USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= -5.91! K(o=-5.9!,f=-1.6) USER MOD Set 1.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 150:sc= -0.383 (180deg=-1.46!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.994 USER MOD Single : A 12 SER OG : rot 180:sc= -0.293 USER MOD Single : A 26 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.21) USER MOD Single : A 29 HIS : no HD1:sc= -7.26! C(o=-7.3!,f=-5.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.22) USER MOD Single : A 38 GLN : amide:sc= -6.68! C(o=-6.7!,f=-2.5!) USER MOD Single : A 50 GLN : amide:sc= -4.42! K(o=-4.4!,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 66 THR OG1 : rot 95:sc= 0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.256 6.594 -3.571 1.00 0.00 N ATOM 2 CA MET A 1 13.683 7.701 -4.328 1.00 0.00 C ATOM 3 C MET A 1 12.286 7.341 -4.827 1.00 0.00 C ATOM 4 O MET A 1 12.138 6.442 -5.655 1.00 0.00 O ATOM 5 CB MET A 1 14.587 8.043 -5.513 1.00 0.00 C ATOM 6 CG MET A 1 14.091 9.208 -6.348 1.00 0.00 C ATOM 7 SD MET A 1 14.990 9.365 -7.903 1.00 0.00 S ATOM 8 CE MET A 1 14.584 7.791 -8.658 1.00 0.00 C ATOM 0 H1 MET A 1 15.206 6.856 -3.239 1.00 0.00 H new ATOM 0 H2 MET A 1 13.650 6.382 -2.753 1.00 0.00 H new ATOM 0 H3 MET A 1 14.321 5.754 -4.180 1.00 0.00 H new ATOM 0 HA MET A 1 13.605 8.568 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.585 8.274 -5.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.680 7.165 -6.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.029 9.077 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.193 10.131 -5.777 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.573 7.900 -9.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.330 7.048 -8.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.601 7.466 -8.316 1.00 0.00 H new ATOM 18 N SER A 2 11.276 8.045 -4.304 1.00 0.00 N ATOM 19 CA SER A 2 9.859 7.788 -4.601 1.00 0.00 C ATOM 20 C SER A 2 9.505 6.316 -4.404 1.00 0.00 C ATOM 21 O SER A 2 8.560 5.799 -5.005 1.00 0.00 O ATOM 22 CB SER A 2 9.493 8.256 -6.019 1.00 0.00 C ATOM 23 OG SER A 2 10.276 7.612 -7.011 1.00 0.00 O ATOM 0 H SER A 2 11.419 8.819 -3.655 1.00 0.00 H new ATOM 0 HA SER A 2 9.268 8.369 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.438 8.057 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.632 9.335 -6.092 1.00 0.00 H new ATOM 0 HG SER A 2 10.743 6.848 -6.614 1.00 0.00 H new ATOM 29 N ALA A 3 10.272 5.656 -3.550 1.00 0.00 N ATOM 30 CA ALA A 3 10.111 4.243 -3.297 1.00 0.00 C ATOM 31 C ALA A 3 10.687 3.884 -1.945 1.00 0.00 C ATOM 32 O ALA A 3 11.755 3.277 -1.833 1.00 0.00 O ATOM 33 CB ALA A 3 10.771 3.450 -4.395 1.00 0.00 C ATOM 0 H ALA A 3 11.023 6.091 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 3 9.049 3.998 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.647 2.385 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.311 3.700 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.833 3.691 -4.430 1.00 0.00 H new ATOM 39 N VAL A 4 9.970 4.273 -0.920 1.00 0.00 N ATOM 40 CA VAL A 4 10.404 4.048 0.443 1.00 0.00 C ATOM 41 C VAL A 4 9.633 2.890 1.042 1.00 0.00 C ATOM 42 O VAL A 4 8.412 2.815 0.902 1.00 0.00 O ATOM 43 CB VAL A 4 10.195 5.296 1.323 1.00 0.00 C ATOM 44 CG1 VAL A 4 10.853 5.117 2.683 1.00 0.00 C ATOM 45 CG2 VAL A 4 10.724 6.535 0.625 1.00 0.00 C ATOM 0 H VAL A 4 9.073 4.752 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 4 11.470 3.822 0.415 1.00 0.00 H new ATOM 0 HB VAL A 4 9.125 5.425 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.692 6.011 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.416 4.255 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.923 4.957 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.568 7.406 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.790 6.415 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.195 6.675 -0.318 1.00 0.00 H new ATOM 55 N GLN A 5 10.348 1.971 1.667 1.00 0.00 N ATOM 56 CA GLN A 5 9.713 0.867 2.349 1.00 0.00 C ATOM 57 C GLN A 5 8.821 1.421 3.446 1.00 0.00 C ATOM 58 O GLN A 5 9.300 1.946 4.451 1.00 0.00 O ATOM 59 CB GLN A 5 10.779 -0.058 2.950 1.00 0.00 C ATOM 60 CG GLN A 5 10.344 -1.507 3.124 1.00 0.00 C ATOM 61 CD GLN A 5 9.143 -1.685 4.027 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.272 -1.832 5.237 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.965 -1.692 3.438 1.00 0.00 N ATOM 0 H GLN A 5 11.367 1.971 1.714 1.00 0.00 H new ATOM 0 HA GLN A 5 9.113 0.290 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.663 -0.033 2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.076 0.337 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.115 -1.927 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.178 -2.080 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.899 -1.566 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.119 -1.823 3.992 1.00 0.00 H new ATOM 72 N VAL A 6 7.527 1.315 3.237 1.00 0.00 N ATOM 73 CA VAL A 6 6.567 1.785 4.210 1.00 0.00 C ATOM 74 C VAL A 6 5.338 0.921 4.188 1.00 0.00 C ATOM 75 O VAL A 6 4.649 0.762 5.191 1.00 0.00 O ATOM 76 CB VAL A 6 6.162 3.251 3.958 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.270 3.376 2.739 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.484 3.816 5.194 1.00 0.00 C ATOM 0 H VAL A 6 7.115 0.906 2.399 1.00 0.00 H new ATOM 0 HA VAL A 6 7.045 1.727 5.188 1.00 0.00 H new ATOM 0 HB VAL A 6 7.063 3.830 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.003 4.422 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.800 3.008 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.365 2.788 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.200 4.852 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.593 3.230 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.172 3.772 6.038 1.00 0.00 H new ATOM 88 N LEU A 7 5.106 0.310 3.058 1.00 0.00 N ATOM 89 CA LEU A 7 3.930 -0.467 2.866 1.00 0.00 C ATOM 90 C LEU A 7 4.396 -1.885 2.702 1.00 0.00 C ATOM 91 O LEU A 7 5.542 -2.102 2.354 1.00 0.00 O ATOM 92 CB LEU A 7 3.192 0.060 1.625 1.00 0.00 C ATOM 93 CG LEU A 7 1.668 -0.160 1.607 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.015 0.535 0.427 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.299 -1.626 1.593 1.00 0.00 C ATOM 0 H LEU A 7 5.730 0.342 2.252 1.00 0.00 H new ATOM 0 HA LEU A 7 3.230 -0.408 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.387 1.129 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.619 -0.416 0.742 1.00 0.00 H new ATOM 0 HG LEU A 7 1.292 0.279 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.060 0.356 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.206 1.607 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.429 0.142 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.214 -1.728 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.718 -2.098 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.699 -2.110 2.484 1.00 0.00 H new ATOM 107 N LYS A 8 3.579 -2.835 3.051 1.00 0.00 N ATOM 108 CA LYS A 8 3.917 -4.203 2.855 1.00 0.00 C ATOM 109 C LYS A 8 2.659 -5.016 2.773 1.00 0.00 C ATOM 110 O LYS A 8 1.627 -4.652 3.336 1.00 0.00 O ATOM 111 CB LYS A 8 4.816 -4.693 3.981 1.00 0.00 C ATOM 112 CG LYS A 8 4.281 -4.409 5.365 1.00 0.00 C ATOM 113 CD LYS A 8 5.363 -3.830 6.260 1.00 0.00 C ATOM 114 CE LYS A 8 5.522 -2.333 6.051 1.00 0.00 C ATOM 115 NZ LYS A 8 6.158 -1.678 7.226 1.00 0.00 N ATOM 0 H LYS A 8 2.665 -2.679 3.477 1.00 0.00 H new ATOM 0 HA LYS A 8 4.468 -4.314 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.962 -5.768 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.796 -4.226 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.446 -3.711 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.894 -5.328 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.117 -4.028 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.310 -4.329 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.126 -2.152 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.545 -1.885 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.250 -0.658 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.569 -1.830 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.101 -2.088 7.384 1.00 0.00 H new ATOM 129 N PHE A 9 2.754 -6.095 2.056 1.00 0.00 N ATOM 130 CA PHE A 9 1.650 -7.013 1.912 1.00 0.00 C ATOM 131 C PHE A 9 2.074 -8.367 2.445 1.00 0.00 C ATOM 132 O PHE A 9 2.614 -9.199 1.721 1.00 0.00 O ATOM 133 CB PHE A 9 1.165 -7.095 0.456 1.00 0.00 C ATOM 134 CG PHE