USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 385 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 5 ASN : amide:sc= -1.84! C(o=-1.8!,f=-6.1!) USER MOD Single : A 9 MET CE :methyl 145:sc= -0.544 (180deg=-1.32) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -4.88! C(o=-4.9!,f=-16!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.2) USER MOD Single : A 38 SER OG : rot -128:sc= -6.77! USER MOD Single : A 49 SER OG : rot 127:sc= 1.27 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.329 6.170 6.372 1.00 0.00 N ATOM 2 CA PRO A 1 -7.104 6.508 4.977 1.00 0.00 C ATOM 3 C PRO A 1 -6.702 5.271 4.171 1.00 0.00 C ATOM 4 O PRO A 1 -7.515 4.713 3.436 1.00 0.00 O ATOM 5 CB PRO A 1 -6.023 7.578 5.000 1.00 0.00 C ATOM 6 CG PRO A 1 -5.357 7.467 6.361 1.00 0.00 C ATOM 7 CD PRO A 1 -6.244 6.607 7.246 1.00 0.00 C ATOM 0 H2 PRO A 1 -7.442 5.160 6.458 1.00 0.00 H new ATOM 0 H3 PRO A 1 -8.202 6.596 6.683 1.00 0.00 H new ATOM 0 HA PRO A 1 -8.003 6.879 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -5.301 7.422 4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -6.452 8.570 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.367 7.022 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.222 8.455 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -5.695 5.757 7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.624 7.174 8.096 1.00 0.00 H new ATOM 15 N ILE A 2 -5.448 4.878 4.337 1.00 0.00 N ATOM 16 CA ILE A 2 -4.929 3.716 3.634 1.00 0.00 C ATOM 17 C ILE A 2 -4.069 2.888 4.592 1.00 0.00 C ATOM 18 O ILE A 2 -2.970 3.300 4.958 1.00 0.00 O ATOM 19 CB ILE A 2 -4.193 4.144 2.362 1.00 0.00 C ATOM 20 CG1 ILE A 2 -3.123 5.192 2.674 1.00 0.00 C ATOM 21 CG2 ILE A 2 -5.178 4.631 1.297 1.00 0.00 C ATOM 22 CD1 ILE A 2 -3.649 6.606 2.422 1.00 0.00 C ATOM 0 H ILE A 2 -4.776 5.343 4.948 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.746 3.075 3.302 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.681 3.273 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.809 5.097 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.243 5.013 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.630 4.929 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.870 3.827 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.737 5.484 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.868 7.331 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.940 6.705 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.514 6.791 3.058 1.00 0.00 H new ATOM 34 N GLU A 3 -4.603 1.736 4.969 1.00 0.00 N ATOM 35 CA GLU A 3 -3.899 0.846 5.877 1.00 0.00 C ATOM 36 C GLU A 3 -3.625 -0.497 5.197 1.00 0.00 C ATOM 37 O GLU A 3 -4.382 -0.922 4.326 1.00 0.00 O ATOM 38 CB GLU A 3 -4.685 0.654 7.175 1.00 0.00 C ATOM 39 CG GLU A 3 -3.755 0.274 8.328 1.00 0.00 C ATOM 40 CD GLU A 3 -3.402 1.499 9.174 1.00 0.00 C ATOM 41 OE1 GLU A 3 -3.283 2.589 8.574 1.00 0.00 O ATOM 42 OE2 GLU A 3 -3.259 1.318 10.403 1.00 0.00 O ATOM 0 H GLU A 3 -5.515 1.398 4.662 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.943 1.302 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.218 1.572 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.436 -0.124 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.235 -0.479 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.844 -0.174 7.932 1.00 0.00 H new ATOM 49 N VAL A 4 -2.540 -1.128 5.622 1.00 0.00 N ATOM 50 CA VAL A 4 -2.156 -2.414 5.066 1.00 0.00 C ATOM 51 C VAL A 4 -2.252 -3.485 6.154 1.00 0.00 C ATOM 52 O VAL A 4 -1.889 -3.239 7.304 1.00 0.00 O ATOM 53 CB VAL A 4 -0.763 -2.319 4.440 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.234 -1.692 5.416 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.281 -3.692 3.967 1.00 0.00 C ATOM 0 H VAL A 4 -1.915 -0.772 6.345 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.837 -2.703 4.266 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.830 -1.669 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.216 -1.636 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.099 -0.689 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.296 -2.304 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.711 -3.597 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.237 -4.374 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.973 -4.084 3.222 1.00 0.00 H new ATOM 65 N ASN A 5 -2.739 -4.649 5.754 1.00 0.00 N ATOM 66 CA ASN A 5 -2.886 -5.758 6.681 1.00 0.00 C ATOM 67 C ASN A 5 -1.525 -6.424 6.893 1.00 0.00 C ATOM 68 O ASN A 5 -0.504 -5.917 6.431 1.00 0.00 O ATOM 69 CB ASN A 5 -3.847 -6.814 6.131 1.00 0.00 C ATOM 70 CG ASN A 5 -5.244 -6.227 5.921 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.443 -5.023 5.894 1.00 0.00 O ATOM 72 ND2 ASN A 5 -6.199 -7.141 5.775 1.00 0.00 N ATOM 0 H ASN A 5 -3.037 -4.849 4.799 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.281 -5.363 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.466 -7.201 5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.902 -7.656 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.166 -6.850 5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.965 -8.133 5.808 1.00 0.00 H new ATOM 79 N ASP A 6 -1.554 -7.548 7.592 1.00 0.00 N ATOM 80 CA ASP A 6 -0.335 -8.289 7.871 1.00 0.00 C ATOM 81 C ASP A 6 -0.278 -9.527 6.974 1.00 0.00 C ATOM 82 O ASP A 6 0.772 -10.151 6.837 1.00 0.00 O ATOM 83 CB ASP A 6 -0.296 -8.758 9.326 1.00 0.00 C ATOM 84 CG ASP A 6 0.920 -9.607 9.700 1.00 0.00 C ATOM 85 OD1 ASP A 6 2.042 -9.174 9.358 1.00 0.00 O ATOM 86 OD2 ASP A 6 0.701 -10.671 10.318 1.00 0.00 O ATOM 0 H ASP A 6 -2.403 -7.965 7.974 1.00 0.00 H new ATOM 0 HA ASP A 6 0.511 -7.628 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.322 -7.883 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.199 -9.334 9.531 1.00 0.00 H new ATOM 91 N ASP A 7 -1.422 -9.844 6.386 1.00 0.00 N ATOM 92 CA ASP A 7 -1.516 -10.996 5.505 1.00 0.00 C ATOM 93 C ASP A 7 -0.585 -10.795 4.307 1.00 0.00 C ATOM 94 O ASP A 7 -0.094 -11.763 3.729 1.00 0.00 O ATOM 95 CB ASP A 7 -2.941 -11.169 4.974 1.00 0.00 C ATOM 96 CG ASP A 7 -3.654 -12.441 5.437 