USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 1 ALA N :NH3+ -148:sc= 0.677 (180deg=-1.54!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -153:sc= 0.663 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0213 (180deg=-0.28) USER MOD Single : A 10 SER OG : rot -45:sc= -0.517 USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -0.0153 (180deg=-1.85) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= -0.446 (180deg=-3.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 29 SER OG : rot -37:sc= 0.271 USER MOD Single : A 41 THR OG1 : rot 31:sc= 0.273 USER MOD Single : A 46 MET CE :methyl 169:sc= -0.404 (180deg=-0.869) USER MOD Single : A 47 ASN : amide:sc= -3.24! C(o=-3.2!,f=-6.1!) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.43! C(o=-6.3!,f=-1.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.857 K(o=-0.86,f=-2.1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -113:sc= 0.942 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.17 F(o=-5.5!,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.113 -3.594 6.696 1.00 1.00 N ATOM 2 CA ALA A 1 -9.988 -3.709 5.216 1.00 1.00 C ATOM 3 C ALA A 1 -10.292 -5.144 4.791 1.00 1.00 C ATOM 4 O ALA A 1 -10.353 -6.049 5.625 1.00 1.00 O ATOM 5 CB ALA A 1 -8.566 -3.329 4.794 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.445 -2.640 6.943 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.795 -4.298 7.043 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.186 -3.764 7.137 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.696 -3.035 4.734 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.473 -3.413 3.711 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.358 -2.303 5.098 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.853 -4.000 5.272 1.00 1.00 H new ATOM 13 N LYS A 2 -10.477 -5.348 3.491 1.00 1.00 N ATOM 14 CA LYS A 2 -10.768 -6.677 2.966 1.00 1.00 C ATOM 15 C LYS A 2 -9.486 -7.494 2.858 1.00 1.00 C ATOM 16 O LYS A 2 -8.418 -6.954 2.587 1.00 1.00 O ATOM 17 CB LYS A 2 -11.426 -6.564 1.594 1.00 1.00 C ATOM 18 CG LYS A 2 -12.801 -5.912 1.740 1.00 1.00 C ATOM 19 CD LYS A 2 -13.457 -5.790 0.364 1.00 1.00 C ATOM 20 CE LYS A 2 -14.838 -5.147 0.513 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.475 -5.025 -0.829 1.00 1.00 N ATOM 0 H LYS A 2 -10.431 -4.614 2.784 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.451 -7.181 3.650 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.800 -5.972 0.926 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.526 -7.552 1.144 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.429 -6.508 2.402 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.701 -4.927 2.196 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -12.833 -5.188 -0.296 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.550 -6.774 -0.095 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.463 -5.751 1.171 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -14.746 -4.164 0.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.414 -4.588 -0.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -14.881 -4.432 -1.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.576 -5.969 -1.253 1.00 1.00 H new ATOM 35 N LYS A 3 -9.597 -8.795 3.071 1.00 1.00 N ATOM 36 CA LYS A 3 -8.431 -9.673 3.005 1.00 1.00 C ATOM 37 C LYS A 3 -7.784 -9.605 1.630 1.00 1.00 C ATOM 38 O LYS A 3 -6.557 -9.574 1.513 1.00 1.00 O ATOM 39 CB LYS A 3 -8.852 -11.111 3.286 1.00 1.00 C ATOM 40 CG LYS A 3 -9.380 -11.229 4.718 1.00 1.00 C ATOM 41 CD LYS A 3 -9.620 -12.705 5.063 1.00 1.00 C ATOM 42 CE LYS A 3 -10.726 -13.280 4.169 1.00 1.00 C ATOM 43 NZ LYS A 3 -11.252 -14.533 4.778 1.00 1.00 N ATOM 0 H LYS A 3 -10.474 -9.268 3.290 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.711 -9.343 3.754 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.622 -11.418 2.579 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.004 -11.781 3.145 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.665 -10.794 5.416 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.308 -10.666 4.821 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.700 -13.273 4.927 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.902 -12.801 6.112 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.530 -12.553 4.053 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.334 -13.483 3.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -12.002 -14.925 4.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.482 -15.226 4.