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 -37:sc= -1.47 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 -70:sc= 0.901 USER MOD Single : A 36 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.64) USER MOD Single : A 37 GLN : amide:sc= -1.49! X(o=-1.5!,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 165: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=-0.08) USER MOD Single : A 50 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.032) USER MOD Single : A 51 SER OG : rot 42:sc= 0.302 USER MOD Single : A 57 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.18) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.161 2.572 9.427 1.00 0.00 N ATOM 60 CA GLY A 7 8.569 3.469 8.452 1.00 0.00 C ATOM 61 C GLY A 7 7.096 3.191 8.227 1.00 0.00 C ATOM 62 O GLY A 7 6.527 2.254 8.787 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.694 4.499 8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.102 3.375 7.506 1.00 0.00 H new ATOM 66 N PRO A 8 6.454 4.019 7.390 1.00 0.00 N ATOM 67 CA PRO A 8 5.030 3.878 7.074 1.00 0.00 C ATOM 68 C PRO A 8 4.743 2.643 6.228 1.00 0.00 C ATOM 69 O PRO A 8 5.172 2.554 5.077 1.00 0.00 O ATOM 70 CB PRO A 8 4.713 5.152 6.286 1.00 0.00 C ATOM 71 CG PRO A 8 6.016 5.564 5.694 1.00 0.00 C ATOM 72 CD PRO A 8 7.070 5.157 6.687 1.00 0.00 C ATOM 0 HA PRO A 8 4.424 3.754 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.968 4.964 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.309 5.929 6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.178 5.078 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.041 6.639 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.998 4.870 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.312 5.969 7.372 1.00 0.00 H new ATOM 80 N CYS A 9 4.016 1.692 6.804 1.00 0.00 N ATOM 81 CA CYS A 9 3.672 0.461 6.101 1.00 0.00 C ATOM 82 C CYS A 9 2.202 0.111 6.306 1.00 0.00 C ATOM 83 O CYS A 9 1.506 0.746 7.099 1.00 0.00 O ATOM 84 CB CYS A 9 4.555 -0.690 6.586 1.00 0.00 C ATOM 85 SG CYS A 9 4.275 -1.161 8.309 1.00 0.00 S ATOM 0 H CYS A 9 3.653 1.750 7.756 1.00 0.00 H new ATOM 0 HA CYS A 9 3.844 0.619 5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.382 -1.559 5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.601 -0.408 6.463 1.00 0.00 H new ATOM 0 HG CYS A 9 5.066 -2.143 8.625 1.00 0.00 H new ATOM 91 N CYS A 10 1.735 -0.902 5.584 1.00 0.00 N ATOM 92 CA CYS A 10 0.346 -1.335 5.684 1.00 0.00 C ATOM 93 C CYS A 10 0.215 -2.821 5.364 1.00 0.00 C ATOM 94 O CYS A 10 1.029 -3.381 4.629 1.00 0.00 O ATOM 95 CB CYS A 10 -0.535 -0.518 4.737 1.00 0.00 C ATOM 96 SG CYS A 10 -0.156 -0.758 2.985 1.00 0.00 S ATOM 0 H CYS A 10 2.298 -1.438 4.924 1.00 0.00 H new ATOM 0 HA CYS A 10 0.014 -1.172 6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.578 -0.781 4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.428 0.539 4.979 1.00 0.00 H new ATOM 0 HG CYS A 10 1.128 -0.893 2.833 1.00 0.00 H new ATOM 102 N ARG A 11 -0.813 -3.453 5.921 1.00 0.00 N ATOM 103 CA ARG A 11 -1.048 -4.874 5.698 1.00 0.00 C ATOM 104 C ARG A 11 -2.313 -5.093 4.873 1.00 0.00 C ATOM 105 O ARG A 11 -3.263 -4.315 4.958 1.00 0.00 O ATOM 106 CB ARG A 11 -1.164 -5.610 7.034 1.00 0.00 C ATOM 107 CG ARG A 11 -2.568 -5.599 7.615 1.00 0.00 C ATOM 108 CD ARG A 11 -2.569 -6.015 9.078 1.00 0.00 C ATOM 109 NE ARG A 11 -3.742 -5.513 9.789 1.00 0.00 N ATOM 110 CZ ARG A 11 -4.074 -5.893 11.018 1.00 0.00 C ATOM 111 NH1 ARG A 11 -3.326 -6.773 11.669 1.00 0.00 N ATOM 112 NH2 ARG A 11 -5.156 -5.391 11.599 1.00 0.00 N ATOM 0 H ARG A 11 -1.496 -3.003 6.530 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.199 -5.274 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.844 -6.643 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.480 -5.155 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.995 -4.601 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.205 -6.274 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.542 -7.103 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.666 -5.643 9.561 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.339 -4.834 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.493 -7.160 11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.584 -7.063 12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.734 -4.713 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.410 -5.683 12.543 1.00 0.00 H new ATOM 126 N ALA A 12 -2.317 -6.156 4.076 1.00 0.00 N ATOM 127 CA ALA A 12 -3.465 -6.478 3.237 1.00 0.00 C ATOM 128 C ALA A 12 -4.437 -7.398 3.967 1.00 0.00 C ATOM 129 O ALA A 12 -4.029 -8.376 4.596 1.00 0.00 O ATOM 130 CB ALA A 12 -3.005 -7.117 1.936 1.00 0.00 C ATOM 0 H ALA A 12 -1.538 -6.809 3.993 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.988 -5.550 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.873 -7.352 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.356 -6.424 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.456 -8.033 2.155 1.00 0.00 H new ATOM 136 N LEU A 13 -5.724 -7.081 3.880 1.00 0.00 N ATOM 137 CA LEU A 13 -6.755 -7.880 4.533 1.00 0.00 C ATOM 138 C LEU A 13 -7.142 -9.078 3.673 1.00 0.00 C ATOM 139 O LEU A 13 -7.497 -10.138 4.190 1.00 0.00 O ATOM 140 CB LEU A 13 -7.989 -7.022 4.817 1.00 0.00 C ATOM 141 CG LEU A 13 -7.793 -5.866 5.799 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.922 -4.856 5.668 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.705 -6.388 7.226 1.00 0.00 C ATOM 0 H LEU A 13 -6.079 -6.276 3.364 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.351 -8.249 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.347 -6.613 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.776 -7.670 5.203 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.856 -5.365 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.765 -4.041 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.938 -4.458 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.873 -5.344 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.566 -5.552 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.626 -6.914 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.861 -7.072 7.312 1.00 0.00 H new ATOM 155 N TYR A 14 -7.067 -8.905 2.358 1.00 0.00 N ATOM 156 CA TYR A 14 -7.410 -9.972 1.426 1.00 0.00 C ATOM 157 C TYR A 14 -6.378 -10.069 0.306 1.00 0.00 C ATOM 158 O TYR A 14 -5.424 -9.292 0.257 1.00 0.00 O ATOM 159 CB TYR A 14 -8.800 -9.735 0.834 1.00 0.00 C ATOM 160 CG TYR A 14 -9.923 -9.945 1.824 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.126 -9.057 2.874 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.781 -11.032 