USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.1!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 40 THR OG1 : rot -109:sc= 0.0414 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -1:sc= 0.817 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= -0.0478 (180deg=-0.911) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -0.0904 (180deg=-0.456) USER MOD Single : A 67 SER OG : rot 180:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.817 1.878 -9.589 1.00 0.00 N ATOM 14 CA LEU A 2 -11.822 1.185 -8.778 1.00 0.00 C ATOM 15 C LEU A 2 -10.524 1.981 -8.710 1.00 0.00 C ATOM 16 O LEU A 2 -10.395 3.034 -9.334 1.00 0.00 O ATOM 17 CB LEU A 2 -11.550 -0.209 -9.345 1.00 0.00 C ATOM 18 CG LEU A 2 -12.718 -1.191 -9.236 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.163 -1.645 -10.618 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.332 -2.387 -8.378 1.00 0.00 C ATOM 0 HA LEU A 2 -12.220 1.087 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.275 -0.110 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.689 -0.633 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.553 -0.681 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.995 -2.343 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.481 -0.780 -11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.333 -2.138 -11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.175 -3.075 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.481 -2.898 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.063 -2.046 -7.378 1.00 0.00 H new ATOM 32 N VAL A 3 -9.568 1.472 -7.942 1.00 0.00 N ATOM 33 CA VAL A 3 -8.281 2.136 -7.783 1.00 0.00 C ATOM 34 C VAL A 3 -7.165 1.117 -7.552 1.00 0.00 C ATOM 35 O VAL A 3 -7.419 -0.027 -7.183 1.00 0.00 O ATOM 36 CB VAL A 3 -8.333 3.155 -6.612 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.942 3.492 -6.077 1.00 0.00 C ATOM 38 CG2 VAL A 3 -9.055 4.420 -7.051 1.00 0.00 C ATOM 0 H VAL A 3 -9.660 0.601 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.065 2.676 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.886 2.689 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.030 4.208 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.462 2.583 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.340 3.925 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.086 5.128 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.525 4.868 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.072 4.172 -7.354 1.00 0.00 H new ATOM 48 N GLU A 4 -5.928 1.555 -7.765 1.00 0.00 N ATOM 49 CA GLU A 4 -4.761 0.703 -7.576 1.00 0.00 C ATOM 50 C GLU A 4 -3.690 1.445 -6.781 1.00 0.00 C ATOM 51 O GLU A 4 -3.150 2.450 -7.242 1.00 0.00 O ATOM 52 CB GLU A 4 -4.200 0.266 -8.930 1.00 0.00 C ATOM 53 CG GLU A 4 -5.242 -0.342 -9.853 1.00 0.00 C ATOM 54 CD GLU A 4 -4.693 -0.643 -11.234 1.00 0.00 C ATOM 55 OE1 GLU A 4 -3.468 -0.503 -11.429 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.489 -1.019 -12.120 1.00 0.00 O ATOM 0 H GLU A 4 -5.708 2.503 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.063 -0.183 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.749 1.128 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.404 -0.460 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.623 -1.262 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.086 0.342 -9.943 1.00 0.00 H new ATOM 63 N LEU A 5 -3.390 0.954 -5.581 1.00 0.00 N ATOM 64 CA LEU A 5 -2.387 1.590 -4.733 1.00 0.00 C ATOM 65 C LEU A 5 -0.982 1.332 -5.259 1.00 0.00 C ATOM 66 O LEU A 5 -0.760 0.405 -6.038 1.00 0.00 O ATOM 67 CB LEU A 5 -2.505 1.094 -3.290 1.00 0.00 C ATOM 68 CG LEU A 5 -2.872 2.166 -2.265 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.879 3.318 -2.315 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.288 2.669 -2.506 1.00 0.00 C ATOM 0 H LEU A 5 -3.824 0.124 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.570 2.664 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.257 0.306 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.556 0.644 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.829 1.721 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.158 4.071 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.879 2.946 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.888 3.763 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.534 3.432 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.357 3.097 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.989 1.839 -2.417 1.00 0.00 H new ATOM 82 N LYS A 6 -0.033 2.158 -4.828 1.00 0.00 N ATOM 83 CA LYS A 6 1.350 2.019 -5.261 1.00 0.00 C ATOM 84 C LYS A 6 2.322 2.439 -4.163 1.00 0.00 C ATOM 85 O LYS A 6 2.018 3.301 -3.338 1.00 0.00 O ATOM 86 CB LYS A 6 1.594 2.850 -6.520 1.00 0.00 C ATOM 87 CG LYS A 6 0.749 2.417 -7.708 1.00 0.00 C ATOM 88 CD LYS A 6 1.524 2.521 -9.010 1.00 0.00 C ATOM 89 CE LYS A 6 0.669 2.123 -10.202 1.00 0.00 C ATOM 90 NZ LYS A 6 0.571 3.217 -11.207 1.00 0.00 N ATOM 0 H LYS A 6 -0.198 2.929 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 6 1.526 0.967 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.387 3.897 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.648 2.783 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.415 1.390 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.145 3.038 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.880 3.543 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.404 1.880 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.093 1.236 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.330 1.855 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.020 2.905 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.143 4.056 -10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.522 3.455 -11.555 1.00 0.00 H new ATOM 104 N VAL A 7 3.496 1.818 -4.168 1.00 0.00 N ATOM 105 CA VAL A 7 4.539 2.105 -3.188 1.00 0.00 C ATOM 106 C VAL A 7 4.733 3.611 -3.003 1.00 0.00 C ATOM 107 O VAL A 7 4.686 4.373 -3.969 1.00 0.00 O ATOM 108 CB VAL A 7 5.878 1.467 -3.616 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.989 1.809 -2.635 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.726 -0.041 -3.755 1.00 0.00 C ATOM 0 H VAL A 7 3.752 1.103 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 7 4.218 1.675 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 7 6.155 1.879 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.919 1.346 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.117 2.891 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.727 1.436 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.678 -0.476 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.420 -0.466 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.970 -0.263 -4.509 1.00 0.00 H new ATOM 120 N PRO A 8 4.952 4.061 -1.753 1.00 0.00 N ATOM 121 CA PRO A 8 5.151 5.479 -1.449 1.00 0.00 C ATOM 122 C PRO A 8 6.541 5.970 -1.830 1.00 0.00 C ATOM 123 O PRO A 8 7.275 5.301 -2.558 1.00 0.00 O ATOM 124 CB PRO A 8 4.967 5.543 0.066 1.00 0.00 C ATOM 125 CG PRO A 8 5.385 4.197 0.553 1.00 0.00 C ATOM 126 CD PRO A 8 5.022 3.222 -0.539 1.00 0.00 C ATOM 0 HA PRO A 8 4.463 6.112 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.578 6.331 0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.931 5.756 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.455 4.172 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.877 3.945 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.771 2.436 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.070 2.731 -0.337 1.00 0.00 H new ATOM 134 N ASP A 9 6.892 7.150 -1.331 1.00 0.00 N ATOM 135 CA ASP A 9 8.189 7.752 -1.609 1.00 0.00 C ATOM 136 C ASP A 9 9.195 7.421 -0.508 1.00 0.00 C ATOM 137 O ASP A 9 9.340 8.171 0.458 1.00 0.00 O ATOM 138 CB ASP A 9 8.030 9.267 -1.736 1.00 0.00 C ATOM 139 CG ASP A 9 9.358 9.988 -1.864 1.00 0.00 C ATOM 140 OD1 ASP A 9 9.890 10.058 -2.991 1.00 0.00 O ATOM 141 OD2 ASP A 9 9.866 10.484 -0.835 1.00 0.00 O ATOM 0 H ASP A 9 6.291 7.711 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 9 8.569 7.344 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.414 9.491 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.498 9.646 -0.863 1.00 0.00 H new ATOM 146 N