOM 0 H VAL A 63 0.688 2.571 9.228 1.00 0.00 H new ATOM 0 HA VAL A 63 0.942 4.648 11.311 1.00 0.00 H new ATOM 0 HB VAL A 63 3.002 3.307 9.530 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.637 4.976 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.344 5.717 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.330 5.881 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.178 2.969 11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.851 3.791 12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.550 2.249 11.687 1.00 0.00 H new ATOM 938 N ALA A 64 0.441 6.445 9.682 1.00 0.00 N ATOM 939 CA ALA A 64 0.145 7.532 8.757 1.00 0.00 C ATOM 940 C ALA A 64 1.421 8.074 8.121 1.00 0.00 C ATOM 941 O ALA A 64 2.338 8.509 8.819 1.00 0.00 O ATOM 942 CB ALA A 64 -0.605 8.645 9.473 1.00 0.00 C ATOM 0 H ALA A 64 0.190 6.636 10.652 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.487 7.137 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.819 9.450 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.540 8.254 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.007 9.029 10.289 1.00 0.00 H new ATOM 948 N LEU A 65 1.473 8.046 6.794 1.00 0.00 N ATOM 949 CA LEU A 65 2.638 8.535 6.064 1.00 0.00 C ATOM 950 C LEU A 65 3.078 9.897 6.591 1.00 0.00 C ATOM 951 O LEU A 65 2.311 10.624 7.223 1.00 0.00 O ATOM 952 CB LEU A 65 2.324 8.630 4.570 1.00 0.00 C ATOM 953 CG LEU A 65 2.502 7.343 3.764 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.578 7.338 2.556 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.951 7.182 3.329 1.00 0.00 C ATOM 0 H LEU A 65 0.723 7.690 6.202 1.00 0.00 H new ATOM 0 HA LEU A 65 3.454 7.828 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.294 8.967 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.961 9.399 4.133 1.00 0.00 H new ATOM 0 HG LEU A 65 2.239 6.499 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.719 6.415 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.543 7.406 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.810 8.190 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.059 6.261 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.241 8.030 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.593 7.139 4.209 1.00 0.00 H new ATOM 967 N PRO A 66 4.343 10.254 6.324 1.00 0.00 N ATOM 968 CA PRO A 66 4.913 11.533 6.759 1.00 0.00 C ATOM 969 C PRO A 66 4.316 12.719 6.010 1.00 0.00 C ATOM 970 O PRO A 66 4.477 13.869 6.419 1.00 0.00 O ATOM 971 CB PRO A 66 6.401 11.387 6.431 1.00 0.00 C ATOM 972 CG PRO A 66 6.450 10.391 5.325 1.00 0.00 C ATOM 973 CD PRO A 66 5.314 9.438 5.575 1.00 0.00 C ATOM 0 HA PRO A 66 4.712 11.732 7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.834 12.339 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.966 11.044 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.344 10.879 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.405 9.866 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.890 9.064 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.637 8.570 6.149 1.00 0.00 H new