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.176 -13.029 6.431 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.660 -12.796 4.787 1.00 0.00 O ATOM 0 H ASP A 7 -2.291 -9.324 6.502 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.234 -11.881 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.534 -10.307 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.910 -11.164 3.884 1.00 0.00 H new ATOM 103 N CYS A 8 -0.373 -9.531 3.970 1.00 0.00 N ATOM 104 CA CYS A 8 0.489 -9.191 2.851 1.00 0.00 C ATOM 105 C CYS A 8 1.852 -9.849 3.078 1.00 0.00 C ATOM 106 O CYS A 8 2.304 -9.973 4.215 1.00 0.00 O ATOM 107 CB CYS A 8 0.610 -7.676 2.671 1.00 0.00 C ATOM 108 SG CYS A 8 1.974 -7.140 1.572 1.00 0.00 S ATOM 0 H CYS A 8 -0.783 -8.731 4.452 1.00 0.00 H new ATOM 0 HA CYS A 8 0.054 -9.568 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.330 -7.295 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.750 -7.218 3.650 1.00 0.00 H new ATOM 113 N MET A 9 2.468 -10.253 1.976 1.00 0.00 N ATOM 114 CA MET A 9 3.771 -10.895 2.040 1.00 0.00 C ATOM 115 C MET A 9 4.889 -9.895 1.742 1.00 0.00 C ATOM 116 O MET A 9 5.677 -9.558 2.624 1.00 0.00 O ATOM 117 CB MET A 9 3.825 -12.040 1.027 1.00 0.00 C ATOM 118 CG MET A 9 3.546 -13.383 1.704 1.00 0.00 C ATOM 119 SD MET A 9 4.936 -13.856 2.720 1.00 0.00 S ATOM 120 CE MET A 9 4.222 -13.641 4.342 1.00 0.00 C ATOM 0 H MET A 9 2.089 -10.148 1.035 1.00 0.00 H new ATOM 0 HA MET A 9 3.916 -11.283 3.048 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.093 -11.867 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.806 -12.065 0.552 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.646 -13.311 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.359 -14.148 0.950 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.616 -14.401 5.017 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.475 -12.651 4.723 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.138 -13.739 4.278 1.00 0.00 H new ATOM 130 N ALA A 10 4.925 -9.451 0.494 1.00 0.00 N ATOM 131 CA ALA A 10 5.934 -8.497 0.067 1.00 0.00 C ATOM 132 C ALA A 10 5.927 -8.400 -1.459 1.00 0.00 C ATOM 133 O ALA A 10 6.977 -8.475 -2.095 1.00 0.00 O ATOM 134 CB ALA A 10 7.298 -8.917 0.618 1.00 0.00 C ATOM 0 H ALA A 10 4.271 -9.735 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 10 5.714 -7.505 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.056 -8.202 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.259 -8.941 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.553 -9.908 0.242 1.00 0.00 H new ATOM 140 N CYS A 11 4.730 -8.235 -2.003 1.00 0.00 N ATOM 141 CA CYS A 11 4.571 -8.127 -3.443 1.00 0.00 C ATOM 142 C CYS A 11 5.085 -6.754 -3.883 1.00 0.00 C ATOM 143 O CYS A 11 5.698 -6.626 -4.940 1.00 0.00 O ATOM 144 CB CYS A 11 3.120 -8.357 -3.872 1.00 0.00 C ATOM 145 SG CYS A 11 2.475 -10.035 -3.526 1.00 0.00 S ATOM 0 H CYS A 11 3.861 -8.174 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 11 5.154 -8.906 -3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.486 -7.628 -3.367 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.037 -8.164 -4.942 1.00 0.00 H new ATOM 0 HG CYS A 11 1.241 -10.117 -3.927 1.00 0.00 H new ATOM 150 N GLU A 12 4.814 -5.763 -3.046 1.00 0.00 N ATOM 151 CA GLU A 12 5.240 -4.403 -3.335 1.00 0.00 C ATOM 152 C GLU A 12 4.649 -3.932 -4.664 1.00 0.00 C ATOM 153 O GLU A 12 5.206 -3.052 -5.318 1.00 0.00 O ATOM 154 CB GLU A 12 6.767 -4.299 -3.346 1.00 0.00 C ATOM 155 CG GLU A 12 7.340 -4.501 -1.941 1.00 0.00 C ATOM 156 CD GLU A 12 8.496 -5.504 -1.961 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.246 -5.485 -2.960 1.00 0.00 O ATOM 158 OE2 GLU A 12 8.603 -6.266 -0.976 1.00 0.00 O ATOM 0 H GLU A 12 4.305 -5.874 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 12 4.869 -3.751 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.181 -5.046 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.066 -3.323 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.688 -3.547 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.556 -4.857 -1.272 1.00 0.00 H new ATOM 165 N ALA A 13 3.527 -4.539 -5.025 1.00 0.00 N ATOM 166 CA ALA A 13 2.855 -4.192 -6.265 1.00 0.00 C ATOM 167 C ALA A 13 2.278 -2.780 -6.150 1.00 0.00 C ATOM 168 O ALA A 13 2.479 -1.950 -7.035 1.00 0.00 O ATOM 169 CB ALA A 13 1.780 -5.237 -6.573 1.00 0.00 C ATOM 0 H ALA A 13 3.067 -5.269 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 13 3.560 -4.194 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.276 -4.977 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.244 -6.218 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.053 -5.262 -5.761 1.00 0.00 H new ATOM 175 N CYS A 14 1.573 -2.551 -5.052 1.00 0.00 N ATOM 176 CA CYS A 14 0.965 -1.254 -4.809 1.00 0.00 C ATOM 177 C CYS A 14 2.082 -0.215 -4.689 1.00 0.00 C ATOM 178 O CYS A 14 1.885 0.954 -5.017 1.00 0.00 O ATOM 179 CB CYS A 14 0.067 -1.272 -3.570 1.00 0.00 C ATOM 180 SG CYS A 14 -0.721 -2.888 -3.217 1.00 0.00 S ATOM 0 H CYS A 14 1.409 -3.242 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 14 0.315 -0.993 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.660 -0.976 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.714 -0.522 -3.694 1.00 0.00 H new ATOM 185 N VAL A 15 3.230 -0.679 -4.217 1.00 0.00 N ATOM 186 CA VAL A 15 4.379 0.194 -4.049 1.00 0.00 C ATOM 187 C VAL A 15 4.991 0.493 -5.419 1.00 0.00 C ATOM 188 O VAL A 15 5.521 1.580 -5.641 1.00 0.00 O ATOM 189 CB VAL A 15 5.375 -0.433 -3.072 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.655 0.401 -2.983 1.00 0.00 C ATOM 191 CG2 VAL A 15 4.745 -0.620 -1.691 1.00 0.00 C ATOM 0 H VAL A 15 3.389 -1.649 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 15 4.075 1.146 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 15 5.643 -1.418 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.346 -0.067 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.120 0.459 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.411 1.405 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.474 -1.067 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.434 