ILE A 10 9.893 6.301 -0.662 1.00 0.00 N ATOM 147 CA ILE A 10 10.890 5.884 0.321 1.00 0.00 C ATOM 148 C ILE A 10 12.289 6.317 -0.103 1.00 0.00 C ATOM 149 O ILE A 10 13.170 5.485 -0.320 1.00 0.00 O ATOM 150 CB ILE A 10 10.884 4.354 0.539 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.609 3.621 -0.775 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.855 3.970 1.593 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.550 4.008 -1.896 1.00 0.00 C ATOM 0 H ILE A 10 9.789 5.667 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 10 10.622 6.371 1.259 1.00 0.00 H new ATOM 0 HB ILE A 10 11.870 4.055 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.684 2.547 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.584 3.824 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.864 2.889 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.099 4.461 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.864 4.285 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.294 3.448 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.459 5.076 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.575 3.779 -1.606 1.00 0.00 H new ATOM 197 N GLU A 14 14.639 1.942 -5.791 1.00 0.00 N ATOM 198 CA GLU A 14 13.772 0.770 -5.851 1.00 0.00 C ATOM 199 C GLU A 14 14.132 -0.234 -4.764 1.00 0.00 C ATOM 200 O GLU A 14 14.988 0.027 -3.919 1.00 0.00 O ATOM 201 CB GLU A 14 13.873 0.108 -7.225 1.00 0.00 C ATOM 202 CG GLU A 14 13.538 1.042 -8.376 1.00 0.00 C ATOM 203 CD GLU A 14 14.760 1.440 -9.180 1.00 0.00 C ATOM 204 OE1 GLU A 14 15.887 1.133 -8.737 1.00 0.00 O ATOM 205 OE2 GLU A 14 14.591 2.056 -10.253 1.00 0.00 O ATOM 0 HA GLU A 14 12.747 1.101 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.884 -0.275 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.201 -0.749 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.817 0.557 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.058 1.939 -7.983 1.00 0.00 H new ATOM 212 N ASN A 15 13.464 -1.382 -4.797 1.00 0.00 N ATOM 213 CA ASN A 15 13.695 -2.444 -3.821 1.00 0.00 C ATOM 214 C ASN A 15 13.776 -1.890 -2.402 1.00 0.00 C ATOM 215 O ASN A 15 14.834 -1.443 -1.956 1.00 0.00 O ATOM 216 CB ASN A 15 14.975 -3.214 -4.158 1.00 0.00 C ATOM 217 CG ASN A 15 16.202 -2.326 -4.181 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.441 -1.600 -5.147 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.990 -2.377 -3.113 1.00 0.00 N ATOM 0 H ASN A 15 12.753 -1.603 -5.494 1.00 0.00 H new ATOM 0 HA ASN A 15 12.846 -3.126 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.120 -4.008 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.860 -3.694 -5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.830 -1.801 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.755 -2.993 -2.334 1.00 0.00 H new ATOM 226 N VAL A 16 12.650 -1.927 -1.697 1.00 0.00 N ATOM 227 CA VAL A 16 12.582 -1.436 -0.328 1.00 0.00 C ATOM 228 C VAL A 16 11.646 -2.303 0.506 1.00 0.00 C ATOM 229 O VAL A 16 10.446 -2.376 0.239 1.00 0.00 O ATOM 230 CB VAL A 16 12.103 0.026 -0.272 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.071 0.935 -1.016 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.699 0.150 -0.843 1.00 0.00 C ATOM 0 H VAL A 16 11.768 -2.294 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 16 13.591 -1.486 0.082 1.00 0.00 H new ATOM 0 HB VAL A 16 12.075 0.340 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.716 1.964 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.058 0.869 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.134 0.624 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.377 1.190 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.698 -0.183 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.014 -0.469 -0.263 1.00 0.00 H new ATOM 242 N ASP A 17 12.204 -2.970 1.506 1.00 0.00 N ATOM 243 CA ASP A 17 11.420 -3.844 2.370 1.00 0.00 C ATOM 244 C ASP A 17 10.314 -3.078 3.086 1.00 0.00 C ATOM 245 O ASP A 17 10.565 -2.057 3.730 1.00 0.00 O ATOM 246 CB ASP A 17 12.326 -4.524 3.397 1.00 0.00 C ATOM 247 CG ASP A 17 11.982 -5.988 3.592 1.00 0.00 C ATOM 248 OD1 ASP A 17 11.920 -6.723 2.584 1.00 0.00 O ATOM 249 OD2 ASP A 17 11.775 -6.399 4.753 1.00 0.00 O ATOM 0 H ASP A 17 13.196 -2.924 1.740 1.00 0.00 H new ATOM 0 HA ASP A 17 10.954 -4.601 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.364 -4.437 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.243 -4.004 4.351 1.00 0.00 H new ATOM 254 N ILE A 18 9.091 -3.588 2.981 1.00 0.00 N ATOM 255 CA ILE A 18 7.947 -2.974 3.628 1.00 0.00 C ATOM 256 C ILE A 18 8.103 -3.053 5.140 1.00 0.00 C ATOM 257 O ILE A 18 8.933 -3.810 5.642 1.00 0.00 O ATOM 258 CB ILE A 18 6.638 -3.667 3.191 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.391 -3.402 1.711 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.454 -3.191 4.021 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.077 -4.651 0.914 1.00 0.00 C ATOM 0 H ILE A 18 8.871 -4.430 2.450 1.00 0.00 H new ATOM 0 HA ILE A 18 7.898 -1.927 3.328 1.00 0.00 H new ATOM 0 HB ILE A 18 6.744 -4.739 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.564 -2.699 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.272 -2.921 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.549 -3.698 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.631 -3.419 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.333 -2.115 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.913 -4.385 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.913 -5.347 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.179 -5.121 1.314 1.00 0.00 H new ATOM 273 N ILE A 19 7.317 -2.271 5.864 1.00 0.00 N ATOM 274 CA ILE A 19 7.408 -2.275 7.320 1.00 0.00 C ATOM 275 C ILE A 19 6.038 -2.517 7.962 1.00 0.00 C ATOM 276 O ILE A 19 5.944 -3.158 9.007 1.00 0.00 O ATOM 277 CB ILE A 19 8.086 -0.968 7.881 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.397 -0.464 9.160 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.126 0.153 6.844 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.950 0.847 9.676 1.00 0.00 C ATOM 0 H ILE A 19 6.619 -1.635 5.478 1.00 0.00 H new ATOM 0 HA ILE A 19 8.057 -3.107 7.595 1.00 0.00 H new ATOM 0 HB ILE A 19 9.111 -1.247 8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.331 -0.346 8.965 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.497 -1.221 9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.602 1.033 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.695 -0.176 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.110 0.403 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.414 1.137 10.580 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.009 0.730 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.825 1.619 8.916 1.00 0.00 H new ATOM 292 N ALA A 20 4.987 -1.997 7.344 1.00 0.00 N ATOM 293 CA ALA A 20 3.645 -2.163 7.880 1.00 0.00 C ATOM 294 C ALA A 20 2.746 -2.919 6.909 1.00 0.00 C ATOM 295 O ALA A 20 2.901 -2.815 5.692 1.00 0.00 O ATOM 296 CB ALA A 20 3.049 -0.806 8.209 1.00 0.00 C ATOM 0 H ALA A 20 5.037 -1.461 6.478 1.00 0.00 H new ATOM 0 HA ALA A 20 3.714 -2.755 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.044 -0.938 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.672 -0.305 8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.002 -0.200 7.304 1.00 0.00 H new ATOM 302 N VAL A 21 1.806 -3.680 7.457 1.00 0.00 N ATOM 303 CA VAL A 21 0.880 -4.454 6.643 1.00 0.00 C ATOM 304 C VAL A 21 -0.550 -4.312 7.157 1.00 0.00 C ATOM 305 O VAL A 21 -0.846 -4.669 8.296 1.00 0.00 O ATOM 306 CB VAL A 21 1.261 -5.946 6.623 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.256 -6.519 8.032 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.320 -6.726 5.718 1.00 0.00 C ATOM 0 H VAL A 21 1.666 -3.777 8.463 1.00 0.00 H new ATOM 0 HA VAL A 21 0.941 -4.059 5.629 1.00 0.00 H new ATOM 0 HB VAL A 21 2.271 -6.038 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.528 -7.574 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.976 -5.979 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.261 -6.415 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.605 -7.778 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.702 -6.627 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.381 -6.332 4.703 1.00 0.00 H new ATOM 318 N GLU A 22 -1.431 -3.787 6.311 1.00 0.00 N ATOM 319 CA GLU A 22 -2.827 -3.599 6.687 1.00 0.00 C ATOM 320 C GLU A 22 -3.749 -3.796 5.487 1.00 0.00 C ATOM 321 O GLU A 22 -4.723 -3.064 5.312 1.00 0.00 O ATOM 322 CB GLU A 22 -3.034 -2.204 7.280 1.00 0.00 C ATOM 323 CG GLU A 22 -1.949 -1.792 8.262 1.00 0.00 C ATOM 324 CD GLU A 22 -2.441 -0.787 9.285 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.660 -0.518 9.315 1.00 0.00 O ATOM 326 OE2 GLU A 22 -1.606 -0.268 10.056 1.00 0.00 O ATOM 0 H GLU A 22 -1.204 -3.485 5.364 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.077 -4.348 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.074 -1.476 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.000 -2.173 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.575 -2.677 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.110 -1.365 7.713 1.00 0.00 H new ATOM 333 N VAL A 23 -3.435 -4.791 4.664 1.00 0.00 N ATOM 334 CA VAL A 23 -4.237 -5.087 3.483 1.00 0.00 C ATOM 335 C VAL A 23 -4.514 -6.582 3.368 1.00 0.00 C ATOM 336 O VAL A 23 -3.590 -7.385 3.233 1.00 0.00 O ATOM 337 CB VAL A 23 -3.546 -4.600 2.194 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.851 -3.132 1.946 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.044 -4.835 2.269 1.00 0.00 C ATOM 0 H VAL A 23 -2.631 -5.406 4.793 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.180 -4.554 3.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.938 -5.175 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.355 -2.807 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.928 -2.997 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.490 -2.538 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.575 -4.485 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.632 -4.289 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.848 -5.900 2.393 1.00 0.00 H new ATOM 349 N ASN A 24 -5.790 -6.946 3.425 1.00 0.00 N ATOM 350 CA ASN A 24 -6.194 -8.346 3.330 1.00 0.00 C ATOM 351 C ASN A 24 -7.344 -8.528 2.340 1.00 0.00 C ATOM 352 O ASN A 24 -7.965 -9.589 2.290 1.00 0.00 O ATOM 353 CB ASN A 24 -6.613 -8.864 4.703 1.00 0.00 C ATOM 354 CG ASN A 24 -5.581 -9.792 5.314 1.00 0.00 C ATOM 355 OD1 ASN A 24 -5.416 -10.931 4.875 1.00 0.00 O ATOM 356 ND2 ASN A 24 -4.882 -9.310 6.334 1.00 0.00 N ATOM 0 H ASN A 24 -6.564 -6.291 3.537 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.338 -8.916 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.778 -8.019 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.563 -9.391 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.175 -9.889 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.052 -8.360 6.665 1.00 0.00 H new ATOM 363 N VAL A 25 -7.622 -7.492 1.555 1.00 0.00 N ATOM 364 CA VAL A 25 -8.696 -7.547 0.572 1.00 0.00 C ATOM 365 C VAL A 25 -10.051 -7.743 1.249 1.00 0.00 C ATOM 366 O VAL A 25 -10.289 -8.759 1.902 1.00 0.00 O ATOM 367 CB VAL A 25 -8.462 -8.685 -0.439 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.619 -8.788 -1.423 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.147 -8.478 -1.175 1.00 0.00 C ATOM 0 H VAL A 25 -7.118 -6.605 1.581 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.698 -6.594 0.042 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.407 -9.624 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.428 -9.599 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.542 -8.988 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.716 -7.850 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.996 -9.290 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.175 -7.529 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.326 -8.466 -0.458 1.00 0.00 H new ATOM 379 N GLY A 26 -10.936 -6.764 1.086 1.00 0.00 N ATOM 380 CA GLY A 26 -12.255 -6.849 1.685 1.00 0.00 C ATOM 381 C GLY A 26 -12.490 -5.786 2.741 1.00 0.00 C ATOM 382 O GLY A 26 -13.634 -5.462 3.059 1.00 0.00 O ATOM 0 H GLY A 26 -10.763 -5.914 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.010 -6.753 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.383 -7.834 2.133 1.00 0.00 H new ATOM 386 N ASP A 27 -11.407 -5.245 3.287 1.00 0.00 N ATOM 387 CA ASP A 27 -11.502 -4.214 4.316 1.00 0.00 C ATOM 388 C ASP A 27 -12.032 -2.906 3.736 1.00 0.00 C ATOM 389 O ASP A 27 -11.656 -2.507 2.634 1.00 0.00 O ATOM 390 CB ASP A 27 -10.134 -3.977 4.961 1.00 0.00 C ATOM 391 CG ASP A 27 -9.017 -3.888 3.939 1.00 0.00 C ATOM 392 OD1 ASP A 27 -8.746 -4.906 3.268 1.00 0.00 O ATOM 393 OD2 ASP A 27 -8.415 -2.802 3.811 1.00 0.00 O ATOM 0 H ASP A 27 -10.453 -5.502 3.035 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.201 -4.564 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.165 -3.055 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.920 -4.787 5.659 1.00 0.00 H new ATOM 398 N THR A 28 -12.903 -2.242 4.488 1.00 0.00 N ATOM 399 CA THR A 28 -13.480 -0.976 4.052 1.00 0.00 C ATOM 400 C THR A 28 -12.458 0.150 4.174 1.00 0.00 C ATOM 401 O THR A 28 -12.199 0.652 5.268 1.00 0.00 O ATOM 402 CB THR A 28 -14.725 -0.643 4.876 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.694 -1.670 4.756 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.383 0.658 4.469 1.00 0.00 C ATOM 0 H THR A 28 -13.225 -2.560 5.402 1.00 0.00 H new ATOM 0 HA THR A 28 -13.767 -1.076 3.005 1.00 0.00 H new ATOM 0 HB THR A 28 -14.374 -0.547 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.482 -1.440 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.259 0.833 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.677 1.478 4.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.688 0.600 3.424 1.00 0.00 H new ATOM 412 N ILE A 29 -11.876 0.537 3.045 1.00 0.00 N ATOM 413 CA ILE A 29 -10.876 1.596 3.022 1.00 0.00 C ATOM 414 C ILE A 29 -11.523 2.971 2.885 1.00 0.00 C ATOM 415 O ILE A 29 -12.621 3.101 2.344 1.00 0.00 O ATOM 416 CB ILE A 29 -9.880 1.394 1.865 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.632 1.193 0.548 1.00 0.00 C ATOM 418 CG2 ILE A 29 -8.972 0.207 2.151 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.237 2.177 -0.531 1.00 0.00 C ATOM 0 H ILE A 29 -12.081 0.132 2.132 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.343 1.547 3.971 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.261 2.286 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.453 0.180 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.703 1.280 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.273 0.076 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.416 0.387 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.575 -0.694 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.810 1.974 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.443 3.192 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.173 2.075 -0.745 1.00 0.00 H new ATOM 431 N ALA A 30 -10.830 3.993 3.375 1.00 0.00 N ATOM 432 CA ALA A 30 -11.328 5.361 3.306 1.00 0.00 C ATOM 433 C ALA A 30 -10.320 6.271 2.612 1.00 0.00 C ATOM 434 O ALA A 30 -9.300 5.805 2.103 1.00 0.00 O ATOM 435 CB ALA A 30 -11.639 5.882 4.701 1.00 0.00 C ATOM 0 H ALA A 30 -9.920 3.899 3.825 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.247 5.360 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.010 6.905 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.397 5.251 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.733 5.864 5.306 1.00 0.00 H new ATOM 441 N VAL A 31 -10.608 7.568 2.590 1.00 0.00 N ATOM 442 CA VAL A 31 -9.722 8.536 1.954 1.00 0.00 C ATOM 443 C VAL A 31 -8.691 9.079 2.940 1.00 0.00 C ATOM 444 O VAL A 31 -8.409 10.277 2.960 1.00 0.00 O ATOM 445 CB VAL A 31 -10.513 9.716 1.359 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.630 10.541 0.437 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.745 9.215 0.619 1.00 0.00 C ATOM 0 H VAL A 31 -11.447 7.973 3.005 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.208 8.008 1.151 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.843 10.356 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.207 11.370 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.782 10.932 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.267 9.913 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.291 