A 9 2.060 -6.428 -0.527 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.354 -6.832 -0.629 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.607 -5.407 -1.341 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.208 -6.247 -1.519 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.455 -4.809 -2.244 1.00 0.00 C ATOM 139 CZ PHE A 9 3.763 -5.230 -2.332 1.00 0.00 C ATOM 0 H PHE A 9 3.597 -6.369 1.552 1.00 0.00 H new ATOM 0 HA PHE A 9 0.800 -6.651 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.059 -8.144 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.174 -6.646 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.713 -7.629 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.581 -5.077 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.233 -6.582 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.097 -4.013 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.437 -4.764 -3.036 1.00 0.00 H new ATOM 149 N PRO A 10 1.893 -8.524 3.765 1.00 0.00 N ATOM 150 CA PRO A 10 2.158 -9.730 4.541 1.00 0.00 C ATOM 151 C PRO A 10 2.168 -11.033 3.749 1.00 0.00 C ATOM 152 O PRO A 10 1.122 -11.653 3.573 1.00 0.00 O ATOM 153 CB PRO A 10 0.945 -9.709 5.449 1.00 0.00 C ATOM 154 CG PRO A 10 0.699 -8.259 5.744 1.00 0.00 C ATOM 155 CD PRO A 10 1.379 -7.476 4.656 1.00 0.00 C ATOM 0 HA PRO A 10 3.147 -9.716 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.082 -10.164 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.129 -10.271 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.369 -8.044 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.098 -7.990 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.683 -6.814 4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.181 -6.852 5.049 1.00 0.00 H new ATOM 163 N LEU A 11 3.362 -11.499 3.380 1.00 0.00 N ATOM 164 CA LEU A 11 3.511 -12.666 2.503 1.00 0.00 C ATOM 165 C LEU A 11 3.068 -13.941 3.226 1.00 0.00 C ATOM 166 O LEU A 11 2.953 -15.013 2.632 1.00 0.00 O ATOM 167 CB LEU A 11 4.974 -12.766 2.012 1.00 0.00 C ATOM 168 CG LEU A 11 5.940 -13.659 2.811 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.349 -13.537 2.255 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.948 -13.293 4.280 1.00 0.00 C ATOM 0 H LEU A 11 4.246 -11.085 3.676 1.00 0.00 H new ATOM 0 HA LEU A 11 2.868 -12.548 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.958 -13.126 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.390 -11.759 1.990 1.00 0.00 H new ATOM 0 HG LEU A 11 5.592 -14.688 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.023 -14.173 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.356 -13.849 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.680 -12.501 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.641 -13.944 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.263 -12.256 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.946 -13.416 4.691 1.00 0.00 H new ATOM 182 N SER A 12 2.808 -13.785 4.509 1.00 0.00 N ATOM 183 CA SER A 12 2.460 -14.877 5.385 1.00 0.00 C ATOM 184 C SER A 12 0.955 -14.957 5.653 1.00 0.00 C ATOM 185 O SER A 12 0.498 -15.879 6.327 1.00 0.00 O ATOM 186 CB SER A 12 3.189 -14.664 6.704 1.00 0.00 C ATOM 187 OG SER A 12 4.585 -14.860 6.561 1.00 0.00 O ATOM 0 H SER A 12 2.834 -12.879 4.976 1.00 0.00 H new ATOM 0 HA SER A 12 2.751 -15.811 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.997 -13.655 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.798 -15.353 7.453 1.00 0.00 H new ATOM 0 HG SER A 12 5.026 -14.715 7.424 1.00 0.00 H new ATOM 193 N VAL A 13 0.179 -14.003 5.141 1.00 0.00 N ATOM 194 CA VAL A 13 -1.222 -13.914 5.522 1.00 0.00 C ATOM 195 C VAL A 13 -2.111 -13.797 4.300 1.00 0.00 C ATOM 196 O VAL A 13 -1.665 -13.950 3.158 1.00 0.00 O ATOM 197 CB VAL A 13 -1.484 -12.711 6.481 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.345 -12.536 7.465 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.729 -11.415 5.716 1.00 0.00 C ATOM 0 H VAL A 13 0.491 -13.296 4.475 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.466 -14.834 6.053 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.391 -12.944 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.556 -11.690 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.239 -13.441 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.581 -12.351 6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.907 -10.604 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.856 -11.181 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.600 -11.532 5.071 1.00 0.00 H new ATOM 209 N ASP A 14 -3.368 -13.534 4.568 1.00 0.00 N ATOM 210 CA ASP A 14 -4.367 -13.299 3.543 1.00 0.00 C ATOM 211 C ASP A 14 -4.203 -11.890 2.984 1.00 0.00 C ATOM 212 O ASP A 14 -5.093 -11.037 3.075 1.00 0.00 O ATOM 213 CB ASP A 14 -5.750 -13.492 4.153 1.00 0.00 C ATOM 214 CG ASP A 14 -6.862 -13.492 3.122 1.00 0.00 C ATOM 215 OD1 ASP A 14 -7.150 -14.561 2.554 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.464 -12.421 2.890 1.00 0.00 O ATOM 0 H ASP A 14 -3.735 -13.476 5.518 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.243 -14.004 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.771 -14.434 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.935 -12.699 4.877 1.00 0.00 H new ATOM 221 N LEU A 15 -3.028 -11.648 2.427 1.00 0.00 N ATOM 222 CA LEU A 15 -2.680 -10.362 1.876 1.00 0.00 C ATOM 223 C LEU A 15 -3.560 -9.984 0.704 1.00 0.00 C ATOM 224 O LEU A 15 -3.627 -8.828 0.364 1.00 0.00 O ATOM 225 CB LEU A 15 -1.222 -10.357 1.446 1.00 0.00 C ATOM 226 CG LEU A 15 -0.678 -11.701 0.967 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.319 -12.130 -0.336 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.801 -11.612 0.781 1.00 0.00 C ATOM 0 H LEU A 15 -2.289 -12.347 2.347 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.838 -9.621 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.099 -9.628 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.614 -10.016 2.284 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.917 -12.445 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.907 -13.090 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.396 -12.225 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.116 -11.384 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.183 -12.574 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.029 -10.847 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.272 -11.350 1.729 1.00 0.00 H new ATOM 240 N ALA A 16 -4.240 -10.945 0.094 1.00 0.00 N ATOM 241 CA ALA A 16 -5.093 -10.657 -1.062 1.00 0.00 C ATOM 242 C ALA A 16 -6.075 -9.532 -0.755 1.00 0.00 C ATOM 243 O ALA A 16 -6.551 -8.844 -1.657 1.00 0.00 O ATOM 244 CB ALA A 16 -5.827 -11.914 -1.496 1.00 0.00 C ATOM 0 H ALA A 16 -4.222 -11.926 0.374 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.458 -10.324 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.458 -11.688 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.103 -12.682 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.447 -12.275 -0.675 1.00 0.00 H new ATOM 250 N GLY A 17 -6.347 -9.331 0.525 1.00 0.00 N ATOM 251 CA GLY A 17 -7.141 -8.204 0.936 1.00 0.00 C ATOM 252 C GLY A 17 -6.385 -6.888 0.820 1.00 0.00 C ATOM 253 O GLY A 17 -6.954 -5.887 0.398 1.00 0.00 O ATOM 0 H GLY A 17 -6.029 -9.933 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.043 -8.157 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.462 -8.346 1.968 1.00 0.00 H new ATOM 257 N PHE A 18 -5.101 -6.874 1.187 1.00 0.00 N ATOM 258 CA PHE A 18 -4.335 -5.630 1.164 1.00 0.00 C ATOM 259 C PHE A 18 -3.536 -5.473 -0.123 1.00 0.00 C ATOM 260 O PHE A 18 -3.563 -4.408 -0.730 1.00 0.00 O ATOM 261 CB PHE A 18 -3.387 -5.501 2.344 1.00 0.00 C ATOM 262 CG PHE A 18 -2.984 -4.067 2.593 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.504 -3.043 1.804 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.107 -3.738 3.613 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.154 -1.732 2.026 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.751 -2.419 3.834 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.275 -1.417 3.037 1.00 0.00 C ATOM 0 H PHE A 18 -4.580 -7.694 1.498 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.081 -4.838 1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.864 -5.904 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.496 -6.101 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.192 -3.283 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.698 -4.516 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.569 -0.950 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.064 -2.172 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.994 -0.388 3.208 1.00 0.00 H new ATOM 277 N VAL A 19 -2.810 -6.508 -0.544 1.00 0.00 N ATOM 278 CA VAL A 19 -2.099 -6.423 -1.808 1.00 0.00 C ATOM 279 C VAL A 19 -3.128 -6.147 -2.849 1.00 0.00 C ATOM 280 O VAL A 19 -2.910 -5.368 -3.740 1.00 0.00 O ATOM 281 CB VAL A 19 -1.412 -7.722 -2.260 1.00 0.00 C ATOM 282 CG1 VAL A 19 -0.162 -7.459 -3.076 1.00 0.00 C ATOM 283 CG2 VAL A 19 -1.154 -8.601 -1.110 1.00 0.00 C ATOM 0 H VAL A 19 -2.703 -7.389 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.326 -5.666 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.098 -8.244 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.286 -8.408 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.423 -6.888 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.551 -6.892 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.667 -9.514 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.506 -8.089 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.097 -8.852 -0.625 1.00 0.00 H new ATOM 293 N GLY A 20 -4.283 -6.780 -2.660 1.00 0.00 N ATOM 294 CA GLY A 20 -5.402 -6.592 -3.539 1.00 0.00 C ATOM 295 C GLY A 20 -5.941 -5.210 -3.394 1.00 0.00 C ATOM 296 O GLY A 20 -6.379 -4.624 -4.356 1.00 0.00 O ATOM 0 H GLY A 20 -4.455 -7.431 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.097 -6.765 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.180 -7.320 -3.310 1.00 0.00 H new ATOM 300 N LEU A 21 -5.823 -4.659 -2.205 1.00 0.00 N ATOM 301 CA LEU A 21 -6.365 -3.336 -1.934 1.00 0.00 C ATOM 302 C LEU A 21 -5.702 -2.282 -2.826 1.00 0.00 C ATOM 303 O LEU A 21 -6.388 -1.509 -3.489 1.00 0.00 O ATOM 304 CB LEU A 21 -6.208 -2.985 -0.452 1.00 0.00 C ATOM 305 CG LEU A 21 -6.914 -1.705 0.000 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.319 -1.810 1.463 1.00 0.00 C ATOM 307 CD2 LEU A 21 -6.017 -0.497 -0.209 1.00 0.00 C ATOM 0 H LEU A 21 -5.360 -5.101 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.430 -3.346 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.586 -3.817 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.145 -2.891 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.812 -1.579 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.820 -0.891 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.997 -2.654 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.431 -1.960 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.537 0.403 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.102 -0.619 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.768 -0.408 -1.266 1.00 0.00 H new ATOM 319 N LEU A 22 -4.375 -2.255 -2.868 1.00 0.00 N ATOM 320 CA LEU A 22 -3.694 -1.299 -3.727 1.00 0.00 C ATOM 321 C LEU A 22 -3.505 -1.847 -5.141 1.00 0.00 C ATOM 322 O LEU A 22 -3.305 -1.091 -6.110 1.00 0.00 O ATOM 323 CB LEU A 22 -2.378 -0.791 -3.142 1.00 0.00 C ATOM 324 CG LEU A 22 -1.376 -1.774 -2.506 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.693 -2.026 -1.044 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.286 -3.080 -3.250 1.00 0.00 C ATOM 0 H LEU A 22 -3.763 -2.869 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.351 -0.431 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.852 -0.266 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.628 -0.050 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.401 -1.292 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.966 -2.724 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.648 -1.086 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.693 -2.450 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.565 -3.731 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.264 -3.562 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.964 -2.894 -4.274 1.00 0.00 H new ATOM 338 N ARG A 23 -3.524 -3.170 -5.232 1.00 0.00 N ATOM 339 CA ARG A 23 -3.625 -3.886 -6.506 1.00 0.00 C ATOM 340 C ARG A 23 -4.770 -3.289 -7.291 1.00 0.00 C ATOM 341 O ARG A 23 -4.727 -3.143 -8.509 1.00 0.00 O ATOM 342 CB ARG A 23 -3.972 -5.334 -6.199 1.00 0.00 C ATOM 343 CG ARG A 23 -3.135 -6.395 -6.871 1.00 0.00 C ATOM 344 CD ARG A 23 -1.732 -6.299 -6.376 1.00 0.00 C ATOM 345 NE ARG A 23 -0.755 -6.218 -7.461 1.00 0.00 N ATOM 346 CZ ARG A 23 0.493 -6.683 -7.364 1.00 0.00 C ATOM 347 NH1 ARG A 23 0.876 -7.323 -6.262 1.00 0.00 N ATOM 348 NH2 ARG A 23 1.336 -6.550 -8.379 1.00 0.00 N ATOM 0 H ARG A 23 -3.470 -3.785 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.693 -3.816 -7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.901 -5.478 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.014 -5.499 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.541 -7.384 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.161 -6.265 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.635 -5.420 -5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.509 -7.168 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.042 -5.783 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.217 -7.457 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.828 -7.680 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.032 -6.091 -9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.288 -6.907 -8.301 1.00 0.00 H new ATOM 362 N ARG A 24 -5.782 -2.935 -6.527 1.00 0.00 N ATOM 363 CA ARG A 24 -7.018 -2.389 -7.037 1.00 0.00 C ATOM 364 C ARG A 24 -6.858 -0.938 -7.446 1.00 0.00 C ATOM 365 O ARG A 24 -7.538 -0.464 -8.357 1.00 0.00 O ATOM 366 CB ARG A 24 -8.068 -2.512 -5.967 1.00 0.00 C ATOM 367 CG ARG A 24 -8.554 -3.934 -5.822 1.00 0.00 C ATOM 368 CD ARG A 24 -9.451 -4.095 -4.626 1.00 0.00 C ATOM 369 NE ARG A 24 -10.561 -3.148 -4.612 1.00 0.00 N ATOM 370 CZ ARG A 24 -11.789 -3.461 -4.211 1.00 0.00 C ATOM 371 NH1 ARG A 24 -12.056 -4.693 -3.787 1.00 0.00 N ATOM 372 NH2 ARG A 24 -12.743 -2.542 -4.221 1.00 0.00 N ATOM 0 H ARG A 24 -5.766 -3.022 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.313 -2.946 -7.927 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.661 -2.168 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.910 -1.862 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.092 -4.228 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.699 -4.603 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.847 -5.110 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.862 -3.969 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.385 -2.194 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.318 -5.397 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.998 -4.933 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.535 -1.595 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.685 -2.782 -3.913 1.00 0.00 H new ATOM 386 N LEU A 25 -5.943 -0.242 -6.778 1.00 0.00 N ATOM 387 CA LEU A 25 -5.728 1.170 -7.029 1.00 0.00 C ATOM 388 C LEU A 25 -5.262 1.395 -8.454 1.00 0.00 C ATOM 389 O LEU A 25 -5.921 2.074 -9.240 1.00 0.00 O ATOM 390 CB LEU A 25 -4.658 1.709 -6.093 1.00 0.00 C ATOM 391 CG LEU A 25 -4.418 3.211 -6.190 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.444 3.977 -5.371 1.00 0.00 C ATOM 393 CD2 LEU A 25 -3.005 3.544 -5.763 1.00 0.00 C ATOM 0 H LEU A 25 -5.339 -0.639 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.674 1.686 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.937 1.466 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.721 1.192 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.537 3.518 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.252 5.047 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.445 3.757 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.372 3.677 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.847 4.620 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.852 3.225 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.298 3.028 -6.412 1.00 0.00 H new ATOM 405 N ASN A 26 -4.132 0.766 -8.773 1.00 0.00 N ATOM 406 CA ASN A 26 -3.396 1.048 -9.996 1.00 0.00 C ATOM 407 C ASN A 26 -1.997 0.424 -9.934 1.00 0.00 C ATOM 408 O ASN A 26 -1.234 0.521 -10.892 1.00 0.00 O ATOM 409 CB ASN A 26 -3.287 2.573 -10.208 1.00 0.00 C ATOM 410 CG ASN A 26 -2.638 2.972 -11.524 1.00 0.00 C ATOM 411 OD1 ASN A 26 -3.295 3.016 -12.564 1.00 0.00 O ATOM 412 ND2 ASN A 26 -1.359 3.313 -11.480 1.00 0.00 N ATOM 0 H ASN A 26 -3.704 0.048 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.935 