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.640 -14.325 5.720 1.00 1.00 H new ATOM 57 N GLU A 4 -8.607 -9.581 0.594 1.00 1.00 N ATOM 58 CA GLU A 4 -8.092 -9.514 -0.768 1.00 1.00 C ATOM 59 C GLU A 4 -7.245 -8.253 -0.958 1.00 1.00 C ATOM 60 O GLU A 4 -6.166 -8.304 -1.553 1.00 1.00 O ATOM 61 CB GLU A 4 -9.262 -9.511 -1.767 1.00 1.00 C ATOM 62 CG GLU A 4 -10.408 -8.652 -1.222 1.00 1.00 C ATOM 63 CD GLU A 4 -11.469 -8.446 -2.294 1.00 1.00 C ATOM 64 OE1 GLU A 4 -11.105 -8.390 -3.457 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.630 -8.346 -1.936 1.00 1.00 O ATOM 0 H GLU A 4 -9.624 -9.607 0.666 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.464 -10.387 -0.948 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -8.929 -9.122 -2.729 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -9.609 -10.530 -1.938 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.851 -9.134 -0.350 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.023 -7.687 -0.891 1.00 1.00 H new ATOM 72 N THR A 5 -7.746 -7.128 -0.458 1.00 1.00 N ATOM 73 CA THR A 5 -7.040 -5.865 -0.586 1.00 1.00 C ATOM 74 C THR A 5 -5.749 -5.890 0.225 1.00 1.00 C ATOM 75 O THR A 5 -4.703 -5.441 -0.237 1.00 1.00 O ATOM 76 CB THR A 5 -7.928 -4.708 -0.114 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.237 -4.899 -0.630 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.372 -3.388 -0.659 1.00 1.00 C ATOM 0 H THR A 5 -8.636 -7.068 0.038 1.00 1.00 H new ATOM 0 HA THR A 5 -6.792 -5.716 -1.637 1.00 1.00 H new ATOM 0 HB THR A 5 -7.949 -4.678 0.975 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.685 -4.032 -0.715 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.001 -2.563 -0.325 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.356 -3.242 -0.291 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.363 -3.419 -1.749 1.00 1.00 H new ATOM 86 N ILE A 6 -5.840 -6.420 1.436 1.00 1.00 N ATOM 87 CA ILE A 6 -4.682 -6.492 2.315 1.00 1.00 C ATOM 88 C ILE A 6 -3.574 -7.311 1.664 1.00 1.00 C ATOM 89 O ILE A 6 -2.414 -6.904 1.666 1.00 1.00 O ATOM 90 CB ILE A 6 -5.084 -7.145 3.648 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.014 -6.206 4.424 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.833 -7.425 4.490 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.644 -6.960 5.602 1.00 1.00 C ATOM 0 H ILE A 6 -6.698 -6.804 1.831 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.317 -5.481 2.497 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.600 -8.083 3.441 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.455 -5.344 4.788 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.794 -5.824 3.765 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.125 -7.888 5.433 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.171 -8.098 3.945 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.313 -6.489 4.691 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.305 -6.290 6.152 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.218 -7.807 5.227 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.858 -7.320 6.266 1.00 1.00 H new ATOM 105 N ASP A 7 -3.933 -8.453 1.105 1.00 1.00 N ATOM 106 CA ASP A 7 -2.951 -9.309 0.459 1.00 1.00 C ATOM 107 C ASP A 7 -2.374 -8.602 -0.764 1.00 1.00 C ATOM 108 O ASP A 7 -1.188 -8.723 -1.064 1.00 1.00 O ATOM 109 CB ASP A 7 -3.616 -10.634 0.046 1.00 1.00 C ATOM 110 CG ASP A 7 -3.628 -11.628 1.212 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.050 -11.322 2.243 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.220 -12.684 1.053 1.00 1.00 O ATOM 0 H ASP A 7 -4.889 -8.808 1.084 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.140 -9.522 1.155 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.637 -10.445 -0.286 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.081 -11.066 -0.800 1.00 1.00 H new ATOM 117 N LYS A 8 -3.220 -7.863 -1.463 1.00 1.00 N ATOM 118 CA LYS A 8 -2.779 -7.144 -2.650 1.00 1.00 C ATOM 119 C LYS A 8 -1.788 -6.053 -2.286 1.00 1.00 C ATOM 120 O LYS A 8 -0.759 -5.894 -2.938 1.00 1.00 O ATOM 121 CB LYS A 8 -3.991 -6.517 -3.338 1.00 1.00 C ATOM 122 CG LYS A 8 -4.811 -7.593 -4.067 1.00 1.00 C ATOM 123 CD LYS A 8 -4.243 -7.829 -5.487 1.00 1.00 C ATOM 124 CE LYS A 8 -4.895 -6.858 -6.472 1.00 1.00 C ATOM 125 NZ LYS A 8 -6.290 -7.303 -6.740 1.00 1.00 N ATOM 0 H LYS A 8 -4.207 -7.745 -1.233 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.287 -7.849 -3.321 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.615 -6.013 -2.600 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.662 -5.759 -4.048 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.789 -8.523 -3.500 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -5.854 -7.284 -4.132 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.162 -7.688 -5.485 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.430 -8.857 -5.797 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.894 -5.848 -6.061 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.325 -6.825 -7.