1.711 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.150 -9.246 3.781 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.809 -11.228 2.613 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.989 -10.332 3.646 1.00 0.00 C ATOM 166 OH TYR A 14 -13.011 -10.524 4.548 1.00 0.00 O ATOM 0 H TYR A 14 -6.772 -8.036 1.914 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.413 -10.913 1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.853 -8.717 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.944 -10.405 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.472 -8.205 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.642 -11.736 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.293 -8.547 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.468 -12.078 2.510 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.509 -11.334 4.310 1.00 0.00 H new ATOM 176 N ASP A 15 -6.578 -11.026 -0.593 1.00 0.00 N ATOM 177 CA ASP A 15 -5.667 -11.225 -1.714 1.00 0.00 C ATOM 178 C ASP A 15 -6.110 -10.409 -2.925 1.00 0.00 C ATOM 179 O ASP A 15 -7.305 -10.251 -3.177 1.00 0.00 O ATOM 180 CB ASP A 15 -5.593 -12.708 -2.082 1.00 0.00 C ATOM 181 CG ASP A 15 -5.342 -13.592 -0.876 1.00 0.00 C ATOM 182 OD1 ASP A 15 -4.818 -13.081 0.136 1.00 0.00 O ATOM 183 OD2 ASP A 15 -5.671 -14.794 -0.944 1.00 0.00 O ATOM 0 H ASP A 15 -7.363 -11.676 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.677 -10.884 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.525 -13.008 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.797 -12.859 -2.811 1.00 0.00 H new ATOM 188 N PHE A 16 -5.139 -9.892 -3.671 1.00 0.00 N ATOM 189 CA PHE A 16 -5.429 -9.091 -4.854 1.00 0.00 C ATOM 190 C PHE A 16 -4.412 -9.365 -5.959 1.00 0.00 C ATOM 191 O PHE A 16 -3.215 -9.480 -5.700 1.00 0.00 O ATOM 192 CB PHE A 16 -5.426 -7.602 -4.501 1.00 0.00 C ATOM 193 CG PHE A 16 -5.427 -6.701 -5.703 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.336 -6.896 -6.730 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.520 -5.659 -5.805 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.339 -6.068 -7.837 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.518 -4.828 -6.909 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.430 -5.033 -7.926 1.00 0.00 C ATOM 0 H PHE A 16 -4.145 -10.014 -3.477 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.418 -9.369 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.301 -7.380 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.548 -7.383 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.050 -7.704 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.806 -5.494 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.052 -6.231 -8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.805 -4.020 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.432 -4.384 -8.790 1.00 0.00 H new ATOM 208 N GLU A 17 -4.900 -9.470 -7.191 1.00 0.00 N ATOM 209 CA GLU A 17 -4.035 -9.732 -8.335 1.00 0.00 C ATOM 210 C GLU A 17 -4.190 -8.646 -9.395 1.00 0.00 C ATOM 211 O GLU A 17 -5.295 -8.202 -9.708 1.00 0.00 O ATOM 212 CB GLU A 17 -4.353 -11.101 -8.940 1.00 0.00 C ATOM 213 CG GLU A 17 -5.839 -11.418 -8.980 1.00 0.00 C ATOM 214 CD GLU A 17 -6.367 -11.903 -7.644 1.00 0.00 C ATOM 215 OE1 GLU A 17 -5.769 -12.838 -7.072 1.00 0.00 O ATOM 216 OE2 GLU A 17 -7.380 -11.346 -7.170 1.00 0.00 O ATOM 0 H GLU A 17 -5.889 -9.378 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.003 -9.728 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.954 -11.143 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.841 -11.872 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.389 -10.527 -9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.024 -12.179 -9.738 1.00 0.00 H new ATOM 223 N PRO A 18 -3.057 -8.206 -9.962 1.00 0.00 N ATOM 224 CA PRO A 18 -3.040 -7.166 -10.995 1.00 0.00 C ATOM 225 C PRO A 18 -3.627 -7.653 -12.316 1.00 0.00 C ATOM 226 O PRO A 18 -3.093 -8.567 -12.943 1.00 0.00 O ATOM 227 CB PRO A 18 -1.551 -6.850 -11.156 1.00 0.00 C ATOM 228 CG PRO A 18 -0.851 -8.091 -10.721 1.00 0.00 C ATOM 229 CD PRO A 18 -1.705 -8.689 -9.637 1.00 0.00 C ATOM 0 HA PRO A 18 -3.645 -6.303 -10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.309 -6.600 -12.189 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.259 -5.996 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.734 -8.785 -11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.149 -7.866 -10.351 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.656 -9.778 -9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.388 -8.359 -8.648 1.00 0.00 H new ATOM 288 N GLU A 23 0.199 -2.449 -12.300 1.00 0.00 N ATOM 289 CA GLU A 23 -0.463 -2.659 -11.018 1.00 0.00 C ATOM 290 C GLU A 23 0.358 -3.588 -10.127 1.00 0.00 C ATOM 291 O GLU A 23 1.170 -4.376 -10.614 1.00 0.00 O ATOM 292 CB GLU A 23 -1.861 -3.243 -11.230 1.00 0.00 C ATOM 293 CG GLU A 23 -2.869 -2.234 -11.755 1.00 0.00 C ATOM 294 CD GLU A 23 -4.214 -2.860 -12.066 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.012 -3.049 -11.123 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.469 -3.162 -13.250 1.00 0.00 O ATOM 0 HA GLU A 23 -0.552 -1.692 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.795 -4.076 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.223 -3.648 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.003 -1.443 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.473 -1.766 -12.656 1.00 0.00 H new ATOM 303 N LEU A 24 0.142 -3.488 -8.821 1.00 0.00 N ATOM 304 CA LEU A 24 0.861 -4.318 -7.860 1.00 0.00 C ATOM 305 C LEU A 24 -0.105 -5.182 -7.056 1.00 0.00 C ATOM 306 O LEU A 24 -1.092 -4.687 -6.513 1.00 0.00 O ATOM 307 CB LEU A 24 1.686 -3.442 -6.917 1.00 0.00 C ATOM 308 CG LEU A 24 2.328 -4.156 -5.727 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.585 -4.894 -6.162 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.647 -3.165 -4.618 1.00 0.00 C ATOM 0 H LEU A 24 -0.525 -2.840 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 24 1.531 -4.975 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.475 -2.962 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.044 -2.648 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 24 1.617 -4.886 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.028 -5.396 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.329 -5.633 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.300 -4.183 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.103 -3.692 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.339 -2.410 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.728 -2.682 -4.286 1.00 0.00 H new ATOM 322 N GLY A 25 0.188 -6.477 -6.983 1.00 0.00 N ATOM 323 CA GLY A 25 -0.663 -7.389 -6.241 1.00 0.00 C ATOM 324 C GLY A 25 -0.138 -7.668 -4.847 1.00 0.00 C ATOM 325 O GLY A 25 1.042 -7.972 -4.670 1.00 0.00 O ATOM 0 H GLY A 25 0.999 -6.911 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.666 -6.969 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.748 -8.328 -6.788 1.00 0.00 H new ATOM 329 N PHE A 26 -1.015 -7.563 -3.854 1.00 0.00 N ATOM 330 CA PHE A 26 -0.632 -7.804 -2.467 1.00 0.00 C ATOM 331 C PHE A 26 -1.213 -9.122 -1.964 1.00 0.00 C ATOM 332 O PHE A 26 -2.132 -9.679 -2.565 1.00 0.00 O ATOM 333 CB PHE A 26 -1.104 -6.652 -1.578 1.00 0.00 C ATOM 334 CG PHE A 26 -2.560 -6.323 -1.747 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.534 -7.267 -1.468 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.954 -5.068 -2.184 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.875 -6.968 -1.621 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.293 -4.763 -2.339 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.254 -5.714 -2.059 1.00 0.00 C ATOM 0 H PHE A 26 -1.995 -7.313 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 26 0.455 -7.866 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.916 -6.908 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.511 -5.765 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.242 -8.249 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.207 -4.321 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.625 -7.713 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.588 -3.781 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.301 -5.478 -2.182 1.00 0.00 H new ATOM 349 N LYS A 27 -0.672 -9.615 -0.855 1.00 0.00 N ATOM 350 CA LYS A 27 -1.135 -10.867 -0.268 1.00 0.00 C ATOM 351 C LYS A 27 -1.664 -10.642 1.145 1.00 0.00 C ATOM 352 O LYS A 27 -1.151 -9.800 1.882 1.00 0.00 O ATOM 353 CB LYS A 27 0.000 -11.893 -0.242 1.00 0.00 C ATOM 354 CG LYS A 27 -0.478 -13.331 -0.349 1.00 0.00 C ATOM 355 CD LYS A 27 0.640 -14.258 -0.794 1.00 0.00 C ATOM 356 CE LYS A 27 0.354 -15.702 -0.410 1.00 0.00 C ATOM 357 NZ LYS A 27 0.880 -16.030 0.944 1.00 0.00 N ATOM 0 H LYS A 27 0.088 -9.166 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.948 -11.250 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.686 -11.685 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.565 -11.774 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.863 -13.660 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.304 -13.389 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.765 -14.186 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.579 -13.940 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.721 -15.878 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.803 -16.369 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.665 -17.022 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.910 -15.886 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.433 -15.411 1.650 1.00 0.00 H new ATOM 371 N GLU A 28 -2.691 -11.400 1.516 1.00 0.00 N ATOM 372 CA GLU A 28 -3.287 -11.282 2.841 1.00 0.00 C ATOM 373 C GLU A 28 -2.223 -11.396 3.929 1.00 0.00 C ATOM 374 O GLU A 28 -1.675 -12.472 4.166 1.00 0.00 O ATOM 375 CB GLU A 28 -4.354 -12.360 3.042 1.00 0.00 C ATOM 376 CG GLU A 28 -4.988 -12.339 4.423 1.00 0.00 C ATOM 377 CD GLU A 28 -6.197 -13.249 4.524 1.00 0.00 C ATOM 378 OE1 GLU A 28 -7.132 -13.085 3.713 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.207 -14.125 5.414 1.00 0.00 O ATOM 0 H GLU A 28 -3.127 -12.102 0.918 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.754 -10.300 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.134 -12.232 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.906 -13.339 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.247 -12.642 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.284 -11.319 4.667 1.00 0.00 H new ATOM 386 N GLY A 29 -1.935 -10.277 4.587 1.00 0.00 N ATOM 387 CA GLY A 29 -0.937 -10.272 5.640 1.00 0.00 C ATOM 388 C GLY A 29 0.372 -9.650 5.196 1.00 0.00 C ATOM 389 O GLY A 29 1.123 -9.117 6.013 1.00 0.00 O ATOM 0 H GLY A 29 -2.375 -9.374 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.323 -9.724 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.756 -11.295 5.970 1.00 0.00 H new ATOM 393 N ASP A 30 0.648 -9.719 3.898 1.00 0.00 N ATOM 394 CA ASP A 30 1.876 -9.158 3.347 1.00 0.00 C ATOM 395 C ASP A 30 1.911 -7.644 3.528 1.00 0.00 C ATOM 396 O ASP A 30 1.031 -6.931 3.045 1.00 0.00 O ATOM 397 CB ASP A 30 2.001 -9.510 1.864 1.00 0.00 C ATOM 398 CG ASP A 30 2.673 -10.851 1.642 1.00 0.00 C ATOM 399 OD1 ASP A 30 2.479 -11.758 2.478 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.393 -10.993 0.631 1.00 0.00 O ATOM 0 H ASP A 30 0.038 -10.158 3.208 1.00 0.00 H new ATOM 0 HA ASP A 30 2.718 -9.590 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.009 -9.525 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.571 -8.732 1.356 1.00 0.00 H new ATOM 405 N ILE A 31 2.933 -7.160 4.226 1.00 0.00 N ATOM 406 CA ILE A 31 3.082 -5.731 4.470 1.00 0.00 C ATOM 407 C ILE A 31 3.747 -5.038 3.286 1.00 0.00 C ATOM 408 O ILE A 31 4.836 -5.422 2.860 1.00 0.00 O ATOM 409 CB ILE A 31 3.911 -5.461 5.740 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.245 -6.105 6.957 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.081 -3.964 5.953 1.00 0.00 C ATOM 412 CD1 ILE A 31 1.820 -5.650 7.178 1.00 0.00 C ATOM 0 H ILE A 31 3.670 -7.737 4.632 1.00 0.00 H new ATOM 0 HA ILE A 31 2.079 -5.328 4.608 1.00 0.00 H new ATOM 0 HB ILE A 31 4.898 -5.905 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.257 -7.188 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.833 -5.876 7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.669 -3.789 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.595 -3.530 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.102 -3.499 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.411 -6.147 8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.802 -4.571 7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.218 -5.903 6.306 1.00 0.00 H new ATOM 424 N ILE A 32 3.084 -4.013 2.759 1.00 0.00 N ATOM 425 CA ILE A 32 3.611 -3.264 1.626 1.00 0.00 C ATOM 426 C ILE A 32 4.120 -1.894 2.061 1.00 0.00 C ATOM 427 O ILE A 32 3.361 -1.072 2.577 1.00 0.00 O ATOM 428 CB ILE A 32 2.547 -3.079 0.528 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.908 -4.424 0.175 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.164 -2.440 -0.706 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.694 -4.755 1.015 1.00 0.00 C ATOM 0 H ILE A 32 2.181 -3.683 3.099 1.00 0.00 H new ATOM 0 HA ILE A 32 4.440 -3.846 1.222 1.00 0.00 H new ATOM 0 HB ILE A 32 1.769 -2.416 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.621 -4.416 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.650 -5.213 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.399 -2.316 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.576 -1.466 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.960 -3.080 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.293 -5.722 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.979 -4.796 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.066 -3.986 0.875 1.00 0.00 H new ATOM 443 N THR A 33 5.410 -1.652 1.848 1.00 0.00 N ATOM 444 CA THR A 33 6.020 -0.381 2.217 1.00 0.00 C ATOM 445 C THR A 33 5.320 0.785 1.530 1.00 0.00 C ATOM 446 O THR A 33 4.711 0.621 0.472 1.00 0.00 O ATOM 447 CB THR A 33 7.517 -0.352 1.857 1.00 0.00 C ATOM 448 OG1 THR A 33 8.198 -1.433 2.502 1.00 0.00 O ATOM 449 CG2 THR A 33 8.148 0.970 2.271 1.00 0.00 C ATOM 0 H THR A 33 6.052 -2.320 1.422 1.00 0.00 H new ATOM 0 HA THR A 33 5.912 -0.280 3.297 1.00 0.00 H new ATOM 0 HB THR A 33 7.609 -0.459 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.149 -1.408 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.205 0.967 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.647 1.789 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.044 1.101 3.348 1.00 0.00 H new ATOM 457 N LEU A 34 5.411 1.964 2.136 1.00 0.00 N ATOM 458 CA LEU A 34 4.787 3.160 1.581 1.00 0.00 C ATOM 459 C LEU A 34 5.836 4.214 1.241 1.00 0.00 C ATOM 460 O LEU A 34 6.798 4.411 1.984 1.00 0.00 O ATOM 461 CB LEU A 34 3.771 3.735 2.570 1.00 0.00 C ATOM 462 CG LEU A 34 2.583 2.834 2.911 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.895 3.316 4.178 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.599 2.788 1.751 1.00 0.00 C ATOM 0 H LEU A 34 5.911 2.117 3.012 1.00 0.00 H new ATOM 0 HA LEU A 34 4.272 2.878 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.293 3.980 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.387 4.670 2.163 1.00 0.00 H new ATOM 0 HG LEU A 34 2.955 1.824 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.052 2.663 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.603 3.296 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.536 4.335 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.760 2.142 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.233 3.794 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.099 2.395 0.866 1.00 0.00 H new ATOM 476 N THR A 35 5.642 4.893 0.115 1.00 0.00 N ATOM 477 CA THR A 35 6.570 5.928 -0.323 1.00 0.00 C ATOM 478 C THR A 35 5.830 7.208 -0.694 1.00 0.00 C ATOM 479 O THR A 35 6.167 8.291 -0.216 1.00 0.00 O ATOM 480 CB THR A 35 7.403 5.461 -1.532 1.00 0.00 C ATOM 481 OG1 THR A 35 6.552 5.269 -2.668 1.00 0.00 O ATOM 482 CG2 THR A 35 8.137 4.167 -1.216 1.00 0.00 C ATOM 0 H THR A 35 4.850 4.745 -0.511 1.00 0.00 H new ATOM 0 HA THR A 35 7.239 6.128 0.514 1.00 0.00 H new ATOM 0 HB THR A 35 8.140 6.232 -1.757 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.980 4.487 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.718 3.857 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.805 4.325 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.414 3.390 -0.967 1.00 0.00 H new ATOM 490 N ASN A 36 4.820 7.077 -1.548 1.00 0.00 N ATOM 491 CA ASN A 36 4.033 8.225 -1.982 1.00 0.00 C ATOM 492 C ASN A 36 2.649 7.787 -2.455 1.00 0.00 C ATOM 493 O ASN A 36 2.364 6.594 -2.549 1.00 0.00 O ATOM 494 CB ASN A 36 4.756 8.970 -3.106 1.00 0.00 C ATOM 495 CG ASN A 36 5.822 9.912 -2.582 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.537 10.814 -1.794 1.00 0.00 O ATOM 497 ND2 ASN A 36 7.060 9.706 -3.019 1.00 0.00 N ATOM 0 H ASN A 36 4.528 6.188 -1.953 1.00 0.00 H new ATOM 0 HA ASN A 36 3.912 8.895 -1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.214 8.247 -3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.030 9.536 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.820 10.308 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.250 8.946 -3.672 1.00 0.00 H new ATOM 504 N GLN A 37 1.796 8.762 -2.750 1.00 0.00 N ATOM 505 CA GLN A 37 0.442 8.478 -3.213 1.00 0.00 C ATOM 506 C GLN A 37 0.132 9.247 -4.493 1.00 0.00 C ATOM 507 O GLN A 37 0.365 10.453 -4.575 1.00 0.00 O ATOM 508 CB GLN A 37 -0.576 8.835 -2.129 1.00 0.00 C ATOM 509 CG GLN A 37 -1.983 9.050 -2.663 1.00 0.00 C ATOM 510 CD GLN A 37 -2.977 9.385 -1.569 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.738 10.269 -0.746 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.101 8.677 -1.553 1.00 0.00 N ATOM 0 H GLN A 37 2.018 9.755 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 37 0.374 7.411 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.596 8.039 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.248 9.740 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.970 9.856 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.311 8.151 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.258 7.953 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.807 8.857 -0.839 1.00 0.00 H new ATOM 521 N ILE A 38 -0.395 8.542 -5.488 1.00 0.00 N ATOM 522 CA ILE A 38 -0.739 9.159 -6.763 1.00 0.00 C ATOM 523 C ILE A 38 -2.225 9.492 -6.830 1.00 0.00 C ATOM 524 O ILE A 38 -2.609 10.583 -7.252 1.00 0.00 O ATOM 525 CB ILE A 38 -0.375 8.244 -7.947 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.144 8.099 -8.061 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.959 8.794 -9.240 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.701 6.939 -7.267 1.00 0.00 C ATOM 0 H ILE A 38 -0.593 7.543 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.160 10.080 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.802 7.257 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.411 7.972 -9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.615 9.021 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.693 8.137 -10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.044 8.849 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.558 9.791 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.783 6.897 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.465 7.074 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.257 6.009 -7.622 1.00 0.00 H new ATOM 540 N ASP A 39 -3.057 8.546 -6.409 1.00 0.00 N ATOM 541 CA ASP A 39 -4.503 8.740 -6.418 1.00 0.00 C ATOM 542 C ASP A 39 -5.027 8.987 -5.007 1.00 0.00 C ATOM 543 O ASP A 