0.611 -10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.285 3.008 -10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.713 3.003 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.885 3.625 -12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.848 3.263 -10.599 1.00 0.00 H new ATOM 419 N VAL A 27 -1.699 -0.256 -8.813 1.00 0.00 N ATOM 420 CA VAL A 27 -0.408 -0.936 -8.587 1.00 0.00 C ATOM 421 C VAL A 27 0.785 -0.216 -9.250 1.00 0.00 C ATOM 422 O VAL A 27 1.450 -0.728 -10.153 1.00 0.00 O ATOM 423 CB VAL A 27 -0.481 -2.431 -9.018 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.797 -2.582 -10.501 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.798 -3.177 -8.674 1.00 0.00 C ATOM 0 H VAL A 27 -2.349 -0.351 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.223 -0.895 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.300 -2.876 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.838 -3.640 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.759 -2.118 -10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.019 -2.096 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.709 -4.216 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.640 -2.712 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.964 -3.138 -7.597 1.00 0.00 H new ATOM 435 N PRO A 28 1.060 1.002 -8.773 1.00 0.00 N ATOM 436 CA PRO A 28 2.145 1.852 -9.277 1.00 0.00 C ATOM 437 C PRO A 28 3.414 1.767 -8.433 1.00 0.00 C ATOM 438 O PRO A 28 4.199 2.710 -8.385 1.00 0.00 O ATOM 439 CB PRO A 28 1.522 3.222 -9.083 1.00 0.00 C ATOM 440 CG PRO A 28 0.856 3.088 -7.753 1.00 0.00 C ATOM 441 CD PRO A 28 0.289 1.696 -7.724 1.00 0.00 C ATOM 0 HA PRO A 28 2.459 1.588 -10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.272 4.013 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.809 3.459 -9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.568 3.238 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.071 3.834 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.421 1.227 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.780 1.691 -7.938 1.00 0.00 H new ATOM 449 N HIS A 29 3.622 0.639 -7.779 1.00 0.00 N ATOM 450 CA HIS A 29 4.594 0.579 -6.691 1.00 0.00 C ATOM 451 C HIS A 29 5.701 -0.428 -6.926 1.00 0.00 C ATOM 452 O HIS A 29 5.694 -1.177 -7.901 1.00 0.00 O ATOM 453 CB HIS A 29 3.888 0.231 -5.382 1.00 0.00 C ATOM 454 CG HIS A 29 3.077 -1.031 -5.451 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.700 -1.046 -5.409 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.461 -2.326 -5.551 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.276 -2.296 -5.482 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.324 -3.093 -5.569 1.00 0.00 N ATOM 0 H HIS A 29 3.141 -0.239 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 29 5.054 1.566 -6.641 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.633 0.131 -4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.235 1.057 -5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.477 -2.688 -5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.243 -2.612 -5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.294 -4.110 -5.638 1.00 0.00 H new ATOM 467 N ARG A 30 6.647 -0.433 -5.999 1.00 0.00 N ATOM 468 CA ARG A 30 7.686 -1.446 -5.964 1.00 0.00 C ATOM 469 C ARG A 30 7.333 -2.535 -4.955 1.00 0.00 C ATOM 470 O ARG A 30 6.945 -2.234 -3.827 1.00 0.00 O ATOM 471 CB ARG A 30 9.024 -0.810 -5.590 1.00 0.00 C ATOM 472 CG ARG A 30 10.133 -1.825 -5.395 1.00 0.00 C ATOM 473 CD ARG A 30 11.370 -1.210 -4.756 1.00 0.00 C ATOM 474 NE ARG A 30 11.884 -0.079 -5.519 1.00 0.00 N ATOM 475 CZ ARG A 30 12.943 0.640 -5.156 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.685 0.263 -4.119 1.00 0.00 N ATOM 477 NH2 ARG A 30 13.290 1.708 -5.859 1.00 0.00 N ATOM 0 H ARG A 30 6.715 0.261 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 30 7.766 -1.895 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.316 -0.108 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.902 -0.234 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.771 -2.641 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.401 -2.257 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.129 -0.883 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.147 -1.970 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 30 11.403 0.176 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.443 -0.580 -3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.496 0.817 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.745 1.979 -6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.102 2.260 -5.581 1.00 0.00 H new ATOM 491 N VAL A 31 7.427 -3.787 -5.386 1.00 0.00 N ATOM 492 CA VAL A 31 7.285 -4.933 -4.501 1.00 0.00 C ATOM 493 C VAL A 31 8.646 -5.549 -4.223 1.00 0.00 C ATOM 494 O VAL A 31 9.424 -5.819 -5.135 1.00 0.00 O ATOM 495 CB VAL A 31 6.362 -6.017 -5.100 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.294 -7.251 -4.195 1.00 0.00 C ATOM 497 CG2 VAL A 31 4.978 -5.447 -5.348 1.00 0.00 C ATOM 0 H VAL A 31 7.604 -4.035 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 31 6.835 -4.570 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 31 6.782 -6.335 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.637 -7.996 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.293 -7.672 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.904 -6.965 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.336 -6.220 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.554 -5.098 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.048 -4.613 -6.046 1.00 0.00 H new ATOM 507 N SER A 32 8.925 -5.741 -2.957 1.00 0.00 N ATOM 508 CA SER A 32 10.136 -6.400 -2.514 1.00 0.00 C ATOM 509 C SER A 32 9.784 -7.329 -1.362 1.00 0.00 C ATOM 510 O SER A 32 8.612 -7.623 -1.149 1.00 0.00 O ATOM 511 CB SER A 32 11.160 -5.349 -2.073 1.00 0.00 C ATOM 512 OG SER A 32 11.457 -4.450 -3.131 1.00 0.00 O ATOM 0 H SER A 32 8.315 -5.443 -2.196 1.00 0.00 H new ATOM 0 HA SER A 32 10.574 -6.982 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.772 -4.795 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.074 -5.843 -1.744 1.00 0.00 H new ATOM 0 HG SER A 32 12.111 -3.788 -2.824 1.00 0.00 H new ATOM 518 N GLU A 33 10.777 -7.820 -0.645 1.00 0.00 N ATOM 519 CA GLU A 33 10.533 -8.569 0.552 1.00 0.00 C ATOM 520 C GLU A 33 11.420 -8.041 1.679 1.00 0.00 C ATOM 521 O GLU A 33 12.653 -8.128 1.614 1.00 0.00 O ATOM 522 CB GLU A 33 10.762 -10.059 0.293 1.00 0.00 C ATOM 523 CG GLU A 33 10.344 -10.911 1.457 1.00 0.00 C ATOM 524 CD GLU A 33 11.459 -11.183 2.441 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.268 -12.099 2.190 1.00 0.00 O ATOM 526 OE2 GLU A 33 11.542 -10.480 3.466 1.00 0.00 O ATOM 0 H GLU A 33 11.763 -7.707 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 33 9.495 -8.447 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.205 -10.361 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.817 -10.231 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.522 -10.420 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.962 -11.861 1.082 1.00 0.00 H new ATOM 533 N GLU A 34 10.784 -7.475 2.696 1.00 0.00 N ATOM 534 CA GLU A 34 11.495 -6.904 3.833 1.00 0.00 C ATOM 535 C GLU A 34 11.171 -7.644 5.123 1.00 0.00 C ATOM 536 O GLU A 34 10.030 -7.628 5.586 1.00 0.00 O ATOM 537 CB GLU A 34 11.162 -5.419 4.002 1.00 0.00 C ATOM 538 CG GLU A 34 12.000 -4.503 3.131 1.00 0.00 C ATOM 539 CD GLU A 34 13.478 -4.584 3.455 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.851 -4.317 4.619 1.00 0.00 O ATOM 541 OE2 GLU A 34 14.273 -4.900 2.548 1.00 0.00 O ATOM 0 H GLU A 34 9.769 -7.399 2.757 1.00 0.00 H new ATOM 0 HA GLU A 34 12.560 -7.011 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.109 -5.263 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.302 -5.141 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.846 -4.763 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.660 -3.475 3.258 1.00 0.00 H new ATOM 548 N SER A 35 12.184 -8.321 5.666 1.00 0.00 N ATOM 549 CA SER A 35 12.128 -8.921 7.002 1.00 0.00 C ATOM 550 C SER A 35 11.107 -10.060 7.110 1.00 0.00 C ATOM 551 O SER A 35 10.848 -10.568 8.204 1.00 0.00 O ATOM 552 CB SER A 35 11.828 -7.835 8.040 1.00 0.00 C ATOM 553 OG SER A 35 12.788 -6.790 7.963 1.00 0.00 O ATOM 0 H SER A 35 13.073 -8.470 5.189 1.00 0.00 H new ATOM 0 HA SER A 35 13.104 -9.366 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.829 -7.431 7.874 