0.348 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.877 -1.274 -1.773 1.00 0.00 H new ATOM 201 N GLU A 16 4.897 -0.491 -6.301 1.00 0.00 N ATOM 202 CA GLU A 16 5.435 -0.347 -7.643 1.00 0.00 C ATOM 203 C GLU A 16 4.505 0.515 -8.498 1.00 0.00 C ATOM 204 O GLU A 16 4.903 1.007 -9.552 1.00 0.00 O ATOM 205 CB GLU A 16 5.667 -1.714 -8.290 1.00 0.00 C ATOM 206 CG GLU A 16 6.802 -1.650 -9.313 1.00 0.00 C ATOM 207 CD GLU A 16 7.963 -2.556 -8.900 1.00 0.00 C ATOM 208 OE1 GLU A 16 8.283 -2.555 -7.691 1.00 0.00 O ATOM 209 OE2 GLU A 16 8.507 -3.229 -9.802 1.00 0.00 O ATOM 0 H GLU A 16 4.456 -1.391 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 16 6.401 0.154 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.907 -2.448 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.752 -2.050 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.431 -1.952 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.154 -0.623 -9.408 1.00 0.00 H new ATOM 216 N ILE A 17 3.282 0.670 -8.013 1.00 0.00 N ATOM 217 CA ILE A 17 2.292 1.465 -8.720 1.00 0.00 C ATOM 218 C ILE A 17 2.144 2.822 -8.029 1.00 0.00 C ATOM 219 O ILE A 17 1.856 3.825 -8.680 1.00 0.00 O ATOM 220 CB ILE A 17 0.976 0.692 -8.846 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.364 0.875 -10.236 1.00 0.00 C ATOM 222 CG2 ILE A 17 0.002 1.085 -7.733 1.00 0.00 C ATOM 223 CD1 ILE A 17 0.380 2.348 -10.652 1.00 0.00 C ATOM 0 H ILE A 17 2.954 0.259 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 17 2.620 1.662 -9.741 1.00 0.00 H new ATOM 0 HB ILE A 17 1.190 -0.370 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.919 0.282 -10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.661 0.504 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.925 0.522 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.448 0.861 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.212 2.152 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.061 2.451 -11.644 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.196 2.934 -9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.408 2.709 -10.673 1.00 0.00 H new ATOM 235 N CYS A 18 2.347 2.809 -6.720 1.00 0.00 N ATOM 236 CA CYS A 18 2.240 4.026 -5.934 1.00 0.00 C ATOM 237 C CYS A 18 3.288 3.972 -4.821 1.00 0.00 C ATOM 238 O CYS A 18 2.949 3.776 -3.653 1.00 0.00 O ATOM 239 CB CYS A 18 0.827 4.220 -5.380 1.00 0.00 C ATOM 240 SG CYS A 18 0.409 5.943 -4.929 1.00 0.00 S ATOM 0 H CYS A 18 2.585 1.975 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 18 2.431 4.891 -6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.110 3.869 -6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.708 3.590 -4.499 1.00 0.00 H new ATOM 245 N PRO A 19 4.572 4.155 -5.230 1.00 0.00 N ATOM 246 CA PRO A 19 5.671 4.129 -4.279 1.00 0.00 C ATOM 247 C PRO A 19 5.714 5.417 -3.455 1.00 0.00 C ATOM 248 O PRO A 19 6.624 5.614 -2.652 1.00 0.00 O ATOM 249 CB PRO A 19 6.917 3.922 -5.124 1.00 0.00 C ATOM 250 CG PRO A 19 6.526 4.303 -6.543 1.00 0.00 C ATOM 251 CD PRO A 19 5.010 4.389 -6.603 1.00 0.00 C ATOM 0 HA PRO A 19 5.570 3.333 -3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.739 4.541 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.254 2.886 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.973 5.258 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.894 3.562 -7.252 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.682 5.364 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.597 3.644 -7.283 1.00 0.00 H new ATOM 259 N ASP A 20 4.719 6.261 -3.683 1.00 0.00 N ATOM 260 CA ASP A 20 4.631 7.524 -2.972 1.00 0.00 C ATOM 261 C ASP A 20 3.573 7.415 -1.873 1.00 0.00 C ATOM 262 O ASP A 20 3.474 8.289 -1.012 1.00 0.00 O ATOM 263 CB ASP A 20 4.220 8.659 -3.913 1.00 0.00 C ATOM 264 CG ASP A 20 5.002 9.962 -3.737 1.00 0.00 C ATOM 265 OD1 ASP A 20 6.211 9.946 -4.056 1.00 0.00 O ATOM 266 OD2 ASP A 20 4.373 10.945 -3.287 1.00 0.00 O ATOM 0 H ASP A 20 3.966 6.094 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 20 5.613 7.742 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.338 8.318 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.160 8.867 -3.766 1.00 0.00 H new ATOM 271 N VAL A 21 2.809 6.334 -1.937 1.00 0.00 N ATOM 272 CA VAL A 21 1.763 6.098 -0.957 1.00 0.00 C ATOM 273 C VAL A 21 2.097 4.841 -0.152 1.00 0.00 C ATOM 274 O VAL A 21 1.589 4.654 0.952 1.00 0.00 O ATOM 275 CB VAL A 21 0.403 6.018 -1.654 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.694 5.610 -0.670 1.00 0.00 C ATOM 277 CG2 VAL A 21 0.059 7.341 -2.340 1.00 0.00 C ATOM 0 H VAL A 21 2.894 5.612 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 21 1.705 6.928 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 21 0.466 5.249 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.650 5.561 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.460 4.633 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.755 6.346 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.912 7.256 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.024 8.138 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.820 7.573 -3.085 1.00 0.00 H new ATOM 287 N PHE A 22 2.950 4.012 -0.737 1.00 0.00 N ATOM 288 CA PHE A 22 3.358 2.778 -0.087 1.00 0.00 C ATOM 289 C PHE A 22 4.855 2.526 -0.281 1.00 0.00 C ATOM 290 O PHE A 22 5.375 2.674 -1.386 1.00 0.00 O ATOM 291 CB PHE A 22 2.572 1.644 -0.748 1.00 0.00 C ATOM 292 CG PHE A 22 1.071 1.915 -0.870 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.296 1.962 0.247 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.512 2.109 -2.094 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.097 2.214 0.134 1.00 0.00 C ATOM 296 CE2 PHE A 22 -0.880 2.360 -2.207 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.656 2.408 -1.090 1.00 0.00 C ATOM 0 H PHE A 22 3.369 4.171 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 22 3.163 2.838 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.980 1.465 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.720 0.730 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.740 1.808 