39 -4.276 8.916 -4.035 1.00 0.00 O ATOM 544 CB ASP A 39 -5.198 7.521 -7.027 1.00 0.00 C ATOM 545 CG ASP A 39 -4.391 6.893 -8.146 1.00 0.00 C ATOM 546 OD1 ASP A 39 -3.225 6.521 -7.899 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.924 6.774 -9.269 1.00 0.00 O ATOM 0 H ASP A 39 -2.756 7.637 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.724 9.617 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.372 6.779 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.175 7.817 -7.409 1.00 0.00 H new ATOM 552 N GLU A 40 -6.319 9.280 -4.904 1.00 0.00 N ATOM 553 CA GLU A 40 -6.942 9.540 -3.612 1.00 0.00 C ATOM 554 C GLU A 40 -7.342 8.235 -2.928 1.00 0.00 C ATOM 555 O GLU A 40 -7.681 8.221 -1.745 1.00 0.00 O ATOM 556 CB GLU A 40 -8.171 10.436 -3.784 1.00 0.00 C ATOM 557 CG GLU A 40 -9.025 10.544 -2.532 1.00 0.00 C ATOM 558 CD GLU A 40 -10.098 11.610 -2.648 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.017 11.437 -3.477 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.019 12.615 -1.912 1.00 0.00 O ATOM 0 H GLU A 40 -6.954 9.343 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.214 10.052 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.845 11.434 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.782 10.047 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.495 9.581 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.385 10.769 -1.679 1.00 0.00 H new ATOM 567 N ASN A 41 -7.301 7.142 -3.682 1.00 0.00 N ATOM 568 CA ASN A 41 -7.660 5.832 -3.150 1.00 0.00 C ATOM 569 C ASN A 41 -6.572 4.806 -3.451 1.00 0.00 C ATOM 570 O ASN A 41 -6.754 3.610 -3.226 1.00 0.00 O ATOM 571 CB ASN A 41 -8.993 5.367 -3.741 1.00 0.00 C ATOM 572 CG ASN A 41 -10.183 5.851 -2.935 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.480 5.318 -1.865 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.870 6.865 -3.446 1.00 0.00 N ATOM 0 H ASN A 41 -7.023 7.137 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.761 5.921 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.080 5.730 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.007 4.278 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.681 7.234 -2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.587 7.276 -4.336 1.00 0.00 H new ATOM 581 N TRP A 42 -5.442 5.283 -3.959 1.00 0.00 N ATOM 582 CA TRP A 42 -4.323 4.407 -4.290 1.00 0.00 C ATOM 583 C TRP A 42 -3.043 4.878 -3.611 1.00 0.00 C ATOM 584 O TRP A 42 -2.932 6.038 -3.211 1.00 0.00 O ATOM 585 CB TRP A 42 -4.121 4.353 -5.806 1.00 0.00 C ATOM 586 CG TRP A 42 -5.297 3.785 -6.542 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.508 4.385 -6.740 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.373 2.504 -7.176 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.332 3.553 -7.459 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.659 2.393 -7.739 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.479 1.440 -7.325 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.071 1.261 -8.438 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.889 0.317 -8.017 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.175 0.235 -8.568 1.00 0.00 C ATOM 0 H TRP A 42 -5.276 6.271 -4.151 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.558 3.407 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.922 5.359 -6.175 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.239 3.752 -6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.778 5.368 -6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.290 3.765 -7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.485 1.495 -6.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.062 1.195 -8.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.207 -0.512 -8.135 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.465 -0.656 -9.106 1.00 0.00 H new ATOM 605 N TYR A 43 -2.078 3.974 -3.483 1.00 0.00 N ATOM 606 CA TYR A 43 -0.806 4.298 -2.849 1.00 0.00 C ATOM 607 C TYR A 43 0.363 3.954 -3.767 1.00 0.00 C ATOM 608 O TYR A 43 0.168 3.486 -4.888 1.00 0.00 O ATOM 609 CB TYR A 43 -0.666 3.547 -1.524 1.00 0.00 C ATOM 610 CG TYR A 43 -1.210 4.308 -0.336 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.898 5.648 -0.143 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.037 3.688 0.592 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.392 6.347 0.942 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.537 4.380 1.678 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.211 5.709 1.849 1.00 0.00 C ATOM 616 OH TYR A 43 -2.707 6.402 2.929 1.00 0.00 O ATOM 0 H TYR A 43 -2.153 3.011 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.789 5.370 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.185 2.591 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.387 3.325 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.259 6.152 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.294 2.647 0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.138 7.388 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.180 3.883 2.389 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.444 5.897 3.332 1.00 0.00 H new ATOM 626 N GLU A 44 1.578 4.189 -3.281 1.00 0.00 N ATOM 627 CA GLU A 44 2.779 3.905 -4.058 1.00 0.00 C ATOM 628 C GLU A 44 3.898 3.386 -3.159 1.00 0.00 C ATOM 629 O GLU A 44 4.400 4.106 -2.297 1.00 0.00 O ATOM 630 CB GLU A 44 3.245 5.161 -4.797 1.00 0.00 C ATOM 631 CG GLU A 44 4.218 4.875 -5.929 1.00 0.00 C ATOM 632 CD GLU A 44 4.840 6.137 -6.495 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.388 6.933 -5.704 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.780 6.327 -7.728 1.00 0.00 O ATOM 0 H GLU A 44 1.756 4.575 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 44 2.534 3.133 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.375 5.680 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.718 5.837 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.007 4.216 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.698 4.342 -6.725 1.00 0.00 H new ATOM 641 N GLY A 45 4.282 2.130 -3.367 1.00 0.00 N ATOM 642 CA GLY A 45 5.338 1.536 -2.568 1.00 0.00 C ATOM 643 C GLY A 45 6.071 0.433 -3.305 1.00 0.00 C ATOM 644 O GLY A 45 5.814 0.187 -4.483 1.00 0.00 O ATOM 0 H GLY A 45 3.881 1.514 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.049 2.310 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.912 1.134 -1.649 1.00 0.00 H new ATOM 648 N MET A 46 6.989 -0.232 -2.611 1.00 0.00 N ATOM 649 CA MET A 46 7.763 -1.315 -3.208 1.00 0.00 C ATOM 650 C MET A 46 7.350 -2.663 -2.625 1.00 0.00 C ATOM 651 O MET A 46 7.064 -2.774 -1.432 1.00 0.00 O