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.834 -8.269 9.040 1.00 0.00 H new ATOM 0 HG SER A 35 12.580 -6.105 8.632 1.00 0.00 H new ATOM 559 N GLY A 36 10.539 -10.465 5.986 1.00 0.00 N ATOM 560 CA GLY A 36 9.589 -11.542 5.987 1.00 0.00 C ATOM 561 C GLY A 36 8.210 -11.033 5.700 1.00 0.00 C ATOM 562 O GLY A 36 7.218 -11.554 6.203 1.00 0.00 O ATOM 0 H GLY A 36 10.725 -10.060 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.871 -12.283 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.602 -12.044 6.954 1.00 0.00 H new ATOM 566 N GLN A 37 8.159 -9.966 4.930 1.00 0.00 N ATOM 567 CA GLN A 37 6.932 -9.460 4.388 1.00 0.00 C ATOM 568 C GLN A 37 7.211 -9.056 2.971 1.00 0.00 C ATOM 569 O GLN A 37 8.281 -8.535 2.690 1.00 0.00 O ATOM 570 CB GLN A 37 6.434 -8.238 5.173 1.00 0.00 C ATOM 571 CG GLN A 37 6.190 -8.514 6.638 1.00 0.00 C ATOM 572 CD GLN A 37 5.062 -7.673 7.184 1.00 0.00 C ATOM 573 OE1 GLN A 37 5.277 -6.602 7.747 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.842 -8.133 6.977 1.00 0.00 N ATOM 0 H GLN A 37 8.982 -9.425 4.665 1.00 0.00 H new ATOM 0 HA GLN A 37 6.160 -10.227 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.166 -7.435 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.509 -7.880 4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.956 -9.570 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.100 -8.313 7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.707 -9.027 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.034 -7.594 7.289 1.00 0.00 H new ATOM 583 N GLN A 38 6.295 -9.303 2.068 1.00 0.00 N ATOM 584 CA GLN A 38 6.398 -8.667 0.795 1.00 0.00 C ATOM 585 C GLN A 38 6.133 -7.221 1.070 1.00 0.00 C ATOM 586 O GLN A 38 5.242 -6.914 1.841 1.00 0.00 O ATOM 587 CB GLN A 38 5.364 -9.197 -0.179 1.00 0.00 C ATOM 588 CG GLN A 38 5.440 -10.680 -0.463 1.00 0.00 C ATOM 589 CD GLN A 38 4.146 -11.166 -1.075 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.132 -12.054 -1.928 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.037 -10.620 -0.583 1.00 0.00 N ATOM 0 H GLN A 38 5.494 -9.923 2.191 1.00 0.00 H new ATOM 0 HA GLN A 38 7.373 -8.846 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.372 -8.970 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.467 -8.658 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.269 -10.885 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.640 -11.224 0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.100 -9.887 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.124 -10.935 -0.912 1.00 0.00 H new ATOM 600 N VAL A 39 6.909 -6.336 0.521 1.00 0.00 N ATOM 601 CA VAL A 39 6.789 -4.961 0.915 1.00 0.00 C ATOM 602 C VAL A 39 6.742 -4.048 -0.281 1.00 0.00 C ATOM 603 O VAL A 39 7.297 -4.331 -1.331 1.00 0.00 O ATOM 604 CB VAL A 39 7.893 -4.574 1.904 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.822 -5.508 3.061 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.231 -4.611 1.264 1.00 0.00 C ATOM 0 H VAL A 39 7.618 -6.532 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 39 5.839 -4.840 1.435 1.00 0.00 H new ATOM 0 HB VAL A 39 7.742 -3.549 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.599 -5.254 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.845 -5.425 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.970 -6.530 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.991 -4.331 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.432 -5.618 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.254 -3.911 0.429 1.00 0.00 H new ATOM 616 N LEU A 40 6.054 -2.967 -0.094 1.00 0.00 N ATOM 617 CA LEU A 40 5.656 -2.084 -1.148 1.00 0.00 C ATOM 618 C LEU A 40 6.205 -0.696 -0.871 1.00 0.00 C ATOM 619 O LEU A 40 6.135 -0.192 0.254 1.00 0.00 O ATOM 620 CB LEU A 40 4.136 -2.137 -1.184 1.00 0.00 C ATOM 621 CG LEU A 40 3.401 -1.235 -2.186 1.00 0.00 C ATOM 622 CD1 LEU A 40 1.916 -1.534 -2.148 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.629 0.239 -1.902 1.00 0.00 C ATOM 0 H LEU A 40 5.742 -2.663 0.828 1.00 0.00 H new ATOM 0 HA LEU A 40 6.048 -2.370 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.844 -3.167 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.771 -1.893 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 40 3.803 -1.448 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.397 -0.892 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.748 -2.578 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.533 -1.347 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.090 0.839 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.266 0.477 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.694 0.461 -1.964 1.00 0.00 H new ATOM 635 N TRP A 41 6.771 -0.090 -1.899 1.00 0.00 N ATOM 636 CA TRP A 41 7.469 1.165 -1.738 1.00 0.00 C ATOM 637 C TRP A 41 6.963 2.174 -2.766 1.00 0.00 C ATOM 638 O TRP A 41 7.317 2.064 -3.942 1.00 0.00 O ATOM 639 CB TRP A 41 8.997 0.994 -1.964 1.00 0.00 C ATOM 640 CG TRP A 41 9.588 -0.271 -1.415 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.024 -1.494 -1.472 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.861 -0.456 -0.781 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.804 -2.416 -0.874 1.00 0.00 N ATOM 644 CE2 TRP A 41 10.944 -1.817 -0.443 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.925 0.382 -0.446 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.031 -2.363 0.211 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.020 -0.163 0.200 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.065 -1.526 0.528 1.00 0.00 C ATOM 0 H TRP A 41 6.759 -0.450 -2.853 1.00 0.00 H new ATOM 0 HA TRP A 41 7.285 1.512 -0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.196 1.034 -3.035 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.512 1.842 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.072 -1.707 -1.936 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.575 -3.404 -0.763 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.894 1.435 -0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.063 -3.413 0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.855 0.472 0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.930 -1.921 1.039 1.00 0.00 H new ATOM 659 N VAL A 42 6.098 3.105 -2.372 1.00 0.00 N ATOM 660 CA VAL A 42 5.827 4.251 -3.253 1.00 0.00 C ATOM 661 C VAL A 42 5.721 5.648 -2.597 1.00 0.00 C ATOM 662 O VAL A 42 5.213 6.558 -3.250 1.00 0.00 O ATOM 663 CB VAL A 42 4.563 4.076 -4.116 1.00 0.00 C ATOM 664 CG1 VAL A 42 4.923 3.499 -5.464 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.528 3.212 -3.421 1.00 0.00 C ATOM 0 H VAL A 42 5.589 3.099 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 42 6.738 4.238 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 42 4.120 5.061 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.020 3.381 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.612 4.171 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.398 2.527 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.650 3.111 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.950 2.226 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.239 3.677 -2.479 1.00 0.00 H new ATOM 675 N PRO A 43 6.146 5.896 -1.341 1.00 0.00 N ATOM 676 CA PRO A 43 6.121 7.243 -0.792 1.00 0.00 C ATOM 677 C PRO A 43 7.489 7.928 -0.766 1.00 0.00 C ATOM 678 O PRO A 43 8.376 7.634 -1.567 1.00 0.00 O ATOM 679 CB PRO A 43 5.708 6.917 0.616 1.00 0.00 C ATOM 680 CG PRO A 43 6.594 5.788 0.946 1.00 0.00 C ATOM 681 CD PRO A 43 6.591 4.952 -0.301 1.00 0.00 C ATOM 0 HA PRO A 43 5.493 7.929 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.856 7.761 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.656 6.640 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.599 6.128 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.224 5.227 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.581 4.551 -0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.915 4.102 -0.214 1.00 0.00 H new ATOM 689 N ASP A 44 7.631 8.811 0.213 1.00 0.00 N ATOM 690 CA ASP A 44 8.869 9.542 0.467 1.00 0.00 C ATOM 691 C ASP A 44 9.142 9.564 1.969 1.00 0.00 C ATOM 692 O ASP A 44 10.075 8.928 2.446 1.00 0.00 O ATOM 693 CB ASP A 44 8.800 10.976 -0.073 1.00 0.00 C ATOM 694 CG ASP A 44 9.055 11.067 -1.566 1.00 0.00 C ATOM 695 OD1 ASP A 44 8.098 10.926 -2.347 1.00 0.00 O ATOM 696 OD2 ASP A 44 10.221 11.306 -1.962 1.00 0.00 O ATOM 0 H ASP A 44 6.880 9.044 0.863 1.00 0.00 H new ATOM 0 HA ASP A 44 9.680 9.032 