10.063 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.439 8.551 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.389 8.671 1.310 1.00 0.00 H new ATOM 457 N ASP A 32 -8.128 8.187 3.757 1.00 0.00 N ATOM 458 CA ASP A 32 -7.125 8.567 4.750 1.00 0.00 C ATOM 459 C ASP A 32 -6.955 7.465 5.789 1.00 0.00 C ATOM 460 O ASP A 32 -7.393 7.603 6.931 1.00 0.00 O ATOM 461 CB ASP A 32 -7.513 9.876 5.448 1.00 0.00 C ATOM 462 CG ASP A 32 -8.990 9.935 5.785 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.413 9.232 6.727 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.724 10.685 5.108 1.00 0.00 O ATOM 0 H ASP A 32 -8.352 7.192 3.749 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.180 8.715 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.930 9.984 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.256 10.718 4.805 1.00 0.00 H new ATOM 469 N ASP A 33 -6.319 6.367 5.389 1.00 0.00 N ATOM 470 CA ASP A 33 -6.099 5.245 6.293 1.00 0.00 C ATOM 471 C ASP A 33 -4.806 4.520 5.949 1.00 0.00 C ATOM 472 O ASP A 33 -4.678 3.938 4.872 1.00 0.00 O ATOM 473 CB ASP A 33 -7.277 4.271 6.228 1.00 0.00 C ATOM 474 CG ASP A 33 -7.491 3.713 4.835 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.205 4.359 4.039 1.00 0.00 O ATOM 476 OD2 ASP A 33 -6.944 2.630 4.539 1.00 0.00 O ATOM 0 H ASP A 33 -5.949 6.232 4.448 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.018 5.637 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.104 3.449 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.184 4.780 6.556 1.00 0.00 H new ATOM 481 N THR A 34 -3.846 4.561 6.866 1.00 0.00 N ATOM 482 CA THR A 34 -2.565 3.906 6.650 1.00 0.00 C ATOM 483 C THR A 34 -2.744 2.444 6.283 1.00 0.00 C ATOM 484 O THR A 34 -3.218 1.638 7.085 1.00 0.00 O ATOM 485 CB THR A 34 -1.678 4.023 7.877 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.452 4.190 9.052 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.699 5.173 7.794 1.00 0.00 C ATOM 0 H THR A 34 -3.932 5.040 7.763 1.00 0.00 H new ATOM 0 HA THR A 34 -2.082 4.415 5.816 1.00 0.00 H new ATOM 0 HB THR A 34 -1.115 3.090 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.858 4.261 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.095 5.203 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.050 5.036 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.246 6.110 7.692 1.00 0.00 H new ATOM 495 N LEU A 35 -2.345 2.109 5.066 1.00 0.00 N ATOM 496 CA LEU A 35 -2.435 0.746 4.576 1.00 0.00 C ATOM 497 C LEU A 35 -1.163 -0.007 4.931 1.00 0.00 C ATOM 498 O LEU A 35 -1.208 -1.163 5.345 1.00 0.00 O ATOM 499 CB LEU A 35 -2.651 0.734 3.060 1.00 0.00 C ATOM 500 CG LEU A 35 -3.954 1.381 2.588 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.028 1.388 1.070 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.153 0.655 3.178 1.00 0.00 C ATOM 0 H LEU A 35 -1.953 2.770 4.396 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.287 0.256 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.815 1.247 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.629 -0.299 2.713 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.971 2.414 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.962 1.852 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.187 1.953 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.988 0.364 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.072 1.129 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.140 -0.387 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.108 0.703 4.266 1.00 0.00 H new ATOM 514 N ILE A 36 -0.028 0.674 4.784 1.00 0.00 N ATOM 515 CA ILE A 36 1.266 0.081 5.108 1.00 0.00 C ATOM 516 C ILE A 36 2.324 1.147 5.349 1.00 0.00 C ATOM 517 O ILE A 36 2.048 2.344 5.286 1.00 0.00 O ATOM 518 CB ILE A 36 1.768 -0.880 4.000 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.784 -0.229 2.605 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.907 -2.125 3.974 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.384 1.161 2.543 1.00 0.00 C ATOM 0 H ILE A 36 0.021 1.634 4.443 1.00 0.00 H new ATOM 0 HA ILE A 36 1.110 -0.491 6.022 1.00 0.00 H new ATOM 0 HB ILE A 36 2.799 -1.138 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.340 -0.877 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.760 -0.181 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.263 -2.798 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.964 -2.627 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.127 -1.848 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.347 1.528 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.817 1.831 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.421 1.125 2.878 1.00 0.00 H new ATOM 533 N THR A 37 3.542 0.693 5.590 1.00 0.00 N ATOM 534 CA THR A 37 4.668 1.579 5.803 1.00 0.00 C ATOM 535 C THR A 37 5.861 1.052 5.022 1.00 0.00 C ATOM 536 O THR A 37 6.158 -0.142 5.064 1.00 0.00 O ATOM 537 CB THR A 37 5.002 1.686 7.291 1.00 0.00 C ATOM 538 OG1 THR A 37 3.841 1.984 8.046 1.00 0.00 O ATOM 539 CG2 THR A 37 6.032 2.754 7.597 1.00 0.00 C ATOM 0 H THR A 37 3.776 -0.298 5.643 1.00 0.00 H new ATOM 0 HA THR A 37 4.414 2.579 5.451 1.00 0.00 H new ATOM 0 HB THR A 37 5.414 0.715 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.075 2.047 8.995 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.224 2.778 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.958 2.529 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.656 3.725 7.274 1.00 0.00 H new ATOM 547 N LEU A 38 6.536 1.932 4.301 1.00 0.00 N ATOM 548 CA LEU A 38 7.687 1.529 3.506 1.00 0.00 C ATOM 549 C LEU A 38 8.957 2.197 4.013 1.00 0.00 C ATOM 550 O LEU A 38 8.916 3.299 4.558 1.00 0.00 O ATOM 551 CB LEU A 38 7.460 1.887 2.037 1.00 0.00 C ATOM 552 CG LEU A 38 6.619 0.890 1.236 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.013 -0.541 1.557 1.00 0.00 C ATOM 554 CD2 LEU A 38 5.140 1.114 1.504 1.00 0.00 C ATOM 0 H LEU A 38 6.310 2.925 4.249 1.00 0.00 H new ATOM 0 HA LEU A 38 7.806 0.449 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.977 2.863 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.431 1.988 1.552 1.00 0.00 H new ATOM 0 HG LEU A 38 6.810 1.057 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.399 -1.227 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.063 -0.694 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.860 -0.731 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.553 0.398 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.938 0.977 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.866 2.127 1.210 1.00 0.00 H new ATOM 566 N GLU A 39 10.087 1.523 3.832 1.00 0.00 N ATOM 567 CA GLU A 39 11.366 2.059 4.274 1.00 0.00 C ATOM 568 C GLU A 39 12.524 1.385 3.547 1.00 0.00 C ATOM 569 O GLU A 39 12.361 0.324 2.943 1.00 0.00 O ATOM 570 CB GLU A 39 11.519 1.884 5.784 1.00 0.00 C ATOM 571 CG GLU A 39 12.893 2.268 6.307 1.00 0.00 C ATOM 572 CD GLU A 39 12.993 2.164 7.816 1.00 0.00 C ATOM 573 OE1 GLU A 39 12.568 1.128 8.370 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.497 3.118 8.446 1.00 0.00 O ATOM 0 H GLU A 39 10.142 0.608 3.384 1.00 0.00 H new ATOM 0 HA GLU A 39 11.388 3.122 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.766 2.489 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.319 0.844 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.644 1.623 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.122 3.289 6.001 1.00 0.00 H new ATOM 581 N THR A 40 13.690 2.016 3.606 1.00 0.00 N ATOM 582 CA THR A 40 14.882 1.488 2.952 1.00 0.00 C ATOM 583 C THR A 40 16.078 1.528 3.899 1.00 0.00 C ATOM 584 O THR A 40 16.411 0.531 4.540 1.00 0.00 O ATOM 585 CB THR A 40 15.188 2.282 1.665 1.00 0.00 C ATOM 586 OG1 THR A 40 16.584 2.436 1.476 1.00 0.00 O ATOM 587 CG2 THR A 40 14.567 3.666 1.634 1.00 0.00 C ATOM 0 H THR A 40 13.836 2.896 4.101 1.00 0.00 H new ATOM 0 HA THR A 40 14.692 0.449 2.682 1.00 0.00 H new ATOM 0 HB THR A 40 14.745 1.688 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.833 3.371 1.628 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.827 4.161 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.483 3.580 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.944 4.253 2.472 1.00 0.00 H new ATOM 595 N