ATOM 652 CB MET A 46 9.258 -1.085 -2.984 1.00 0.00 C ATOM 653 CG MET A 46 9.923 -0.283 -4.091 1.00 0.00 C ATOM 654 SD MET A 46 11.721 -0.273 -3.958 1.00 0.00 S ATOM 655 CE MET A 46 11.953 0.874 -2.601 1.00 0.00 C ATOM 0 H MET A 46 7.215 -0.040 -1.635 1.00 0.00 H new ATOM 0 HA MET A 46 7.561 -1.325 -4.279 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.399 -0.566 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.756 -2.050 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.636 -0.698 -5.057 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.555 0.743 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.018 0.986 -2.398 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.530 1.843 -2.867 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.452 0.491 -1.712 1.00 0.00 H new ATOM 665 N LEU A 47 7.321 -3.685 -3.473 1.00 0.00 N ATOM 666 CA LEU A 47 6.944 -5.026 -3.042 1.00 0.00 C ATOM 667 C LEU A 47 7.613 -6.086 -3.912 1.00 0.00 C ATOM 668 O LEU A 47 7.324 -6.200 -5.103 1.00 0.00 O ATOM 669 CB LEU A 47 5.424 -5.191 -3.096 1.00 0.00 C ATOM 670 CG LEU A 47 4.859 -6.432 -2.403 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.122 -6.375 -0.907 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.368 -6.564 -2.679 1.00 0.00 C ATOM 0 H LEU A 47 7.554 -3.610 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 47 7.282 -5.160 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.967 -4.309 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.118 -5.212 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 47 5.363 -7.310 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.713 -7.266 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.196 -6.329 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.646 -5.489 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.983 -7.452 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.849 -5.682 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.203 -6.652 -3.753 1.00 0.00 H new ATOM 684 N HIS A 48 8.506 -6.862 -3.307 1.00 0.00 N ATOM 685 CA HIS A 48 9.215 -7.916 -4.026 1.00 0.00 C ATOM 686 C HIS A 48 9.963 -7.345 -5.226 1.00 0.00 C ATOM 687 O HIS A 48 9.970 -7.938 -6.305 1.00 0.00 O ATOM 688 CB HIS A 48 8.235 -8.995 -4.486 1.00 0.00 C ATOM 689 CG HIS A 48 7.920 -10.008 -3.429 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.876 -10.819 -2.854 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.746 -10.339 -2.842 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.304 -11.605 -1.960 1.00 0.00 C ATOM 693 NE2 HIS A 48 7.011 -11.334 -1.933 1.00 0.00 N ATOM 0 H HIS A 48 8.756 -6.782 -2.321 1.00 0.00 H new ATOM 0 HA HIS A 48 9.941 -8.362 -3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.309 -8.519 -4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.651 -9.506 -5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.780 -9.902 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.807 -12.344 -1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.322 -11.790 -1.335 1.00 0.00 H new ATOM 702 N GLY A 49 10.593 -6.190 -5.032 1.00 0.00 N ATOM 703 CA GLY A 49 11.334 -5.559 -6.108 1.00 0.00 C ATOM 704 C GLY A 49 10.428 -4.992 -7.182 1.00 0.00 C ATOM 705 O GLY A 49 10.891 -4.609 -8.257 1.00 0.00 O ATOM 0 H GLY A 49 10.603 -5.680 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.952 -4.760 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.010 -6.288 -6.555 1.00 0.00 H new ATOM 709 N HIS A 50 9.132 -4.940 -6.893 1.00 0.00 N ATOM 710 CA HIS A 50 8.157 -4.416 -7.844 1.00 0.00 C ATOM 711 C HIS A 50 7.534 -3.124 -7.327 1.00 0.00 C ATOM 712 O HIS A 50 7.018 -3.075 -6.211 1.00 0.00 O ATOM 713 CB HIS A 50 7.065 -5.453 -8.110 1.00 0.00 C ATOM 714 CG HIS A 50 7.577 -6.719 -8.725 1.00 0.00 C ATOM 715 ND1 HIS A 50 7.953 -6.814 -10.048 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.775 -7.946 -8.190 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.360 -8.045 -10.300 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.262 -8.752 -9.189 1.00 0.00 N ATOM 0 H HIS A 50 8.732 -5.254 -6.009 1.00 0.00 H new ATOM 0 HA HIS A 50 8.676 -4.199 -8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.565 -5.691 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.314 -5.017 -8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.585 -8.237 -7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.713 -8.411 -11.253 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.508 -9.737 -9.089 1.00 0.00 H new ATOM 727 N SER A 51 7.585 -2.078 -8.147 1.00 0.00 N ATOM 728 CA SER A 51 7.029 -0.784 -7.770 1.00 0.00 C ATOM 729 C SER A 51 5.687 -0.548 -8.457 1.00 0.00 C ATOM 730 O SER A 51 5.624 -0.341 -9.668 1.00 0.00 O ATOM 731 CB SER A 51 8.004 0.338 -8.133 1.00 0.00 C ATOM 732 OG SER A 51 8.427 0.230 -9.481 1.00 0.00 O ATOM 0 H SER A 51 8.006 -2.102 -9.076 1.00 0.00 H new ATOM 0 HA SER A 51 6.870 -0.784 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.526 1.305 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.870 0.299 -7.473 1.00 0.00 H new ATOM 0 HG SER A 51 7.661 -0.000 -10.047 1.00 0.00 H new ATOM 738 N GLY A 52 4.614 -0.582 -7.672 1.00 0.00 N ATOM 739 CA GLY A 52 3.287 -0.372 -8.220 1.00 0.00 C ATOM 740 C GLY A 52 2.338 0.254 -7.217 1.00 0.00 C ATOM 741 O GLY A 52 2.677 0.409 -6.044 1.00 0.00 O ATOM 0 H GLY A 52 4.640 -0.751 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.357 0.270 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.880 -1.326 -8.554 1.00 0.00 H new ATOM 745 N PHE A 53 1.146 0.616 -7.679 1.00 0.00 N ATOM 746 CA PHE A 53 0.146 1.231 -6.815 1.00 0.00 C ATOM 747 C PHE A 53 -0.897 0.207 -6.375 1.00 0.00 C ATOM 748 O PHE A 53 -1.172 -0.760 -7.086 1.00 0.00 O ATOM 749 CB PHE A 53 -0.538 2.394 -7.537 1.00 0.00 C ATOM 750 CG PHE A 53 0.357 3.102 -8.514 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.638 3.484 -8.149 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.083 3.385 -9.797 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.463 4.136 -9.045 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.738 4.037 -10.698 1.00 0.00 C ATOM 755 CZ PHE A 53 2.013 4.412 -10.322 1.00 0.00 C ATOM 0 H PHE A 53 0.849 0.494 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 53 0.653 1.611 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.414 2.018 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.895 3.111 -6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.996 3.270 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.079 3.093 -10.097 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.459 4.430 -8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.383 