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.128 2.072 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.712 2.252 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.324 2.513 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.715 2.600 -1.176 1.00 0.00 H new ATOM 307 N GLU A 23 5.505 2.149 0.811 1.00 0.00 N ATOM 308 CA GLU A 23 6.931 1.875 0.776 1.00 0.00 C ATOM 309 C GLU A 23 7.294 0.815 1.818 1.00 0.00 C ATOM 310 O GLU A 23 6.821 0.868 2.952 1.00 0.00 O ATOM 311 CB GLU A 23 7.741 3.155 0.990 1.00 0.00 C ATOM 312 CG GLU A 23 9.173 2.831 1.421 1.00 0.00 C ATOM 313 CD GLU A 23 9.922 2.084 0.317 1.00 0.00 C ATOM 314 OE1 GLU A 23 10.060 2.674 -0.776 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.341 0.937 0.591 1.00 0.00 O ATOM 0 H GLU A 23 5.070 2.027 1.725 1.00 0.00 H new ATOM 0 HA GLU A 23 7.182 1.487 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.757 3.738 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.260 3.772 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.701 3.753 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.156 2.226 2.327 1.00 0.00 H new ATOM 322 N MET A 24 8.130 -0.123 1.396 1.00 0.00 N ATOM 323 CA MET A 24 8.561 -1.193 2.278 1.00 0.00 C ATOM 324 C MET A 24 9.101 -0.633 3.595 1.00 0.00 C ATOM 325 O MET A 24 9.707 0.438 3.618 1.00 0.00 O ATOM 326 CB MET A 24 9.651 -2.016 1.588 1.00 0.00 C ATOM 327 CG MET A 24 9.486 -1.977 0.068 1.00 0.00 C ATOM 328 SD MET A 24 10.237 -3.422 -0.664 1.00 0.00 S ATOM 329 CE MET A 24 11.713 -2.691 -1.350 1.00 0.00 C ATOM 0 H MET A 24 8.520 -0.163 0.454 1.00 0.00 H new ATOM 0 HA MET A 24 7.701 -1.825 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.632 -1.628 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.608 -3.048 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.428 -1.936 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.947 -1.074 -0.333 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.303 -3.461 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.437 -1.922 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.303 -2.243 -0.550 1.00 0.00 H new ATOM 339 N ASN A 25 8.863 -1.382 4.662 1.00 0.00 N ATOM 340 CA ASN A 25 9.318 -0.974 5.980 1.00 0.00 C ATOM 341 C ASN A 25 10.845 -0.868 5.978 1.00 0.00 C ATOM 342 O ASN A 25 11.455 -0.669 4.929 1.00 0.00 O ATOM 343 CB ASN A 25 8.917 -1.998 7.043 1.00 0.00 C ATOM 344 CG ASN A 25 9.782 -3.257 6.946 1.00 0.00 C ATOM 345 OD1 ASN A 25 9.997 -3.812 5.881 1.00 0.00 O ATOM 346 ND2 ASN A 25 10.263 -3.674 8.113 1.00 0.00 N ATOM 0 H ASN A 25 8.361 -2.269 4.640 1.00 0.00 H new ATOM 0 HA ASN A 25 8.858 -0.014 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.020 -1.557 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.867 -2.263 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.851 -4.506 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.044 -3.162 8.967 1.00 0.00 H new ATOM 353 N GLU A 26 11.417 -1.004 7.165 1.00 0.00 N ATOM 354 CA GLU A 26 12.861 -0.926 7.313 1.00 0.00 C ATOM 355 C GLU A 26 13.525 -2.157 6.693 1.00 0.00 C ATOM 356 O GLU A 26 14.413 -2.030 5.851 1.00 0.00 O ATOM 357 CB GLU A 26 13.253 -0.773 8.784 1.00 0.00 C ATOM 358 CG GLU A 26 14.411 0.215 8.942 1.00 0.00 C ATOM 359 CD GLU A 26 15.026 0.120 10.339 1.00 0.00 C ATOM 360 OE1 GLU A 26 14.329 0.523 11.295 1.00 0.00 O ATOM 361 OE2 GLU A 26 16.180 -0.354 10.420 1.00 0.00 O ATOM 0 H GLU A 26 10.907 -1.168 8.033 1.00 0.00 H new ATOM 0 HA GLU A 26 13.215 -0.042 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.394 -0.427 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.539 -1.743 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.173 0.010 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.054 1.230 8.766 1.00 0.00 H new ATOM 368 N GLU A 27 13.069 -3.321 7.134 1.00 0.00 N ATOM 369 CA GLU A 27 13.608 -4.573 6.633 1.00 0.00 C ATOM 370 C GLU A 27 13.163 -4.803 5.187 1.00 0.00 C ATOM 371 O GLU A 27 13.708 -5.662 4.496 1.00 0.00 O ATOM 372 CB GLU A 27 13.195 -5.745 7.527 1.00 0.00 C ATOM 373 CG GLU A 27 13.498 -5.446 8.996 1.00 0.00 C ATOM 374 CD GLU A 27 14.693 -6.266 9.488 1.00 0.00 C ATOM 375 OE1 GLU A 27 14.663 -7.498 9.273 1.00 0.00 O ATOM 376 OE2 GLU A 27 15.610 -5.643 10.065 1.00 0.00 O ATOM 0 H GLU A 27 12.333 -3.422 7.832 1.00 0.00 H new ATOM 0 HA GLU A 27 14.696 -4.510 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.130 -5.943 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.724 -6.647 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.707 -4.383 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.622 -5.672 9.605 1.00 0.00 H new ATOM 383 N GLY A 28 12.177 -4.021 4.775 1.00 0.00 N ATOM 384 CA GLY A 28 11.651 -4.128 3.424 1.00 0.00 C ATOM 385 C GLY A 28 10.933 -5.464 3.219 1.00 0.00 C ATOM 386 O GLY A 28 11.056 -6.083 2.165 1.00 0.00 O ATOM 0 H GLY A 28 11.728 -3.310 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.960 -3.307 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.465 -4.034 2.705 1.00 0.00 H new ATOM 390 N ASP A 29 10.198 -5.867 4.245 1.00 0.00 N ATOM 391 CA ASP A 29 9.461 -7.118 4.192 1.00 0.00 C ATOM 392 C ASP A 29 7.960 -6.822 4.244 1.00 0.00 C ATOM 393 O ASP A 29 7.141 -7.703 3.990 1.00 0.00 O ATOM 394 CB ASP A 29 9.808 -8.014 5.382 1.00 0.00 C ATOM 395 CG ASP A 29 9.947 -9.501 5.052 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.802 -9.816 4.196 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.195 -10.291 5.664 1.00 0.00 O ATOM 0 H ASP A 29 10.097 -5.349 5.118 1.00 0.00 H new ATOM 0 HA ASP A 29 9.730 -7.629 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.743 -7.665 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.037 -7.897 6.143 1.00 0.00 H new ATOM 402 N LYS A 30 7.646 -5.579 4.576 1.00 0.00 N ATOM 403 CA LYS A 30 6.258 -5.156 4.665 1.00 0.00 C ATOM 404 C LYS A 30 6.105 -3.783 4.008 1.00 0.00 C ATOM 405 O LYS A 30 6.943 -2.902 4.197 1.00 0.00 O ATOM 406 CB LYS A 30 5.778 -5.199 6.117 1.00 0.00 C ATOM 407 CG LYS A 30 6.735 -4.437 7.035 1.00 0.00 C ATOM 408 CD LYS A 30 7.016 -5.230 8.314 1.00 0.00 C ATOM 409 CE LYS A 30 5.795 -5.232 9.236 