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.817 11.393 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.532 11.590 0.452 1.00 0.00 H new ATOM 701 N GLU A 45 8.313 10.287 2.720 1.00 0.00 N ATOM 702 CA GLU A 45 8.406 10.268 4.177 1.00 0.00 C ATOM 703 C GLU A 45 7.059 10.586 4.820 1.00 0.00 C ATOM 704 O GLU A 45 6.499 9.752 5.527 1.00 0.00 O ATOM 705 CB GLU A 45 9.484 11.232 4.674 1.00 0.00 C ATOM 706 CG GLU A 45 9.659 11.214 6.185 1.00 0.00 C ATOM 707 CD GLU A 45 10.930 11.900 6.633 1.00 0.00 C ATOM 708 OE1 GLU A 45 11.018 13.141 6.513 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.848 11.203 7.111 1.00 0.00 O ATOM 0 H GLU A 45 7.577 10.887 2.348 1.00 0.00 H new ATOM 0 HA GLU A 45 8.692 9.259 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.433 10.978 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.231 12.244 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.803 11.702 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.666 10.181 6.534 1.00 0.00 H new ATOM 716 N ARG A 46 6.532 11.782 4.585 1.00 0.00 N ATOM 717 CA ARG A 46 5.199 12.115 5.075 1.00 0.00 C ATOM 718 C ARG A 46 4.177 11.358 4.236 1.00 0.00 C ATOM 719 O ARG A 46 3.127 10.938 4.717 1.00 0.00 O ATOM 720 CB ARG A 46 4.937 13.628 5.015 1.00 0.00 C ATOM 721 CG ARG A 46 4.423 14.132 3.671 1.00 0.00 C ATOM 722 CD ARG A 46 2.908 14.310 3.684 1.00 0.00 C ATOM 723 NE ARG A 46 2.515 15.667 4.063 1.00 0.00 N ATOM 724 CZ ARG A 46 1.603 15.961 4.993 1.00 0.00 C ATOM 725 NH1 ARG A 46 1.078 15.006 5.751 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.239 17.225 5.174 1.00 0.00 N ATOM 0 H ARG A 46 6.998 12.527 4.067 1.00 0.00 H new ATOM 0 HA ARG A 46 5.117 11.822 6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.213 13.889 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.861 14.153 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.900 15.082 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.701 13.428 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.508 14.080 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.466 13.598 4.380 1.00 0.00 H new ATOM 0 HE ARG A 46 2.970 16.444 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.371 14.037 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.382 15.241 6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.655 17.962 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.543 17.459 5.882 1.00 0.00 H new ATOM 740 N LEU A 47 4.531 11.172 2.969 1.00 0.00 N ATOM 741 CA LEU A 47 3.687 10.482 2.010 1.00 0.00 C ATOM 742 C LEU A 47 3.509 9.025 2.423 1.00 0.00 C ATOM 743 O LEU A 47 2.480 8.426 2.169 1.00 0.00 O ATOM 744 CB LEU A 47 4.322 10.578 0.616 1.00 0.00 C ATOM 745 CG LEU A 47 3.362 10.432 -0.566 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.044 10.865 -1.855 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.892 8.998 -0.682 1.00 0.00 C ATOM 0 H LEU A 47 5.416 11.498 2.580 1.00 0.00 H new ATOM 0 HA LEU A 47 2.703 10.950 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.826 11.541 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.089 9.808 0.533 1.00 0.00 H new ATOM 0 HG LEU A 47 2.497 11.073 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.350 10.756 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.351 11.908 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.921 10.242 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.209 8.906 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.751 8.345 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.377 8.709 0.234 1.00 0.00 H new ATOM 759 N ALA A 48 4.524 8.482 3.074 1.00 0.00 N ATOM 760 CA ALA A 48 4.526 7.092 3.542 1.00 0.00 C ATOM 761 C ALA A 48 3.202 6.712 4.202 1.00 0.00 C ATOM 762 O ALA A 48 2.584 5.675 3.899 1.00 0.00 O ATOM 763 CB ALA A 48 5.665 6.937 4.528 1.00 0.00 C ATOM 0 H ALA A 48 5.379 8.991 3.298 1.00 0.00 H new ATOM 0 HA ALA A 48 4.656 6.426 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.692 5.911 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.608 7.171 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.516 7.618 5.366 1.00 0.00 H new ATOM 769 N GLU A 49 2.755 7.605 5.058 1.00 0.00 N ATOM 770 CA GLU A 49 1.565 7.403 5.860 1.00 0.00 C ATOM 771 C GLU A 49 0.342 7.528 4.969 1.00 0.00 C ATOM 772 O GLU A 49 -0.593 6.737 5.042 1.00 0.00 O ATOM 773 CB GLU A 49 1.535 8.452 6.968 1.00 0.00 C ATOM 774 CG GLU A 49 2.882 8.621 7.652 1.00 0.00 C ATOM 775 CD GLU A 49 2.922 9.777 8.628 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.214 10.915 8.199 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.697 9.549 9.833 1.00 0.00 O ATOM 0 H GLU A 49 3.212 8.503 5.220 1.00 0.00 H new ATOM 0 HA GLU A 49 1.569 6.411 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.222 9.408 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.788 8.170 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.130 7.701 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.650 8.770 6.893 1.00 0.00 H new ATOM 784 N GLN A 50 0.406 8.502 4.085 1.00 0.00 N ATOM 785 CA GLN A 50 -0.645 8.768 3.133 1.00 0.00 C ATOM 786 C GLN A 50 -0.791 7.601 2.160 1.00 0.00 C ATOM 787 O GLN A 50 -1.880 7.333 1.656 1.00 0.00 O ATOM 788 CB GLN A 50 -0.313 10.085 2.404 1.00 0.00 C ATOM 789 CG GLN A 50 -0.342 10.019 0.882 1.00 0.00 C ATOM 790 CD GLN A 50 -1.712 10.301 0.296 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.831 10.822 -0.811 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.753 9.966 1.031 1.00 0.00 N ATOM 0 H GLN A 50 1.200 9.137 4.009 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.603 8.875 3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.019 10.848 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.678 10.413 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.372 10.738 0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.014 9.030 0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.614 9.535 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.697 10.137 0.686 1.00 0.00 H new ATOM 801 N VAL A 51 0.283 6.848 1.973 1.00 0.00 N ATOM 802 CA VAL A 51 0.341 5.922 0.873 1.00 0.00 C ATOM 803 C VAL A 51 -0.376 4.652 1.263 1.00 0.00 C ATOM 804 O VAL A 51 -1.294 4.235 0.598 1.00 0.00 O ATOM 805 CB VAL A 51 1.801 5.655 0.387 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.438 4.422 1.007 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.844 5.568 -1.130 1.00 0.00 C ATOM 0 H VAL A 51 1.113 6.865 2.566 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.165 6.366 0.016 1.00 0.00 H new ATOM 0 HB VAL A 51 2.394 6.504 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.450 4.302 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.474 4.537 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.847 3.541 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.868 5.382 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.203 4.753 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.493 6.507 -1.558 1.00 0.00 H new ATOM 817 N ARG A 52 -0.031 4.078 2.386 1.00 0.00 N ATOM 818 CA ARG A 52 -0.701 2.853 2.778 1.00 0.00 C ATOM 819 C ARG A 52 -2.035 3.175 3.413 1.00 0.00 C ATOM 820 O ARG A 52 -3.078 2.637 3.040 1.00 0.00 O ATOM 821 CB ARG A 52 0.128 2.063 3.774 1.00 0.00 C ATOM 822 CG ARG A 52 1.544 2.571 3.987 1.00 0.00 C ATOM 823 CD ARG A 52 2.059 2.081 5.319 1.00 0.00 C ATOM 824 NE ARG A 52 1.975 3.093 6.374 1.00 0.00 N ATOM 825 CZ ARG A 52 2.320 2.874 7.647 1.00 0.00 C ATOM 826 NH1 ARG A 52 2.826 1.701 8.010 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.148 3.825 8.560 1.00 0.00 N ATOM 0 H ARG A 52 0.683 4.419 3.030 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.842 2.254 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.389 2.064 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.178 1.027 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.192 2.221 3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.559 3.660 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.490 1.202 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.097 1.766 5.207 1.00 0.00 H new ATOM 0 HE ARG A 52 1.633 4.020 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.953 0.964 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.088 1.537 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.752 4.725 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.412 3.654 9.530 1.00 0.00 H new ATOM 841 N GLU A 53 -1.987 4.111 4.335 1.00 0.00 N ATOM 842 CA GLU A 53 -3.075 4.331 5.255 1.00 0.00 C ATOM 843 C