4.253 -11.695 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.657 4.920 -11.025 1.00 0.00 H new ATOM 765 N PHE A 54 -1.474 0.427 -5.198 1.00 0.00 N ATOM 766 CA PHE A 54 -2.485 -0.476 -4.662 1.00 0.00 C ATOM 767 C PHE A 54 -3.549 0.296 -3.887 1.00 0.00 C ATOM 768 O PHE A 54 -3.307 1.387 -3.371 1.00 0.00 O ATOM 769 CB PHE A 54 -1.835 -1.522 -3.754 1.00 0.00 C ATOM 770 CG PHE A 54 -0.836 -0.944 -2.793 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.429 -0.578 -3.224 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.162 -0.766 -1.458 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.350 -0.045 -2.343 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.245 -0.234 -0.572 1.00 0.00 C ATOM 775 CZ PHE A 54 1.013 0.126 -1.015 1.00 0.00 C ATOM 0 H PHE A 54 -1.258 1.223 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.966 -0.981 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.613 -2.036 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.341 -2.271 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.698 -0.711 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.144 -1.046 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.332 0.237 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.511 -0.100 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.732 0.541 -0.324 1.00 0.00 H new ATOM 785 N PRO A 55 -4.756 -0.282 -3.803 1.00 0.00 N ATOM 786 CA PRO A 55 -5.881 0.333 -3.094 1.00 0.00 C ATOM 787 C PRO A 55 -5.675 0.349 -1.583 1.00 0.00 C ATOM 788 O PRO A 55 -4.889 -0.432 -1.047 1.00 0.00 O ATOM 789 CB PRO A 55 -7.066 -0.562 -3.463 1.00 0.00 C ATOM 790 CG PRO A 55 -6.457 -1.883 -3.785 1.00 0.00 C ATOM 791 CD PRO A 55 -5.115 -1.582 -4.395 1.00 0.00 C ATOM 0 HA PRO A 55 -6.016 1.378 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.773 -0.643 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.615 -0.161 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.350 -2.493 -2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.084 -2.443 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.381 -2.351 -4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.171 -1.527 -5.482 1.00 0.00 H new ATOM 799 N ILE A 56 -6.387 1.241 -0.902 1.00 0.00 N ATOM 800 CA ILE A 56 -6.282 1.356 0.547 1.00 0.00 C ATOM 801 C ILE A 56 -7.382 0.561 1.242 1.00 0.00 C ATOM 802 O ILE A 56 -7.169 -0.011 2.310 1.00 0.00 O ATOM 803 CB ILE A 56 -6.360 2.825 1.002 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.123 3.593 0.533 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.496 2.904 2.516 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.239 4.121 -0.880 1.00 0.00 C ATOM 0 H ILE A 56 -7.043 1.894 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.310 0.949 0.827 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.241 3.283 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.945 4.428 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.253 2.939 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.550 3.949 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.404 2.387 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.632 2.433 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.326 4.654 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.386 3.289 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.089 4.801 -0.946 1.00 0.00 H new ATOM 818 N ASN A 57 -8.560 0.528 0.627 1.00 0.00 N ATOM 819 CA ASN A 57 -9.695 -0.198 1.186 1.00 0.00 C ATOM 820 C ASN A 57 -9.362 -1.677 1.358 1.00 0.00 C ATOM 821 O ASN A 57 -10.108 -2.422 1.995 1.00 0.00 O ATOM 822 CB ASN A 57 -10.921 -0.041 0.285 1.00 0.00 C ATOM 823 CG ASN A 57 -12.163 -0.674 0.883 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.737 -1.601 0.311 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.583 -0.176 2.040 1.00 0.00 N ATOM 0 H ASN A 57 -8.754 0.996 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.917 0.223 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.106 1.019 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.716 -0.495 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.413 -0.562 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.076 0.593 2.478 1.00 0.00 H new ATOM 832 N TYR A 58 -8.239 -2.096 0.786 1.00 0.00 N ATOM 833 CA TYR A 58 -7.808 -3.486 0.874 1.00 0.00 C ATOM 834 C TYR A 58 -6.728 -3.655 1.938 1.00 0.00 C ATOM 835 O TYR A 58 -6.681 -4.669 2.635 1.00 0.00 O ATOM 836 CB TYR A 58 -7.285 -3.967 -0.481 1.00 0.00 C ATOM 837 CG TYR A 58 -8.374 -4.432 -1.420 1.00 0.00 C ATOM 838 CD1 TYR A 58 -8.898 -5.716 -1.327 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.881 -3.588 -2.401 1.00 0.00 C ATOM 840 CE1 TYR A 58 -9.892 -6.146 -2.184 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.877 -4.009 -3.261 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.379 -5.289 -3.149 1.00 0.00 C ATOM 843 OH TYR A 58 -11.371 -5.713 -4.003 1.00 0.00 O ATOM 0 H TYR A 58 -7.610 -1.493 0.256 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.670 -4.090 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.730 -3.158 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.582 -4.784 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.521 -6.389 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.490 -2.586 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.286 -7.148 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.260 -3.340 -4.017 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.602 -4.989 -4.622 1.00 0.00 H new ATOM 853 N VAL A 59 -5.862 -2.654 2.057 1.00 0.00 N ATOM 854 CA VAL A 59 -4.783 -2.690 3.037 1.00 0.00 C ATOM 855 C VAL A 59 -5.030 -1.693 4.163 1.00 0.00 C ATOM 856 O VAL A 59 -5.465 -0.567 3.924 1.00 0.00 O ATOM 857 CB VAL A 59 -3.422 -2.382 2.384 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.202 -3.266 1.166 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.332 -0.911 2.008 1.00 0.00 C ATOM 0 H VAL A 59 -5.886 -1.808 1.487 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.762 -3.700 3.447 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.635 -2.597 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.236 -3.034 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.220 -4.313 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.992 -3.085 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.364 -0.712 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.126 -0.667 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.441 -0.299 2.903 1.00 0.00 H new ATOM 869 N GLU A 60 -4.750 -2.115 5.392 1.00 0.00 N ATOM 870 CA GLU A 60 -4.943 -1.259 6.556 1.00 