1.00 0.00 C ATOM 410 NZ LYS A 30 5.938 -4.199 10.287 1.00 0.00 N ATOM 0 H LYS A 30 8.328 -4.851 4.787 1.00 0.00 H new ATOM 0 HA LYS A 30 5.614 -5.845 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.780 -4.766 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.700 -6.235 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.670 -4.243 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.306 -3.468 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.286 -6.255 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.869 -4.796 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.892 -5.045 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.680 -6.214 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.101 -4.214 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.789 -4.395 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.025 -3.262 9.844 1.00 0.00 H new ATOM 423 N ALA A 31 5.028 -3.643 3.249 1.00 0.00 N ATOM 424 CA ALA A 31 4.754 -2.392 2.561 1.00 0.00 C ATOM 425 C ALA A 31 4.025 -1.441 3.514 1.00 0.00 C ATOM 426 O ALA A 31 2.805 -1.516 3.658 1.00 0.00 O ATOM 427 CB ALA A 31 3.951 -2.673 1.290 1.00 0.00 C ATOM 0 H ALA A 31 4.335 -4.375 3.095 1.00 0.00 H new ATOM 0 HA ALA A 31 5.683 -1.908 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.746 -1.735 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.524 -3.329 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.010 -3.156 1.553 1.00 0.00 H new ATOM 433 N VAL A 32 4.802 -0.570 4.139 1.00 0.00 N ATOM 434 CA VAL A 32 4.246 0.393 5.073 1.00 0.00 C ATOM 435 C VAL A 32 3.712 1.599 4.298 1.00 0.00 C ATOM 436 O VAL A 32 4.271 1.978 3.270 1.00 0.00 O ATOM 437 CB VAL A 32 5.295 0.774 6.120 1.00 0.00 C ATOM 438 CG1 VAL A 32 4.750 1.831 7.083 1.00 0.00 C ATOM 439 CG2 VAL A 32 5.782 -0.461 6.881 1.00 0.00 C ATOM 0 H VAL A 32 5.813 -0.511 4.017 1.00 0.00 H new ATOM 0 HA VAL A 32 3.407 -0.043 5.616 1.00 0.00 H new ATOM 0 HB VAL A 32 6.149 1.205 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.515 2.084 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.474 2.725 6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.872 1.438 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.527 -0.163 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.939 -0.933 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.227 -1.168 6.181 1.00 0.00 H new ATOM 449 N VAL A 33 2.635 2.169 4.820 1.00 0.00 N ATOM 450 CA VAL A 33 2.019 3.324 4.188 1.00 0.00 C ATOM 451 C VAL A 33 2.844 4.573 4.505 1.00 0.00 C ATOM 452 O VAL A 33 3.278 4.764 5.641 1.00 0.00 O ATOM 453 CB VAL A 33 0.559 3.444 4.630 1.00 0.00 C ATOM 454 CG1 VAL A 33 -0.063 4.745 4.117 1.00 0.00 C ATOM 455 CG2 VAL A 33 -0.254 2.231 4.174 1.00 0.00 C ATOM 0 H VAL A 33 2.174 1.853 5.673 1.00 0.00 H new ATOM 0 HA VAL A 33 2.009 3.207 3.104 1.00 0.00 H new ATOM 0 HB VAL A 33 0.540 3.469 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.101 4.806 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.493 5.595 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.025 4.762 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.288 2.342 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.223 2.160 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.169 1.325 4.609 1.00 0.00 H new ATOM 465 N ILE A 34 3.036 5.391 3.481 1.00 0.00 N ATOM 466 CA ILE A 34 3.803 6.616 3.636 1.00 0.00 C ATOM 467 C ILE A 34 2.860 7.818 3.528 1.00 0.00 C ATOM 468 O ILE A 34 3.083 8.844 4.169 1.00 0.00 O ATOM 469 CB ILE A 34 4.962 6.653 2.639 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.833 5.532 1.606 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.310 6.612 3.362 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.881 5.680 0.501 1.00 0.00 C ATOM 0 H ILE A 34 2.674 5.230 2.541 1.00 0.00 H new ATOM 0 HA ILE A 34 4.262 6.656 4.624 1.00 0.00 H new ATOM 0 HB ILE A 34 4.915 7.598 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.951 4.566 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.834 5.548 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.117 6.639 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.393 7.473 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.382 5.695 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.767 4.870 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.745 6.637 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.879 5.639 0.938 1.00 0.00 H new ATOM 484 N ASN A 35 1.830 7.651 2.714 1.00 0.00 N ATOM 485 CA ASN A 35 0.854 8.708 2.513 1.00 0.00 C ATOM 486 C ASN A 35 -0.491 8.271 3.094 1.00 0.00 C ATOM 487 O ASN A 35 -1.290 7.633 2.409 1.00 0.00 O ATOM 488 CB ASN A 35 0.654 9.000 1.025 1.00 0.00 C ATOM 489 CG ASN A 35 0.291 10.468 0.798 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.103 11.185 1.704 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.446 10.876 -0.459 1.00 0.00 N ATOM 0 H ASN A 35 1.649 6.798 2.185 1.00 0.00 H new ATOM 0 HA ASN A 35 1.223 9.606 3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.565 8.758 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.135 8.361 0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.231 11.840 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.780 10.224 -1.169 1.00 0.00 H new ATOM 498 N PRO A 36 -0.708 8.639 4.386 1.00 0.00 N ATOM 499 CA PRO A 36 -1.944 8.292 5.067 1.00 0.00 C ATOM 500 C PRO A 36 -3.101 9.171 4.585 1.00 0.00 C ATOM 501 O PRO A 36 -4.005 9.488 5.355 1.00 0.00 O ATOM 502 CB PRO A 36 -1.641 8.466 6.546 1.00 0.00 C ATOM 503 CG PRO A 36 -0.402 9.345 6.617 1.00 0.00 C ATOM 504 CD PRO A 36 0.216 9.394 5.229 1.00 0.00 C ATOM 0 HA PRO A 36 -2.267 7.272 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.480 8.931 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.464 7.503 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.665 10.348 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.310 8.943 7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.323 10.421 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.211 8.950 5.223 1.00 0.00 H new ATOM 512 N ASP A 37 -3.033 9.539 3.314 1.00 0.00 