ASP A 41 16.718 2.687 3.979 1.00 0.00 N ATOM 596 CA ASP A 41 17.878 2.866 4.842 1.00 0.00 C ATOM 597 C ASP A 41 17.889 4.264 5.453 1.00 0.00 C ATOM 598 O ASP A 41 18.163 4.430 6.642 1.00 0.00 O ATOM 599 CB ASP A 41 19.167 2.631 4.054 1.00 0.00 C ATOM 600 CG ASP A 41 19.392 3.684 2.987 1.00 0.00 C ATOM 601 OD1 ASP A 41 18.506 3.854 2.123 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.456 4.339 3.014 1.00 0.00 O ATOM 0 H ASP A 41 16.452 3.520 3.454 1.00 0.00 H new ATOM 0 HA ASP A 41 17.816 2.136 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.014 2.627 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.130 1.647 3.587 1.00 0.00 H new ATOM 607 N LYS A 42 17.592 5.265 4.632 1.00 0.00 N ATOM 608 CA LYS A 42 17.568 6.649 5.093 1.00 0.00 C ATOM 609 C LYS A 42 16.265 7.333 4.693 1.00 0.00 C ATOM 610 O LYS A 42 16.265 8.483 4.252 1.00 0.00 O ATOM 611 CB LYS A 42 18.759 7.419 4.518 1.00 0.00 C ATOM 612 CG LYS A 42 19.490 8.266 5.545 1.00 0.00 C ATOM 613 CD LYS A 42 18.562 9.280 6.196 1.00 0.00 C ATOM 614 CE LYS A 42 18.799 10.680 5.652 1.00 0.00 C ATOM 615 NZ LYS A 42 17.942 11.692 6.329 1.00 0.00 N ATOM 0 H LYS A 42 17.365 5.145 3.645 1.00 0.00 H new ATOM 0 HA LYS A 42 17.636 6.646 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.461 6.710 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.409 8.063 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.919 7.620 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.319 8.786 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.526 8.991 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.717 9.276 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.848 10.947 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.598 10.692 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.134 12.633 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.941 11.452 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.152 11.699 7.348 1.00 0.00 H new ATOM 629 N ALA A 43 15.155 6.618 4.849 1.00 0.00 N ATOM 630 CA ALA A 43 13.846 7.158 4.503 1.00 0.00 C ATOM 631 C ALA A 43 12.732 6.184 4.874 1.00 0.00 C ATOM 632 O ALA A 43 12.817 4.990 4.588 1.00 0.00 O ATOM 633 CB ALA A 43 13.788 7.488 3.020 1.00 0.00 C ATOM 0 H ALA A 43 15.136 5.665 5.212 1.00 0.00 H new ATOM 0 HA ALA A 43 13.696 8.074 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.805 7.890 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.553 8.227 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.965 6.583 2.439 1.00 0.00 H new ATOM 639 N THR A 44 11.689 6.704 5.510 1.00 0.00 N ATOM 640 CA THR A 44 10.554 5.885 5.920 1.00 0.00 C ATOM 641 C THR A 44 9.243 6.511 5.457 1.00 0.00 C ATOM 642 O THR A 44 8.906 7.628 5.848 1.00 0.00 O ATOM 643 CB THR A 44 10.543 5.716 7.440 1.00 0.00 C ATOM 644 OG1 THR A 44 10.052 6.886 8.071 1.00 0.00 O ATOM 645 CG2 THR A 44 11.908 5.420 8.019 1.00 0.00 C ATOM 0 H THR A 44 11.605 7.691 5.754 1.00 0.00 H new ATOM 0 HA THR A 44 10.655 4.905 5.455 1.00 0.00 H new ATOM 0 HB THR A 44 9.893 4.862 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.838 7.559 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.829 5.312 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.293 4.495 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.588 6.239 7.785 1.00 0.00 H new ATOM 653 N MET A 45 8.511 5.788 4.616 1.00 0.00 N ATOM 654 CA MET A 45 7.240 6.282 4.096 1.00 0.00 C ATOM 655 C MET A 45 6.074 5.398 4.531 1.00 0.00 C ATOM 656 O MET A 45 6.216 4.541 5.404 1.00 0.00 O ATOM 657 CB MET A 45 7.287 6.359 2.570 1.00 0.00 C ATOM 658 CG MET A 45 7.223 7.778 2.033 1.00 0.00 C ATOM 659 SD MET A 45 5.811 8.700 2.673 1.00 0.00 S ATOM 660 CE MET A 45 5.556 9.887 1.355 1.00 0.00 C ATOM 0 H MET A 45 8.774 4.861 4.281 1.00 0.00 H new ATOM 0 HA MET A 45 7.082 7.279 4.507 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.204 5.887 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.456 5.786 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.142 8.303 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.170 7.748 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.713 10.532 1.604 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.453 10.494 1.233 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.346 9.359 0.425 1.00 0.00 H new ATOM 670 N ASP A 46 4.922 5.622 3.907 1.00 0.00 N ATOM 671 CA ASP A 46 3.715 4.862 4.208 1.00 0.00 C ATOM 672 C ASP A 46 2.579 5.296 3.289 1.00 0.00 C ATOM 673 O ASP A 46 2.684 6.314 2.604 1.00 0.00 O ATOM 674 CB ASP A 46 3.311 5.055 5.671 1.00 0.00 C ATOM 675 CG ASP A 46 2.884 6.478 5.970 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.652 7.409 5.648 1.00 0.00 O ATOM 677 OD2 ASP A 46 1.780 6.662 6.525 1.00 0.00 O ATOM 0 H ASP A 46 4.799 6.330 3.183 1.00 0.00 H new ATOM 0 HA ASP A 46 3.921 3.805 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.494 4.375 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.149 4.787 6.315 1.00 0.00 H new ATOM 682 N VAL A 47 1.496 4.526 3.269 1.00 0.00 N ATOM 683 CA VAL A 47 0.358 4.854 2.420 1.00 0.00 C ATOM 684 C VAL A 47 -0.917 5.023 3.239 1.00 0.00 C ATOM 685 O VAL A 47 -1.435 4.053 3.789 1.00 0.00 O ATOM 686 CB VAL A 47 0.120 3.770 1.352 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.065 4.137 0.470 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.374 3.564 0.513 1.00 0.00 C ATOM 0 H VAL A 47 1.383 3.679 3.825 1.00 0.00 H new ATOM 0 HA VAL A 47 0.600 5.797 1.929 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.111 2.833 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.217 3.359 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.961 4.230 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.867 5.086 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.188 2.795 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.637 4.498 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.196 3.252 1.157 1.00 0.00 H new ATOM 698 N PRO A 48 -1.446 6.261 3.325 1.00 0.00 N ATOM 699 CA PRO A 48 -2.666 6.557 4.070 1.00 0.00 C ATOM 700 C PRO A 48 -3.920 6.419 3.211 1.00 0.00 C ATOM 701 O PRO A 48 -4.891 7.151 3.395 1.00 0.00 O ATOM 702 CB PRO A 48 -2.452 8.013 4.463 1.00 0.00 C ATOM 703 CG PRO A 48 -1.713 8.600 3.307 1.00 0.00 C ATOM 704 CD PRO A 48 -0.896 7.479 2.699 1.00 0.00 C ATOM 0 HA PRO A 48 -2.825 5.877 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.400 8.524 4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.878 8.096 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.406 9.015 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.068 9.416 3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.999 7.452 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.166 7.595 2.916 1.00 0.00 H new ATOM 712 N ALA A 49 -3.891 5.480 2.270 1.00 0.00 N ATOM 713 CA ALA A 49 -5.026 5.252 1.381 1.00 0.00 C ATOM 714 C ALA A 49 -5.400 6.529 0.635 1.00 0.00 C ATOM 715 O ALA A 49 -4.989 7.624 1.017 1.00 0.00 O ATOM 716 CB ALA A 49 -6.218 4.729 2.170 1.00 0.00 C ATOM 0 H ALA A 49 -3.095 4.865 2.103 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.737 4.502 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.057 4.563 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.950 3.789 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.501 5.459 2.928 1.00 0.00 H new ATOM 722 N GLU A 50 -6.184 6.382 -0.430 1.00 0.00 N ATOM 723 CA GLU A 50 -6.612 7.529 -1.225 1.00 0.00 C ATOM 724 C GLU A 50 -7.878 7.212 -2.006 1.00 0.00 C ATOM 725 O GLU A 50 -7.984 7.530 -3.190 1.00 0.00 O ATOM 726 CB GLU A 50 -5.501 7.960 -2.185 1.00 0.00 C ATOM 727 CG GLU A 50 -5.307 9.467 -2.252 1.00 0.00 C ATOM 728 CD GLU A 50 -4.797 9.929 -3.604 1.00 0.00 C ATOM 729 OE1 GLU A 50 -5.003 9.202 -4.597 1.00 0.00 O ATOM 730 OE2 GLU A 50 -4.193 11.021 -3.667 1.00 0.00 O ATOM 0 H GLU A 50 -6.535 5.483 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.827 8.349 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.565 7.495 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.729 7.586 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.254 9.962 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.604 9.774 -1.478 1.00 0.00 H new ATOM 737 N VAL A 51 -8.837 6.582 -1.334 1.00 0.00 N ATOM 738 CA VAL A 51 -10.100 6.216 -1.965 1.00 0.00 