0.00 C ATOM 871 C GLU A 60 -3.704 -0.406 6.815 1.00 0.00 C ATOM 872 O GLU A 60 -2.586 -0.918 6.876 1.00 0.00 O ATOM 873 CB GLU A 60 -5.261 -2.104 7.792 1.00 0.00 C ATOM 874 CG GLU A 60 -5.745 -1.288 8.979 1.00 0.00 C ATOM 875 CD GLU A 60 -7.035 -0.546 8.690 1.00 0.00 C ATOM 876 OE1 GLU A 60 -6.981 0.494 8.002 1.00 0.00 O ATOM 877 OE2 GLU A 60 -8.100 -1.008 9.152 1.00 0.00 O ATOM 0 H GLU A 60 -4.389 -3.044 5.607 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.784 -0.596 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.022 -2.840 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.368 -2.658 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.894 -1.949 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.974 -0.572 9.261 1.00 0.00 H new ATOM 884 N ILE A 61 -3.912 0.898 6.966 1.00 0.00 N ATOM 885 CA ILE A 61 -2.813 1.822 7.218 1.00 0.00 C ATOM 886 C ILE A 61 -2.542 1.958 8.713 1.00 0.00 C ATOM 887 O ILE A 61 -3.270 2.649 9.427 1.00 0.00 O ATOM 888 CB ILE A 61 -3.104 3.216 6.632 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.155 3.150 5.104 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.051 4.214 7.090 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.041 2.326 4.498 1.00 0.00 C ATOM 0 H ILE A 61 -4.831 1.338 6.918 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.933 1.407 6.727 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.076 3.551 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.114 2.731 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.107 4.162 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.271 5.194 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.059 4.278 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.068 3.886 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.140 2.323 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.078 2.757 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.101 1.303 4.871 1.00 0.00 H new ATOM 903 N LEU A 62 -1.489 1.295 9.180 1.00 0.00 N ATOM 904 CA LEU A 62 -1.120 1.343 10.590 1.00 0.00 C ATOM 905 C LEU A 62 -0.401 2.648 10.921 1.00 0.00 C ATOM 906 O LEU A 62 -0.641 3.253 11.966 1.00 0.00 O ATOM 907 CB LEU A 62 -0.227 0.153 10.944 1.00 0.00 C ATOM 908 CG LEU A 62 -0.669 -1.204 10.394 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.464 -2.214 10.493 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.899 -1.706 11.136 1.00 0.00 C ATOM 0 H LEU A 62 -0.877 0.719 8.603 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.034 1.293 11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.780 0.359 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.166 0.080 12.030 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.929 -1.081 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.132 -3.174 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.318 -1.860 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.755 -2.333 11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.199 -2.673 10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.666 -1.813 12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.714 -0.993 11.014 1.00 0.00 H new ATOM 922 N VAL A 63 0.479 3.077 10.022 1.00 0.00 N ATOM 923 CA VAL A 63 1.231 4.311 10.216 1.00 0.00 C ATOM 924 C VAL A 63 0.894 5.335 9.138 1.00 0.00 C ATOM 925 O VAL A 63 1.256 5.167 7.974 1.00 0.00 O ATOM 926 CB VAL A 63 2.749 4.052 10.207 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.515 5.365 10.158 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.157 3.232 11.421 1.00 0.00 C ATOM 0 H VAL A 63 0.689 2.588 9.152 1.00 0.00 H new ATOM 0 HA VAL A 63 0.944 4.706 11.191 1.00 0.00 H new ATOM 0 HB VAL A 63 2.997 3.481 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.586 5.162 10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.244 5.911 9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.264 5.965 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.233 3.059 11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.896 3.774 12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.635 2.275 11.406 1.00 0.00 H new ATOM 938 N ALA A 64 0.199 6.396 9.533 1.00 0.00 N ATOM 939 CA ALA A 64 -0.185 7.449 8.601 1.00 0.00 C ATOM 940 C ALA A 64 1.041 8.179 8.063 1.00 0.00 C ATOM 941 O ALA A 64 1.867 8.675 8.830 1.00 0.00 O ATOM 942 CB ALA A 64 -1.133 8.430 9.274 1.00 0.00 C ATOM 0 H ALA A 64 -0.110 6.549 10.493 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.698 6.985 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.411 9.211 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.028 7.903 9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.639 8.880 10.135 1.00 0.00 H new ATOM 948 N LEU A 65 1.153 8.241 6.741 1.00 0.00 N ATOM 949 CA LEU A 65 2.279 8.911 6.100 1.00 0.00 C ATOM 950 C LEU A 65 2.531 10.277 6.730 1.00 0.00 C ATOM 951 O LEU A 65 1.623 10.923 7.253 1.00 0.00 O ATOM 952 CB LEU A 65 2.018 9.068 4.601 1.00 0.00 C ATOM 953 CG LEU A 65 1.883 7.771 3.803 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.118 8.016 2.512 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.254 7.180 3.509 1.00 0.00 C ATOM 0 H LEU A 65 0.478 7.836 6.092 1.00 0.00 H new ATOM 0 HA LEU A 65 3.167 8.296 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.104 9.648 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.831 9.653 4.170 1.00 0.00 H new ATOM 0 HG LEU A 65 1.322 7.055 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.032 7.082 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.122 8.393 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.651 8.749 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.138 6.257 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.841 7.892 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.767 6.966 4.447 1.00 0.00 H new ATOM 967 N PRO A 66 3.793 10.730 6.678 1.00 0.00 N ATOM 968 CA PRO A 66 4.193 12.025 7.236 1.00 0.00 C ATOM 969 C PRO A 66 3.635 13.198 6.437 1.00 0.00 C ATOM 970 O PRO A 66 3.810 14.357 6.813 1.00 0.00 O ATOM 971 CB PRO A 66 5.721 11.994 7.144 1.00 0.00 C ATOM 972 CG PRO A 66 6.014 11.049 6.031 1.00 0.00 C ATOM 973 CD PRO A 66 4.926 10.012 6.069 1.00 0.00 C ATOM 0 HA PRO A 66 3.816 12.166 8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.125 12.985 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.167 11.655 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.025 11.567 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.995 10.590 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.682 9.649 5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.218 9.145 6.661 1.00 0.00 H new