N ATOM 513 CA ASP A 37 -4.063 10.375 2.722 1.00 0.00 C ATOM 514 C ASP A 37 -3.687 10.692 1.273 1.00 0.00 C ATOM 515 O ASP A 37 -3.869 11.817 0.813 1.00 0.00 O ATOM 516 CB ASP A 37 -4.199 11.700 3.476 1.00 0.00 C ATOM 517 CG ASP A 37 -5.257 12.655 2.920 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.449 12.411 3.208 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.851 13.607 2.218 1.00 0.00 O ATOM 0 H ASP A 37 -2.281 9.274 2.678 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.007 9.833 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.437 11.485 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.234 12.206 3.467 1.00 0.00 H new ATOM 524 N SER A 38 -3.168 9.678 0.595 1.00 0.00 N ATOM 525 CA SER A 38 -2.764 9.834 -0.791 1.00 0.00 C ATOM 526 C SER A 38 -3.660 10.862 -1.485 1.00 0.00 C ATOM 527 O SER A 38 -3.211 11.956 -1.821 1.00 0.00 O ATOM 528 CB SER A 38 -2.816 8.497 -1.534 1.00 0.00 C ATOM 529 OG SER A 38 -2.733 8.667 -2.946 1.00 0.00 O ATOM 0 H SER A 38 -3.018 8.746 0.981 1.00 0.00 H new ATOM 0 HA SER A 38 -1.734 10.189 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.996 7.863 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.743 7.980 -1.285 1.00 0.00 H new ATOM 0 HG SER A 38 -3.473 8.190 -3.377 1.00 0.00 H new ATOM 535 N ASP A 39 -4.912 10.474 -1.678 1.00 0.00 N ATOM 536 CA ASP A 39 -5.875 11.348 -2.325 1.00 0.00 C ATOM 537 C ASP A 39 -5.604 11.373 -3.831 1.00 0.00 C ATOM 538 O ASP A 39 -6.181 12.182 -4.556 1.00 0.00 O ATOM 539 CB ASP A 39 -5.759 12.780 -1.800 1.00 0.00 C ATOM 540 CG ASP A 39 -7.004 13.647 -2.004 1.00 0.00 C ATOM 541 OD1 ASP A 39 -8.023 13.338 -1.348 1.00 0.00 O ATOM 542 OD2 ASP A 39 -6.908 14.597 -2.808 1.00 0.00 O ATOM 0 H ASP A 39 -5.282 9.566 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.873 10.966 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.531 12.743 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.914 13.263 -2.290 1.00 0.00 H new ATOM 547 N LEU A 40 -4.724 10.478 -4.256 1.00 0.00 N ATOM 548 CA LEU A 40 -4.369 10.387 -5.662 1.00 0.00 C ATOM 549 C LEU A 40 -5.373 9.483 -6.380 1.00 0.00 C ATOM 550 O LEU A 40 -6.559 9.481 -6.050 1.00 0.00 O ATOM 551 CB LEU A 40 -2.915 9.938 -5.819 1.00 0.00 C ATOM 552 CG LEU A 40 -1.920 10.521 -4.813 1.00 0.00 C ATOM 553 CD1 LEU A 40 -0.820 9.511 -4.483 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.348 11.848 -5.314 1.00 0.00 C ATOM 0 H LEU A 40 -4.246 9.810 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.429 11.368 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.881 8.851 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.581 10.200 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.454 10.730 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.126 9.950 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.266 8.614 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.282 9.248 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.644 12.241 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.833 11.688 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.159 12.562 -5.458 1.00 0.00 H new ATOM 566 N ASP A 41 -4.862 8.739 -7.350 1.00 0.00 N ATOM 567 CA ASP A 41 -5.700 7.833 -8.117 1.00 0.00 C ATOM 568 C ASP A 41 -4.934 6.533 -8.375 1.00 0.00 C ATOM 569 O ASP A 41 -5.343 5.722 -9.205 1.00 0.00 O ATOM 570 CB ASP A 41 -6.071 8.440 -9.472 1.00 0.00 C ATOM 571 CG ASP A 41 -6.789 7.490 -10.431 1.00 0.00 C ATOM 572 OD1 ASP A 41 -8.038 7.455 -10.366 1.00 0.00 O ATOM 573 OD2 ASP A 41 -6.075 6.820 -11.208 1.00 0.00 O ATOM 0 H ASP A 41 -3.879 8.745 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.609 7.647 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.706 9.309 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.161 8.799 -9.953 1.00 0.00 H new ATOM 578 N CYS A 42 -3.837 6.376 -7.649 1.00 0.00 N ATOM 579 CA CYS A 42 -3.011 5.189 -7.790 1.00 0.00 C ATOM 580 C CYS A 42 -3.421 4.189 -6.707 1.00 0.00 C ATOM 581 O CYS A 42 -3.004 3.032 -6.736 1.00 0.00 O ATOM 582 CB CYS A 42 -1.520 5.526 -7.720 1.00 0.00 C ATOM 583 SG CYS A 42 -0.982 6.305 -6.155 1.00 0.00 S ATOM 0 H CYS A 42 -3.501 7.051 -6.962 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.170 4.746 -8.773 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.948 4.610 -7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.274 6.194 -8.545 1.00 0.00 H new ATOM 588 N VAL A 43 -4.232 4.670 -5.776 1.00 0.00 N ATOM 589 CA VAL A 43 -4.703 3.832 -4.687 1.00 0.00 C ATOM 590 C VAL A 43 -5.673 2.784 -5.237 1.00 0.00 C ATOM 591 O VAL A 43 -5.702 1.650 -4.761 1.00 0.00 O ATOM 592 CB VAL A 43 -5.321 4.701 -3.589 1.00 0.00 C ATOM 593 CG1 VAL A 43 -5.963 3.836 -2.503 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.281 5.650 -2.991 1.00 0.00 C ATOM 0 H VAL A 43 -4.575 5.630 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.871 3.296 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.106 5.307 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.395 4.478 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.747 3.220 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.206 3.193 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.746 6.256 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.465 5.070 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.890 6.301 -3.773 1.00 0.00 H new ATOM 604 N GLU A 44 -6.441 3.201 -6.232 1.00 0.00 N ATOM 605 CA GLU A 44 -7.409 2.312 -6.852 1.00 0.00 C ATOM 606 C GLU A 44 -6.695 1.152 -7.548 1.00 0.00 C ATOM 607 O GLU A 44 -7.140 0.008 -7.469 1.00 0.00 O ATOM 608 CB GLU A 44 -8.304 3.074 -7.833 1.00 0.00 C ATOM 609 CG GLU A 44 -9.646 2.364 -8.015 1.00 0.00 C ATOM 610 CD GLU A 44 -10.757 3.084 -7.248 1.00 0.00 C ATOM 611 OE1 GLU A 44 -10.941 2.740 -6.060 1.00 0.00 O ATOM 612 OE2 GLU A 44 -11.396 3.962 -7.866 1.00 0.00 O ATOM 0 H GLU A 44 -6.413 4.142 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.049 1.902 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.471 4.087 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.801 3.162 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.899 