C ATOM 739 C VAL A 51 -11.080 5.653 -0.939 1.00 0.00 C ATOM 740 O VAL A 51 -10.689 5.283 0.166 1.00 0.00 O ATOM 741 CB VAL A 51 -9.891 5.189 -3.095 1.00 0.00 C ATOM 742 CG1 VAL A 51 -9.689 5.904 -4.421 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.708 4.276 -2.791 1.00 0.00 C ATOM 0 H VAL A 51 -8.763 6.314 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.517 7.126 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.784 4.568 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.542 5.169 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.568 6.509 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.812 6.548 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.582 3.561 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.803 4.875 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.892 3.739 -1.861 1.00 0.00 H new ATOM 753 N ALA A 52 -12.358 5.603 -1.306 1.00 0.00 N ATOM 754 CA ALA A 52 -13.390 5.103 -0.404 1.00 0.00 C ATOM 755 C ALA A 52 -14.127 3.906 -0.983 1.00 0.00 C ATOM 756 O ALA A 52 -15.166 4.057 -1.622 1.00 0.00 O ATOM 757 CB ALA A 52 -14.384 6.201 -0.099 1.00 0.00 C ATOM 0 H ALA A 52 -12.702 5.902 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.892 4.780 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.151 5.820 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.869 7.037 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.849 6.538 -1.025 1.00 0.00 H new ATOM 763 N GLY A 53 -13.602 2.716 -0.745 1.00 0.00 N ATOM 764 CA GLY A 53 -14.247 1.523 -1.251 1.00 0.00 C ATOM 765 C GLY A 53 -13.785 0.260 -0.552 1.00 0.00 C ATOM 766 O GLY A 53 -13.606 0.245 0.666 1.00 0.00 O ATOM 0 H GLY A 53 -12.746 2.554 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.326 1.623 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.049 1.434 -2.319 1.00 0.00 H new ATOM 770 N VAL A 54 -13.601 -0.804 -1.325 1.00 0.00 N ATOM 771 CA VAL A 54 -13.164 -2.082 -0.779 1.00 0.00 C ATOM 772 C VAL A 54 -11.999 -2.647 -1.583 1.00 0.00 C ATOM 773 O VAL A 54 -12.012 -2.615 -2.813 1.00 0.00 O ATOM 774 CB VAL A 54 -14.316 -3.104 -0.783 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.849 -4.446 -0.237 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.497 -2.578 0.018 1.00 0.00 C ATOM 0 H VAL A 54 -13.748 -0.806 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.842 -1.904 0.247 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.639 -3.252 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.679 -5.152 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.038 -4.828 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.495 -4.319 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.302 -3.313 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.187 -2.398 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.849 -1.646 -0.423 1.00 0.00 H new ATOM 786 N VAL A 55 -10.993 -3.167 -0.885 1.00 0.00 N ATOM 787 CA VAL A 55 -9.832 -3.736 -1.554 1.00 0.00 C ATOM 788 C VAL A 55 -10.165 -5.070 -2.205 1.00 0.00 C ATOM 789 O VAL A 55 -10.928 -5.869 -1.663 1.00 0.00 O ATOM 790 CB VAL A 55 -8.643 -3.943 -0.595 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.446 -4.518 -1.349 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.272 -2.636 0.089 1.00 0.00 C ATOM 0 H VAL A 55 -10.960 -3.205 0.134 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.546 -3.012 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.939 -4.656 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.614 -4.659 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.719 -5.478 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.149 -3.829 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.431 -2.803 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.994 -1.898 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.125 -2.269 0.659 1.00 0.00 H new ATOM 802 N LYS A 56 -9.565 -5.307 -3.361 1.00 0.00 N ATOM 803 CA LYS A 56 -9.765 -6.550 -4.090 1.00 0.00 C ATOM 804 C LYS A 56 -8.476 -7.342 -4.093 1.00 0.00 C ATOM 805 O LYS A 56 -8.462 -8.542 -3.821 1.00 0.00 O ATOM 806 CB LYS A 56 -10.188 -6.300 -5.544 1.00 0.00 C ATOM 807 CG LYS A 56 -10.437 -4.839 -5.889 1.00 0.00 C ATOM 808 CD LYS A 56 -11.755 -4.345 -5.314 1.00 0.00 C ATOM 809 CE LYS A 56 -12.939 -4.805 -6.150 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.594 -6.010 -5.571 1.00 0.00 N ATOM 0 H LYS A 56 -8.932 -4.650 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.562 -7.101 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.414 -6.689 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.096 -6.868 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.620 -4.229 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.443 -4.716 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.866 -4.710 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.745 -3.256 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.667 -3.997 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.604 -5.026 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.724 -6.726 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.996 -6.401 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.520 -5.747 -5.178 1.00 0.00 H new ATOM 824 N GLU A 57 -7.391 -6.653 -4.418 1.00 0.00 N ATOM 825 CA GLU A 57 -6.094 -7.287 -4.473 1.00 0.00 C ATOM 826 C GLU A 57 -5.176 -6.774 -3.367 1.00 0.00 C ATOM 827 O GLU A 57 -5.517 -5.842 -2.640 1.00 0.00 O ATOM 828 CB GLU A 57 -5.448 -7.062 -5.841 1.00 0.00 C ATOM 829 CG GLU A 57 -5.768 -8.152 -6.853 1.00 0.00 C ATOM 830 CD GLU A 57 -4.840 -9.346 -6.738 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.233 -9.526 -5.662 1.00 0.00 O ATOM 832 OE2 GLU A 57 -4.723 -10.102 -7.726 1.00 0.00 O ATOM 0 H GLU A 57 -7.389 -5.659 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.240 -8.356 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.780 -6.102 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.367 -6.999 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.797 -8.482 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.700 -7.739 -7.860 1.00 0.00 H new ATOM 839 N VAL A 58 -4.009 -7.397 -3.252 1.00 0.00 N ATOM 840 CA VAL A 58 -3.025 -7.022 -2.242 1.00 0.00 C ATOM 841 C VAL A 58 -1.660 -7.595 -2.596 1.00 0.00 C ATOM 842 O VAL A 58 -1.499 -8.807 -2.733 1.00 0.00 O ATOM 843 CB VAL A 58 -3.436 -7.523 -0.847 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.647 -9.027 -0.866 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.392 -7.137 0.190 1.00 0.00 C ATOM 0 H VAL A 58 -3.719 -8.170 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.974 -5.933 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.378 -7.048 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.937 -9.366 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.434 -9.275 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.721 -9.521 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.701 -7.500 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.433 -7.582 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.293 -6.052 0.220 1.00 0.00 H new ATOM 855 N LYS A 59 -0.685 -6.713 -2.757 1.00 0.00 N ATOM 856 CA LYS A 59 0.666 -7.124 -3.112 1.00 0.00 C ATOM 857 C LYS A 59 1.685 -6.445 -2.209 1.00 0.00 C ATOM 858 O LYS A 59 2.502 -5.645 -2.665 1.00 0.00 O ATOM 859 CB LYS A 59 0.950 -6.782 -4.576 1.00 0.00 C ATOM 860 CG LYS A 59 -0.291 -6.803 -5.459 1.00 0.00 C ATOM 861 CD LYS A 59 -0.028 -7.490 -6.787 1.00 0.00 C ATOM 862 CE LYS A 59 -1.129 -7.193 -7.793 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.829 -8.431 -8.231 1.00 0.00 N ATOM 0 H LYS A 59 -0.804 -5.706 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 59 0.748 -8.202 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.406 -5.793 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.679 -7.490 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.099 -7.317 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.626 -5.782 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.931 -7.159 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.046 -8.567 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.850 -6.506 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.702 -6.691 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.572 -8.186 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.146 -9.077 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.259 -8.897 -7.407 1.00 0.00 H new ATOM 877 N VAL A 60 1.622 -6.759 -0.921 1.00 0.00 N ATOM 878 CA VAL A 60 2.529 -6.170 0.053 1.00 0.00 C ATOM 879 C VAL A 60 2.354 -6.828 1.419 1.00 0.00 C ATOM 880 O VAL A 60 1.276 -7.321 1.754 1.00 0.00 O ATOM 881 CB VAL A 60 2.306 -4.636 0.155 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.828 -4.302 0.015 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.865 -4.056 1.453 1.00 0.00 C ATOM 0 H VAL A 60 0.951 -7.419 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 60 3.550 -6.346 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 60 2.854 -4.175 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.690 -3.223 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.467 -4.648 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.267 -4.795 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.685 -2.981 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.372 -4.527 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.937 -4.246 1.504 1.00 0.00 H new ATOM 893 N LYS A 61 3.427 -6.829 2.198 1.00 0.00 N ATOM 894 CA LYS A 61 3.409 -7.422 3.531 1.00 0.00 C ATOM 895 C LYS A 61 4.722 -7.153 4.257 1.00 0.00 C ATOM 896 O LYS A 61 5.653 -6.585 3.687 1.00 0.00 O ATOM 897 CB LYS A 61 3.156 -8.930 3.448 1.00 0.00 C ATOM 898 CG LYS A 61 3.722 -9.578 2.194 1.00 0.00 C ATOM 899 CD LYS A 61 2.662 -9.716 1.113 1.00 0.00 C ATOM 900 CE LYS A 61 2.653 -11.114 0.517 1.00 0.00 C ATOM 901 NZ LYS A 61 2.099 -11.125 -0.865 1.00 0.00 N ATOM 0 H LYS A 61 4.324 -6.425 1.930 1.00 0.00 H new ATOM 0 HA LYS A 61 2.597 -6.962 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.592 -9.411 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.082 -9.112 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.552 -8.981 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.123 -10.561 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.681 -9.492 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.846 -8.985 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.669 -11.510 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.061 -11.775 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.110 -12.097 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.121 -10.771 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.678 -10.515 -1.476 1.00 0.00 H new ATOM 915 N VAL A 62 4.791 -7.565 5.516 1.00 0.00 N ATOM 916 CA VAL A 62 5.991 -7.367 6.317 1.00 0.00 C ATOM 917 C VAL A 62 7.056 -8.408 5.983 1.00 0.00 C ATOM 918 O VAL A 62 7.369 -9.272 6.801 1.00 0.00 O ATOM 919 CB VAL A 62 5.675 -7.437 7.823 1.00 0.00 C ATOM 920 CG1 VAL A 62 6.934 -7.212 8.646 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.600 -6.425 8.190 1.00 0.00 C ATOM 0 H VAL A 62 4.030 -8.038 6.004 1.00 0.00 H new ATOM 0 HA VAL A 62 6.372 -6.374 6.077 1.00 0.00 H new ATOM 0 HB VAL A 62 5.296 -8.434 8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.690 -7.265 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.669 -7.980 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.347 -6.229 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.390 -6.489 9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.948 -5.421 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.691 -6.639 7.628 1.00 0.00 H new ATOM 931 N GLY A 63 7.609 -8.321 4.776 1.00 0.00 N ATOM 932 CA GLY A 63 8.632 -9.262 4.362 1.00 0.00 C ATOM 933 C GLY A 63 8.787 -9.340 2.855 1.00 0.00 C ATOM 934 O GLY A 63 8.686 -10.419 2.271 1.00 0.00 O ATOM 0 H GLY A 63 7.367 -7.616 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.585 -8.974 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.387 -10.251 4.749 1.00 0.00 H new ATOM 938 N ASP A 64 9.037 -8.197 2.224 1.00 0.00 N ATOM 939 CA ASP A 64 9.210 -8.150 0.775 1.00 0.00 C ATOM 940 C ASP A 64 9.651 -6.761 0.321 1.00 0.00 C ATOM 941 O ASP A 64 9.080 -5.750 0.731 1.00 0.00 O ATOM 942 CB ASP A 64 7.911 -8.545 0.069 1.00 0.00 C ATOM 943 CG ASP A 64 6.753 -7.636 0.432 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.353 -7.630 1.615 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.248 -6.932 -0.466 1.00 0.00 O ATOM 0 H ASP A 64 9.124 -7.294 2.690 1.00 0.00 H new ATOM 0 HA ASP A 64 9.990 -8.862 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.065 -8.519 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.658 -9.573 0.330 1.00 0.00 H new ATOM 950 N LYS A 65 10.671 -6.722 -0.530 1.00 0.00 N ATOM 951 CA LYS A 65 11.196 -5.462 -1.046 1.00 0.00 C ATOM 952 C LYS A 65 10.277 -4.891 -2.120 1.00 0.00 C ATOM 953 O LYS A 65 10.040 -5.524 -3.148 1.00 0.00 O ATOM 954 CB LYS A 65 12.601 -5.665 -1.616 1.00 0.00 C ATOM 955 CG LYS A 65 13.565 -6.323 -0.642 1.00 0.00 C ATOM 956 CD LYS A 65 14.789 -5.454 -0.398 1.00 0.00 C ATOM 957 CE LYS A 65 15.960 -5.887 -1.265 1.00 0.00 C ATOM 958 NZ LYS A 65 16.454 -7.243 -0.896 1.00 0.00 N ATOM 0 H LYS A 65 11.152 -7.551 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 65 11.246 -4.752 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.534 -6.276 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.005 -4.698 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.057 -6.511 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.877 -7.291 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.545 -4.413 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.073 -5.510 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.657 -5.884 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.771 -5.166 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.457 -7.331 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.351 -7.383 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.900 -7.964 -1.401 1.00 0.00 H new ATOM 972 N ILE A 66 9.761 -3.693 -1.872 1.00 0.00 N ATOM 973 CA ILE A 66 8.864 -3.037 -2.812 1.00 0.00 C ATOM 974 C ILE A 66 9.581 -1.911 -3.565 1.00 0.00 C ATOM 975 O ILE A 66 10.720 -1.573 -3.255 1.00 0.00 O ATOM 976 CB ILE A 66 7.594 -2.515 -2.077 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.351 -2.829 -2.906 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.670 -1.025 -1.745 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.146 -4.313 -3.100 1.00 0.00 C ATOM 0 H ILE A 66 9.950 -3.156 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 66 8.546 -3.770 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 66 7.533 -3.035 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.474 -2.405 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.436 -2.347 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.757 -0.719 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.528 -0.840 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.780 -0.452 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.249 -4.482 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.009 -4.735 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.032 -4.795 -2.129 1.00 0.00 H new ATOM 991 N SER A 67 8.908 -1.336 -4.557 1.00 0.00 N ATOM 992 CA SER A 67 9.493 -0.254 -5.343 1.00 0.00 C ATOM 993 C SER A 67 8.439 0.779 -5.736 1.00 0.00 C ATOM 994 O SER A 67 7.326 0.428 -6.127 1.00 0.00 O ATOM 995 CB SER A 67 10.165 -0.813 -6.597 1.00 0.00 C ATOM 996 OG SER A 67 10.966 -1.942 -6.288 1.00 0.00 O ATOM 0 H SER A 67 7.962 -1.599 -4.835 1.00 0.00 H new ATOM 0 HA SER A 67 10.241 0.241 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.405 -1.092 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.782 -0.041 -7.058 1.00 0.00 H new ATOM 0 HG SER A 67 11.383 -2.281 -7.107 1.00 0.00 H new ATOM 1002 N GLU A 68 8.804 2.058 -5.632 1.00 0.00 N ATOM 1003 CA GLU A 68 7.904 3.161 -5.977 1.00 0.00 C ATOM 1004 C GLU A 68 7.103 2.848 -7.238 1.00 0.00 C ATOM 1005 O GLU A 68 7.661 2.433 -8.253 1.00 0.00 O ATOM 1006 CB GLU A 68 8.705 4.449 -6.180 1.00 0.00 C ATOM 1007 CG GLU A 68 9.297 5.005 -4.896 1.00 0.00 C ATOM 1008 CD GLU A 68 10.494 5.902 -5.147 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.936 5.991 -6.311 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.988 6.517 -4.178 1.00 0.00 O ATOM 0 H GLU A 68 9.724 2.357 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 