GLU A 53 -4.196 5.116 4.628 1.00 0.00 C ATOM 844 O GLU A 53 -5.317 5.066 5.107 1.00 0.00 O ATOM 845 CB GLU A 53 -2.549 5.043 6.485 1.00 0.00 C ATOM 846 CG GLU A 53 -1.355 4.327 7.089 1.00 0.00 C ATOM 847 CD GLU A 53 -0.739 5.064 8.255 1.00 0.00 C ATOM 848 OE1 GLU A 53 -1.306 5.008 9.364 1.00 0.00 O ATOM 849 OE2 GLU A 53 0.326 5.686 8.073 1.00 0.00 O ATOM 0 H GLU A 53 -1.194 4.738 4.466 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.488 3.362 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.265 6.062 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.342 5.116 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.664 3.335 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.598 4.185 6.318 1.00 0.00 H new ATOM 856 N LEU A 54 -3.923 5.848 3.566 1.00 0.00 N ATOM 857 CA LEU A 54 -4.996 6.538 2.898 1.00 0.00 C ATOM 858 C LEU A 54 -5.391 5.805 1.645 1.00 0.00 C ATOM 859 O LEU A 54 -6.553 5.806 1.302 1.00 0.00 O ATOM 860 CB LEU A 54 -4.684 8.006 2.615 1.00 0.00 C ATOM 861 CG LEU A 54 -4.697 8.898 3.857 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.485 8.606 4.718 1.00 0.00 C ATOM 863 CD2 LEU A 54 -4.746 10.369 3.472 1.00 0.00 C ATOM 0 H LEU A 54 -2.996 5.976 3.161 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.844 6.544 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.704 8.073 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.410 8.389 1.898 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.596 8.677 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.503 9.246 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.502 7.561 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.577 8.801 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.754 10.981 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.870 10.618 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.649 10.564 2.893 1.00 0.00 H new ATOM 875 N TYR A 55 -4.461 5.111 0.994 1.00 0.00 N ATOM 876 CA TYR A 55 -4.824 4.321 -0.185 1.00 0.00 C ATOM 877 C TYR A 55 -5.893 3.324 0.198 1.00 0.00 C ATOM 878 O TYR A 55 -6.760 2.990 -0.594 1.00 0.00 O ATOM 879 CB TYR A 55 -3.625 3.579 -0.778 1.00 0.00 C ATOM 880 CG TYR A 55 -2.759 4.421 -1.698 1.00 0.00 C ATOM 881 CD1 TYR A 55 -2.877 5.804 -1.730 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.806 3.829 -2.518 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.079 6.572 -2.551 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.002 4.593 -3.342 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.144 5.963 -3.355 1.00 0.00 C ATOM 886 OH TYR A 55 -0.351 6.728 -4.177 1.00 0.00 O ATOM 0 H TYR A 55 -3.475 5.077 1.252 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.192 5.009 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.008 3.201 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.987 2.713 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.608 6.288 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.692 2.755 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.188 7.646 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.265 4.118 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 55 0.258 6.146 -4.679 1.00 0.00 H new ATOM 896 N ARG A 56 -5.847 2.908 1.452 1.00 0.00 N ATOM 897 CA ARG A 56 -6.768 1.918 1.971 1.00 0.00 C ATOM 898 C ARG A 56 -8.169 2.493 2.224 1.00 0.00 C ATOM 899 O ARG A 56 -9.078 1.749 2.581 1.00 0.00 O ATOM 900 CB ARG A 56 -6.187 1.339 3.258 1.00 0.00 C ATOM 901 CG ARG A 56 -6.474 2.188 4.476 1.00 0.00 C ATOM 902 CD ARG A 56 -5.529 1.868 5.629 1.00 0.00 C ATOM 903 NE ARG A 56 -5.406 0.430 5.873 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.529 -0.101 6.724 1.00 0.00 C ATOM 905 NH1 ARG A 56 -3.801 0.689 7.507 1.00 0.00 N ATOM 906 NH2 ARG A 56 -4.407 -1.419 6.814 1.00 0.00 N ATOM 0 H ARG A 56 -5.171 3.248 2.136 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.888 1.135 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.594 0.340 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.108 1.230 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.382 3.242 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.504 2.028 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.544 2.282 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.888 2.357 6.535 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.026 -0.200 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.914 1.701 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.130 0.283 8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.984 -2.026 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.736 -1.826 7.465 1.00 0.00 H new ATOM 920 N ARG A 57 -8.366 3.806 2.033 1.00 0.00 N ATOM 921 CA ARG A 57 -9.636 4.415 2.441 1.00 0.00 C ATOM 922 C ARG A 57 -10.052 5.643 1.620 1.00 0.00 C ATOM 923 O ARG A 57 -11.232 5.978 1.583 1.00 0.00 O ATOM 924 CB ARG A 57 -9.573 4.775 3.927 1.00 0.00 C ATOM 925 CG ARG A 57 -8.168 5.098 4.404 1.00 0.00 C ATOM 926 CD ARG A 57 -8.124 5.468 5.874 1.00 0.00 C ATOM 927 NE ARG A 57 -9.066 6.533 6.209 1.00 0.00 N ATOM 928 CZ ARG A 57 -9.577 6.726 7.426 1.00 0.00 C ATOM 929 NH1 ARG A 57 -9.248 5.927 8.431 1.00 0.00 N ATOM 930 NH2 ARG A 57 -10.437 7.713 7.633 1.00 0.00 N ATOM 0 H ARG A 57 -7.689 4.444 1.615 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.404 3.666 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.220 5.632 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.967 3.944 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.522 4.238 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.768 5.922 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.348 4.586 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.114 5.784 6.136 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.351 7.170 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.598 5.156 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.644 6.083 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.707 8.324 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.828 7.862 8.563 1.00 0.00 H new ATOM 944 N TYR A 58 -9.111 6.330 0.986 1.00 0.00 N ATOM 945 CA TYR A 58 -9.456 7.512 0.193 1.00 0.00 C ATOM 946 C TYR A 58 -9.141 7.330 -1.305 1.00 0.00 C ATOM 947 O TYR A 58 -10.047 7.374 -2.119 1.00 0.00 O ATOM 948 CB TYR A 58 -8.792 8.779 0.759 1.00 0.00 C ATOM 949 CG TYR A 58 -9.394 9.247 2.060 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.369 8.425 3.162 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.976 10.503 2.186 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.905 8.820 4.362 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.520 10.913 3.390 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.481 10.064 4.475 1.00 0.00 C ATOM 955 OH TYR A 58 -11.013 10.460 5.682 1.00 0.00 O ATOM 0 H TYR A 58 -8.118 6.098 1.001 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.536 7.638 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.730 8.586 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.870 9.580 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.918 7.447 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.004 11.166 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.875 8.157 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.971 11.890 3.479 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.381 11.364 5.597 1.00 0.00 H new ATOM 965 N PRO A 59 -7.864 7.190 -1.709 1.00 0.00 N ATOM 966 CA PRO A 59 -7.495 6.805 -3.086 1.00 0.00 C ATOM 967 C PRO A 59 -8.232 5.570 -3.633 1.00 0.00 C ATOM 968 O PRO A 59 -8.644 5.560 -4.795 1.00 0.00 O ATOM 969 CB PRO A 59 -6.004 6.531 -2.942 1.00 0.00 C ATOM 970 CG PRO A 59 -5.580 7.533 -1.946 1.00 0.00 C ATOM 971 CD PRO A 59 -6.663 7.519 -0.922 1.00 0.00 C ATOM 0 HA PRO A 59 -7.763 7.578 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.811 5.514 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.477 6.654 -3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.616 7.275 -1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.472 8.520 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.474 6.777 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.759 8.484 -0.424 1.00 0.00 H new ATOM 979 N GLU A 60 -8.397 4.535 -2.813 1.00 0.00 N ATOM 980 CA GLU A 60 -9.117 3.335 -3.243 1.00 0.00 C ATOM 981 C GLU A 60 -10.491 3.378 -2.631 1.00 0.00 C ATOM 982 O GLU A 60 -11.464 2.888 -3.199 1.00 0.00 O ATOM 983 CB GLU A 60 -8.354 2.062 -2.856 1.00 0.00 C ATOM 984 CG GLU A 60 -9.108 0.762 -3.072 1.00 0.00 C