2.323 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.567 1.334 -7.666 1.00 0.00 H new ATOM 619 N GLU A 45 -5.600 1.487 -8.213 1.00 0.00 N ATOM 620 CA GLU A 45 -4.820 0.487 -8.923 1.00 0.00 C ATOM 621 C GLU A 45 -3.898 -0.253 -7.952 1.00 0.00 C ATOM 622 O GLU A 45 -3.267 -1.242 -8.323 1.00 0.00 O ATOM 623 CB GLU A 45 -4.020 1.123 -10.062 1.00 0.00 C ATOM 624 CG GLU A 45 -3.013 2.142 -9.523 1.00 0.00 C ATOM 625 CD GLU A 45 -2.376 2.939 -10.664 1.00 0.00 C ATOM 626 OE1 GLU A 45 -2.391 2.416 -11.799 1.00 0.00 O ATOM 627 OE2 GLU A 45 -1.890 4.053 -10.375 1.00 0.00 O ATOM 0 H GLU A 45 -5.234 2.437 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.506 -0.236 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.495 0.347 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.700 1.612 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.512 2.823 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.237 1.627 -8.957 1.00 0.00 H new ATOM 634 N ALA A 46 -3.850 0.253 -6.729 1.00 0.00 N ATOM 635 CA ALA A 46 -3.015 -0.348 -5.702 1.00 0.00 C ATOM 636 C ALA A 46 -3.860 -1.309 -4.863 1.00 0.00 C ATOM 637 O ALA A 46 -3.321 -2.111 -4.102 1.00 0.00 O ATOM 638 CB ALA A 46 -2.372 0.753 -4.857 1.00 0.00 C ATOM 0 H ALA A 46 -4.376 1.073 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.208 -0.925 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.746 0.302 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.760 1.391 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.151 1.352 -4.386 1.00 0.00 H new ATOM 644 N ILE A 47 -5.169 -1.197 -5.032 1.00 0.00 N ATOM 645 CA ILE A 47 -6.094 -2.046 -4.299 1.00 0.00 C ATOM 646 C ILE A 47 -6.658 -3.109 -5.243 1.00 0.00 C ATOM 647 O ILE A 47 -6.688 -4.292 -4.905 1.00 0.00 O ATOM 648 CB ILE A 47 -7.167 -1.200 -3.612 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.637 -0.594 -2.311 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.444 -2.014 -3.388 1.00 0.00 C ATOM 651 CD1 ILE A 47 -7.060 0.870 -2.177 1.00 0.00 C ATOM 0 H ILE A 47 -5.612 -0.531 -5.666 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.576 -2.573 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.424 -0.371 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.012 -1.164 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.550 -0.666 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.192 -1.390 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.830 -2.357 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.221 -2.875 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.671 1.277 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.663 1.442 -3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.148 0.936 -2.175 1.00 0.00 H new ATOM 663 N ASP A 48 -7.093 -2.651 -6.407 1.00 0.00 N ATOM 664 CA ASP A 48 -7.656 -3.549 -7.402 1.00 0.00 C ATOM 665 C ASP A 48 -6.603 -4.584 -7.802 1.00 0.00 C ATOM 666 O ASP A 48 -6.909 -5.769 -7.926 1.00 0.00 O ATOM 667 CB ASP A 48 -8.070 -2.785 -8.662 1.00 0.00 C ATOM 668 CG ASP A 48 -9.456 -3.135 -9.204 1.00 0.00 C ATOM 669 OD1 ASP A 48 -10.199 -3.816 -8.465 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.742 -2.714 -10.346 1.00 0.00 O ATOM 0 H ASP A 48 -7.067 -1.670 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.533 -4.028 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.040 -1.717 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.333 -2.975 -9.442 1.00 0.00 H new ATOM 675 N SER A 49 -5.384 -4.099 -7.993 1.00 0.00 N ATOM 676 CA SER A 49 -4.285 -4.969 -8.376 1.00 0.00 C ATOM 677 C SER A 49 -3.878 -5.850 -7.193 1.00 0.00 C ATOM 678 O SER A 49 -3.079 -6.773 -7.348 1.00 0.00 O ATOM 679 CB SER A 49 -3.086 -4.156 -8.869 1.00 0.00 C ATOM 680 OG SER A 49 -3.457 -3.214 -9.872 1.00 0.00 O ATOM 0 H SER A 49 -5.134 -3.116 -7.890 1.00 0.00 H new ATOM 0 HA SER A 49 -4.621 -5.605 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.633 -3.631 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.329 -4.831 -9.268 1.00 0.00 H new ATOM 0 HG SER A 49 -3.146 -2.321 -9.614 1.00 0.00 H new ATOM 686 N CYS A 50 -4.445 -5.534 -6.038 1.00 0.00 N ATOM 687 CA CYS A 50 -4.151 -6.285 -4.830 1.00 0.00 C ATOM 688 C CYS A 50 -5.112 -7.474 -4.757 1.00 0.00 C ATOM 689 O CYS A 50 -6.320 -7.292 -4.608 1.00 0.00 O ATOM 690 CB CYS A 50 -4.236 -5.405 -3.582 1.00 0.00 C ATOM 691 SG CYS A 50 -3.698 -6.218 -2.031 1.00 0.00 S ATOM 0 H CYS A 50 -5.107 -4.768 -5.913 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.125 -6.651 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.626 -4.515 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.266 -5.069 -3.461 1.00 0.00 H new ATOM 696 N PRO A 51 -4.525 -8.696 -4.870 1.00 0.00 N ATOM 697 CA PRO A 51 -5.316 -9.913 -4.818 1.00 0.00 C ATOM 698 C PRO A 51 -5.759 -10.219 -3.386 1.00 0.00 C ATOM 699 O PRO A 51 -6.832 -10.781 -3.170 1.00 0.00 O ATOM 700 CB PRO A 51 -4.418 -10.990 -5.405 1.00 0.00 C ATOM 701 CG PRO A 51 -3.004 -10.438 -5.333 1.00 0.00 C ATOM 702 CD PRO A 51 -3.098 -8.949 -5.048 1.00 0.00 C ATOM 0 HA PRO A 51 -6.245 -9.835 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.504 -11.919 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.698 -11.214 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.437 -10.941 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.477 -10.614 -6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.534 -8.680 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.691 -8.362 -5.871 1.00 0.00 H new ATOM 710 N ALA A 52 -4.910 -9.836 -2.443 1.00 0.00 N ATOM 711 CA ALA A 52 -5.201 -10.061 -1.037 1.00 0.00 C ATOM 712 C ALA A 52 -5.982 -8.868 -0.484 1.00 0.00 C ATOM 713 O ALA A 52 -6.470 -8.910 0.644 1.00 0.00 O ATOM 714 CB ALA A 52 -3.894 -10.307 -0.279 1.00 0.00 C ATOM 0 H ALA A 52 -4.020 -9.371 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.823 -10.947 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.111 -10.476 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.394 -11.183 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.245 -9.437 -0.381 1.00 0.00 H new ATOM 720 N GLU A 53 -6.073 -7.830 -1.303 1.00 0.00 N ATOM 721 CA GLU A 53 -6.787 -6.627 -0.909 1.00 0.00 C ATOM 722 C GLU A 53 -6.550 -6.331 0.573 1.00 0.00 C ATOM 723 O GLU A 53 -7.498 -6.115 1.326 1.00 0.00 O ATOM 724 CB GLU A 53 -8.281 -6.751 -1.211 1.00 0.00 C ATOM 725 CG GLU A 53 -8.562 -6.508 -2.696 1.00 0.00 C ATOM 726 CD GLU A 53 -10.065 -6.378 -2.955 1.00 0.00 C ATOM 727 OE1 GLU A 53 -10.804 -7.259 -2.465 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.440 -5.399 -3.637 1.00 0.00 O ATOM 0 H GLU A 53 -5.664 -7.797 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.401 -5.792 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.632 -7.744 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.838 -6.033 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.053 -5.601 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.157 -7.330 -3.286 1.00 0.00 H new ATOM 735 N ALA A 54 -5.279 -6.329 0.948 1.00 0.00 N ATOM 736 CA ALA A 54 -4.905 -6.063 2.327 1.00 0.00 C ATOM 737 C ALA A 54 -4.995 -4.559 2.593 1.00 0.00 C ATOM 738 O ALA A 54 -4.913 -4.123 3.740 1.00 0.00 O ATOM 739 CB ALA A 54 -3.506 -6.621 2.593 1.00 0.00 C ATOM 0 H ALA A 54 -4.495 -6.507 0.321 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.589 -6.561 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.225 -6.422 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.504 -7.697 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.790 -6.143 1.924 1.00 0.00 H new ATOM 745 N ILE A 55 -5.161 -3.809 1.514 1.00 0.00 N ATOM 746 CA ILE A 55 -5.262 -2.363 1.617 1.00 0.00 C ATOM 747 C ILE A 55 -6.720 -1.974 1.871 1.00 0.00 C ATOM 748 O ILE A 55 -7.566 -2.116 0.990 1.00 0.00 O ATOM 749 CB ILE A 55 -4.654 -1.694 0.383 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.271 -2.271 0.071 1.00 0.00 C ATOM 751 CG2 ILE A 55 -4.616 -0.173 0.546 1.00 0.00 C ATOM 752 CD1 ILE A 55 -3.383 -3.513 -0.815 1.00 0.00 C ATOM 0 H ILE A 55 -5.228 -4.175 0.564 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.682 -2.001 2.466 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.294 -1.911 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.663 -1.517 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.762 -2.527 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.179 0.278 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.630 0.204 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.012 0.085 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.387 -3.903 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.972 -4.274 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.871 -3.248 -1.753 1.00 0.00 H new ATOM 764 N VAL A 56 -6.969 -1.492 3.080 1.00 0.00 N ATOM 765 CA VAL A 56 -8.310 -1.082 3.461 1.00 0.00 C ATOM 766 C VAL A 56 -8.331 0.431 3.687 1.00 0.00 C ATOM 767 O VAL A 56 -7.280 1.060 3.799 1.00 0.00 O ATOM 768 CB VAL A 56 -8.771 -1.875 4.685 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.147 -3.307 4.300 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.704 -1.864 5.780 1.00 0.00 C ATOM 0 H VAL A 56 -6.265 -1.376 3.809 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.018 -1.301 2.662 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.662 -1.389 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.471 -3.849 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.957 -3.287 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.281 -3.806 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.058 -2.435 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.787 -2.313 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.506 -0.836 6.085 1.00 0.00 H new ATOM 780 N ARG A 57 -9.539 0.971 3.746 1.00 0.00 N ATOM 781 CA ARG A 57 -9.711 2.399 3.956 1.00 0.00 C ATOM 782 C ARG A 57 -9.807 2.708 5.452 1.00 0.00 C ATOM 783 O ARG A 57 -10.550 3.600 5.858 1.00 0.00 O ATOM 784 CB ARG A 57 -10.970 2.911 3.255 1.00 0.00 C ATOM 785 CG ARG A 57 -10.677 4.187 2.463 1.00 0.00 C ATOM 786 CD ARG A 57 -11.973 4.907 2.082 1.00 0.00 C ATOM 787 NE ARG A 57 -11.770 6.371 2.129 1.00 0.00 N ATOM 788 CZ ARG A 57 -12.721 7.277 1.812 1.00 0.00 C ATOM 789 NH1 ARG A 57 -13.949 6.874 1.424 1.00 0.00 N ATOM 790 NH2 ARG A 57 -12.430 8.562 1.888 1.00 0.00 N ATOM 0 H ARG A 57 -10.408 0.446 3.652 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.843 2.903 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.355 2.143 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.747 3.108 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.049 4.851 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.116 3.939 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.285 4.607 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.773 4.620 2.765 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.856 6.718 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.165 5.879 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.661 7.565 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.499 8.858 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.136 9.260 1.652 1.00 0.00 H new ATOM 804 N SER A 58 -9.046 1.952 6.230 1.00 0.00 N ATOM 805 CA SER A 58 -9.035 2.133 7.671 1.00 0.00 C ATOM 806 C SER A 58 -9.108 3.623 8.012 1.00 0.00 C ATOM 807 O SER A 58 -8.080 4.270 8.206 1.00 0.00 O ATOM 808 CB SER A 58 -7.788 1.506 8.297 1.00 0.00 C ATOM 809 OG SER A 58 -8.118 0.523 9.274 1.00 0.00 O ATOM 810 OXT SER A 58 -10.192 4.178 8.093 1.00 1.00 O ATOM 0 H SER A 58 -8.432 1.212 5.889 1.00 0.00 H new ATOM 0 HA SER A 58 -9.908 1.628 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.180 1.050 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.182 2.286 8.758 1.00 0.00 H new ATOM 0 HG SER A 58 -7.295 0.145 9.649 1.00 0.00 H new TER 816 SER A 58 HETATM 817 FE1 F3S A 59 0.961 -6.085 -0.203 1.00 0.00 FE HETATM 818 FE3 F3S A 59 -1.425 -5.892 -1.917 1.00 0.00 FE HETATM 819 FE4 F3S A 59 0.053 -3.516 -1.145 1.00 0.00 FE HETATM 820 S1 F3S A 59 0.301 -7.373 -1.991 1.00 0.00 S HETATM 821 S2 F3S A 59 2.205 -4.330 -1.144 1.00 0.00 S HETATM 822 S3 F3S A 59 -0.942 -4.918 0.348 1.00 0.00 S HETATM 823 S4 F3S A 59 -0.653 -4.142 -3.194 1.00 0.00 S