68 7.204 3.294 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.511 4.258 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.058 5.203 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.532 5.567 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.595 4.179 -4.250 1.00 0.00 H new ATOM 1017 N GLY A 69 5.791 3.042 -7.162 1.00 0.00 N ATOM 1018 CA GLY A 69 4.939 2.767 -8.303 1.00 0.00 C ATOM 1019 C GLY A 69 4.791 1.280 -8.557 1.00 0.00 C ATOM 1020 O GLY A 69 5.176 0.783 -9.615 1.00 0.00 O ATOM 0 H GLY A 69 5.304 3.384 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.955 3.206 -8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.354 3.246 -9.189 1.00 0.00 H new ATOM 1024 N GLY A 70 4.231 0.567 -7.584 1.00 0.00 N ATOM 1025 CA GLY A 70 4.043 -0.863 -7.727 1.00 0.00 C ATOM 1026 C GLY A 70 2.646 -1.295 -7.343 1.00 0.00 C ATOM 1027 O GLY A 70 2.155 -0.952 -6.268 1.00 0.00 O ATOM 0 H GLY A 70 3.904 0.956 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.241 -1.153 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.768 -1.387 -7.104 1.00 0.00 H new ATOM 1031 N LEU A 71 2.001 -2.050 -8.222 1.00 0.00 N ATOM 1032 CA LEU A 71 0.649 -2.524 -7.964 1.00 0.00 C ATOM 1033 C LEU A 71 0.578 -3.232 -6.620 1.00 0.00 C ATOM 1034 O LEU A 71 0.867 -4.424 -6.515 1.00 0.00 O ATOM 1035 CB LEU A 71 0.182 -3.459 -9.082 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.318 -3.773 -9.085 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.135 -2.523 -8.784 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.729 -4.370 -10.423 1.00 0.00 C ATOM 0 H LEU A 71 2.391 -2.346 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.015 -1.660 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.446 -3.013 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.733 -4.396 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.517 -4.503 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.196 -2.771 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.860 -2.136 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.934 -1.766 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.797 -4.588 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.513 -3.659 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.172 -5.291 -10.597 1.00 0.00 H new ATOM 1050 N ILE A 72 0.200 -2.482 -5.594 1.00 0.00 N ATOM 1051 CA ILE A 72 0.098 -3.022 -4.249 1.00 0.00 C ATOM 1052 C ILE A 72 -1.323 -3.523 -3.967 1.00 0.00 C ATOM 1053 O ILE A 72 -1.582 -4.725 -4.015 1.00 0.00 O ATOM 1054 CB ILE A 72 0.551 -1.957 -3.208 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.056 -2.078 -2.976 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.193 -2.074 -1.878 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.769 -0.749 -2.976 1.00 0.00 C ATOM 0 H ILE A 72 -0.042 -1.494 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 72 0.764 -3.880 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 72 0.309 -0.977 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.231 -2.576 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.486 -2.713 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.165 -1.306 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.262 -1.941 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.013 -3.058 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.834 -0.907 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.624 -0.258 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.365 -0.119 -2.183 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.234 -2.606 -3.668 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.611 -2.984 -3.376 1.00 0.00 C ATOM 1071 C VAL A 73 -4.606 -2.217 -4.240 1.00 0.00 C ATOM 1072 O VAL A 73 -4.477 -1.013 -4.443 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.957 -2.757 -1.892 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.987 -3.511 -0.996 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.956 -1.272 -1.562 1.00 0.00 C ATOM 0 H VAL A 73 -2.047 -1.604 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.690 -4.047 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.960 -3.144 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.247 -3.339 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.045 -4.578 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.972 -3.158 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.203 -1.133 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.969 -0.856 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.696 -0.762 -2.178 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.607 -2.932 -4.733 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.643 -2.338 -5.564 1.00 0.00 C ATOM 1087 C VAL A 74 -7.953 -2.272 -4.787 1.00 0.00 C ATOM 1088 O VAL A 74 -8.315 -3.226 -4.101 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.850 -3.160 -6.851 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.973 -2.578 -7.697 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.556 -3.239 -7.647 1.00 0.00 C ATOM 0 H VAL A 74 -5.723 -3.932 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.328 -1.332 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.139 -4.171 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.097 -3.177 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.901 -2.586 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.726 -1.553 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.721 -3.823 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.233 -2.234 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.785 -3.717 -7.042 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.653 -1.145 -4.879 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.907 -0.981 -4.160 1.00 0.00 C ATOM 1103 C VAL A 75 -11.052 -0.577 -5.079 1.00 0.00 C ATOM 1104 O VAL A 75 -10.842 -0.200 -6.232 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.777 0.067 -3.041 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -9.211 -0.566 -1.780 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -8.917 1.238 -3.492 1.00 0.00 C ATOM 0 H VAL A 75 -8.374 -0.340 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.134 -1.955 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.772 0.449 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.126 0.190 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.875 -1.362 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.225 -0.981 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.840 1.965 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.921 0.879 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.372 1.710 -4.363 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.269 -0.660 -4.548 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.465 -0.307 -5.300 1.00 0.00 C ATOM 1119 C GLU A 76 -13.548 1.203 -5.499 1.00 0.00 C ATOM 1120 O GLU A 76 -13.936 1.676 -6.566 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.714 -0.810 -4.572 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.787 -1.345 -5.506 1.00 0.00 C ATOM 1123 CD GLU A 76 -17.066 -1.709 -4.776 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.309 -1.147 -3.688 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.824 -2.557 -5.293 1.00 0.00 O ATOM 0 H GLU A 76 -12.451 -0.971 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.409 -0.783 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.426 -1.596 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.132 0.004 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.008 -0.596 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.406 -2.225 -6.025 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.166 1.950 -4.465 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.178 3.405 -4.510 1.00 0.00 C ATOM 1134 C ALA A 77 -14.557 3.959 -4.856 1.00 0.00 C ATOM 1135 O ALA A 77 -15.144 3.618 -5.882 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.142 3.893 -5.498 1.00 0.00 C ATOM 0 H ALA A 77 -12.842 1.563 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.931 3.773 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.154 4.982 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.155 3.549 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.370 3.499 -6.489 1.00 0.00 H new