ATOM 985 CD GLU A 60 -9.603 0.557 -4.493 1.00 0.00 C ATOM 986 OE1 GLU A 60 -9.070 1.198 -5.422 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.534 -0.264 -4.680 1.00 0.00 O ATOM 0 H GLU A 60 -8.046 4.500 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.204 3.314 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.428 2.025 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.075 2.131 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.458 -0.071 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.961 0.733 -2.394 1.00 0.00 H new ATOM 994 N GLY A 61 -10.558 4.035 -1.491 1.00 0.00 N ATOM 995 CA GLY A 61 -11.824 4.444 -0.937 1.00 0.00 C ATOM 996 C GLY A 61 -12.362 5.658 -1.664 1.00 0.00 C ATOM 997 O GLY A 61 -13.002 6.540 -1.092 1.00 0.00 O ATOM 0 H GLY A 61 -9.746 4.296 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.539 3.625 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.706 4.672 0.122 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.040 5.710 -2.931 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.521 6.740 -3.822 1.00 0.00 C ATOM 1003 C ASP A 62 -13.880 6.299 -4.338 1.00 0.00 C ATOM 1004 O ASP A 62 -14.215 5.116 -4.211 1.00 0.00 O ATOM 1005 CB ASP A 62 -11.510 6.905 -4.972 1.00 0.00 C ATOM 1006 CG ASP A 62 -11.714 8.152 -5.812 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -11.388 9.258 -5.335 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -12.190 8.030 -6.958 1.00 0.00 O ATOM 0 H ASP A 62 -11.428 5.030 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.623 7.701 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.503 6.924 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.570 6.031 -5.621 1.00 0.00 H new ATOM 1013 N PRO A 63 -14.705 7.211 -4.881 1.00 0.00 N ATOM 1014 CA PRO A 63 -15.939 6.851 -5.591 1.00 0.00 C ATOM 1015 C PRO A 63 -15.754 5.661 -6.545 1.00 0.00 C ATOM 1016 O PRO A 63 -16.731 5.051 -6.980 1.00 0.00 O ATOM 1017 CB PRO A 63 -16.292 8.123 -6.380 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.228 9.129 -6.055 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.559 8.662 -4.794 1.00 0.00 C ATOM 0 HA PRO A 63 -16.718 6.534 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.322 7.921 -7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.277 8.494 -6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.507 9.206 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.662 10.120 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.512 8.963 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.042 9.066 -3.904 1.00 0.00 H new ATOM 1027 N GLN A 64 -14.497 5.351 -6.871 1.00 0.00 N ATOM 1028 CA GLN A 64 -14.169 4.180 -7.670 1.00 0.00 C ATOM 1029 C GLN A 64 -14.719 2.910 -7.035 1.00 0.00 C ATOM 1030 O GLN A 64 -15.539 2.217 -7.638 1.00 0.00 O ATOM 1031 CB GLN A 64 -12.654 4.009 -7.824 1.00 0.00 C ATOM 1032 CG GLN A 64 -11.922 5.266 -8.247 1.00 0.00 C ATOM 1033 CD GLN A 64 -10.462 5.011 -8.552 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -10.094 4.750 -9.698 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -9.622 5.070 -7.533 1.00 0.00 N ATOM 0 H GLN A 64 -13.687 5.903 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.623 4.339 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.241 3.665 -6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.462 3.227 -8.558 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.406 5.685 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.000 6.012 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.968 5.290 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.628 4.896 -7.681 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.271 2.591 -5.818 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.554 1.277 -5.269 1.00 0.00 C ATOM 1046 C ALA A 65 -14.692 1.234 -3.750 1.00 0.00 C ATOM 1047 O ALA A 65 -15.796 1.291 -3.206 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.452 0.334 -5.705 1.00 0.00 C ATOM 0 H ALA A 65 -13.727 3.208 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.529 0.979 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.644 -0.661 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.423 0.286 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.494 0.697 -5.332 1.00 0.00 H new ATOM 1054 N THR A 66 -13.554 1.133 -3.093 1.00 0.00 N ATOM 1055 CA THR A 66 -13.466 0.760 -1.692 1.00 0.00 C ATOM 1056 C THR A 66 -13.968 1.862 -0.748 1.00 0.00 C ATOM 1057 O THR A 66 -14.134 2.999 -1.160 1.00 0.00 O ATOM 1058 CB THR A 66 -11.990 0.379 -1.400 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.754 -0.978 -1.781 1.00 0.00 O ATOM 1060 CG2 THR A 66 -11.573 0.591 0.045 1.00 0.00 C ATOM 0 H THR A 66 -12.647 1.311 -3.524 1.00 0.00 H new ATOM 0 HA THR A 66 -14.123 -0.089 -1.504 1.00 0.00 H new ATOM 0 HB THR A 66 -11.377 1.056 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.380 -1.003 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.529 0.302 0.169 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.692 1.642 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.198 -0.019 0.697 1.00 0.00 H new ATOM 1068 N LEU A 67 -14.325 1.443 0.473 1.00 0.00 N ATOM 1069 CA LEU A 67 -14.478 2.301 1.654 1.00 0.00 C ATOM 1070 C LEU A 67 -14.599 1.415 2.866 1.00 0.00 C ATOM 1071 O LEU A 67 -13.657 1.198 3.623 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.736 3.181 1.635 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.708 4.339 0.677 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -16.984 5.165 0.772 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -14.490 5.171 0.987 1.00 0.00 C ATOM 0 H LEU A 67 -14.522 0.462 0.672 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.608 2.957 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.593 2.553 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.901 3.569 2.640 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.653 3.972 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.934 5.995 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.842 4.537 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.091 5.555 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.446 6.020 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.548 5.533 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.594 4.562 0.868 1.00 0.00 H new ATOM 1087 N GLU A 68 -15.785 0.863 2.979 1.00 0.00 N ATOM 1088 CA GLU A 68 -16.175 0.036 4.096 1.00 0.00 C ATOM 1089 C GLU A 68 -15.823 -1.414 3.803 1.00 0.00 C ATOM 1090 O GLU A 68 -15.916 -2.300 4.652 1.00 0.00 O ATOM 1091 CB GLU A 68 -17.678 0.228 4.319 1.00 0.00 C ATOM 1092 CG GLU A 68 -18.256 -0.594 5.450 1.00 0.00 C ATOM 1093 CD GLU A 68 -17.675 -0.239 6.802 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -18.006 0.842 7.340 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -16.883 -1.039 7.338 1.00 0.00 O ATOM 0 H GLU A 68 -16.521 0.979 2.282 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.644 0.319 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -17.871 1.282 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -18.204 -0.024 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -19.337 -0.453 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -18.077 -1.651 5.251 1.00 0.00 H new ATOM 1102 N ALA A 69 -15.392 -1.622 2.587 1.00 0.00 N ATOM 1103 CA ALA A 69 -14.990 -2.934 2.120 1.00 0.00 C ATOM 1104 C ALA A 69 -13.497 -3.142 2.286 1.00 0.00 C ATOM 1105 O ALA A 69 -12.992 -4.221 1.982 1.00 0.00 O ATOM 1106 CB ALA A 69 -15.351 -3.109 0.666 1.00 0.00 C ATOM 0 H ALA A 69 -15.307 -0.887 1.885 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.520 -3.672 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.042 -4.099 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.429 -3.004 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.843 -2.350 0.071 1.00 0.00 H new ATOM 1112 N ALA A 70 -12.796 -2.102 2.751 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.344 -2.166 2.920 1.00 0.00 C ATOM 1114 C ALA A 70 -10.964 -3.386 3.742 1.00 0.00 C ATOM 1115 O ALA A 70 -11.202 -3.439 4.952 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.810 -0.902 3.570 1.00 0.00 C ATOM 0 H ALA A 70 -13.211 -1.209 3.016 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.892 -2.251 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.729 -0.980 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.049 -0.042 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.268 -0.776 4.551 1.00 0.00 H new TER 1122 ALA A 70