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.607 -6.921 -7.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -6.324 -8.342 -6.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -6.916 -6.957 -5.985 1.00 1.00 H new ATOM 139 N VAL A 9 -2.106 -5.300 -1.246 1.00 1.00 N ATOM 140 CA VAL A 9 -1.235 -4.216 -0.822 1.00 1.00 C ATOM 141 C VAL A 9 0.138 -4.755 -0.444 1.00 1.00 C ATOM 142 O VAL A 9 1.166 -4.222 -0.863 1.00 1.00 O ATOM 143 CB VAL A 9 -1.848 -3.494 0.384 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.850 -2.473 0.940 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.128 -2.774 -0.047 1.00 1.00 C ATOM 0 H VAL A 9 -2.950 -5.417 -0.686 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.127 -3.515 -1.650 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.084 -4.225 1.158 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.291 -1.963 1.797 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.060 -2.986 1.252 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.608 -1.743 0.168 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.563 -2.261 0.811 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.892 -2.047 -0.824 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.841 -3.501 -0.435 1.00 1.00 H new ATOM 155 N SER A 10 0.149 -5.815 0.344 1.00 1.00 N ATOM 156 CA SER A 10 1.399 -6.415 0.767 1.00 1.00 C ATOM 157 C SER A 10 2.155 -6.974 -0.429 1.00 1.00 C ATOM 158 O SER A 10 3.374 -6.920 -0.466 1.00 1.00 O ATOM 159 CB SER A 10 1.134 -7.541 1.762 1.00 1.00 C ATOM 160 OG SER A 10 0.611 -8.665 1.067 1.00 1.00 O ATOM 0 H SER A 10 -0.688 -6.275 0.701 1.00 1.00 H new ATOM 0 HA SER A 10 2.002 -5.642 1.243 1.00 1.00 H new ATOM 0 HB2 SER A 10 2.056 -7.813 2.276 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.429 -7.210 2.525 1.00 1.00 H new ATOM 0 HG SER A 10 -0.084 -8.369 0.443 1.00 1.00 H new ATOM 166 N ASP A 11 1.418 -7.514 -1.398 1.00 1.00 N ATOM 167 CA ASP A 11 2.025 -8.098 -2.585 1.00 1.00 C ATOM 168 C ASP A 11 2.822 -7.056 -3.345 1.00 1.00 C ATOM 169 O ASP A 11 3.880 -7.351 -3.892 1.00 1.00 O ATOM 170 CB ASP A 11 0.919 -8.681 -3.486 1.00 1.00 C ATOM 171 CG ASP A 11 0.552 -10.096 -3.045 1.00 1.00 C ATOM 172 OD1 ASP A 11 1.457 -10.847 -2.721 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.627 -10.403 -3.038 1.00 1.00 O ATOM 0 H ASP A 11 0.399 -7.558 -1.381 1.00 1.00 H new ATOM 0 HA ASP A 11 2.707 -8.893 -2.282 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.037 -8.042 -3.446 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.257 -8.694 -4.522 1.00 1.00 H new ATOM 178 N ILE A 12 2.324 -5.839 -3.374 1.00 1.00 N ATOM 179 CA ILE A 12 3.022 -4.781 -4.079 1.00 1.00 C ATOM 180 C ILE A 12 4.419 -4.597 -3.528 1.00 1.00 C ATOM 181 O ILE A 12 5.366 -4.514 -4.286 1.00 1.00 O ATOM 182 CB ILE A 12 2.228 -3.448 -3.961 1.00 1.00 C ATOM 183 CG1 ILE A 12 1.261 -3.278 -5.146 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.163 -2.224 -3.884 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.147 -4.315 -5.089 1.00 1.00 C ATOM 0 H ILE A 12 1.452 -5.558 -2.926 1.00 1.00 H new ATOM 0 HA ILE A 12 3.099 -5.063 -5.129 1.00 1.00 H new ATOM 0 HB ILE A 12 1.659 -3.503 -3.033 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.832 -2.276 -5.130 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.808 -3.376 -6.084 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.567 -1.315 -3.803 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.809 -2.314 -3.010 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.775 -2.177 -4.785 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.524 -4.175 -5.937 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.579 -5.315 -5.129 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.412 -4.198 -4.161 1.00 1.00 H new ATOM 197 N VAL A 13 4.532 -4.516 -2.218 1.00 1.00 N ATOM 198 CA VAL A 13 5.825 -4.296 -1.600 1.00 1.00 C ATOM 199 C VAL A 13 6.808 -5.398 -1.960 1.00 1.00 C ATOM 200 O VAL A 13 7.966 -5.132 -2.286 1.00 1.00 O ATOM 201 CB VAL A 13 5.661 -4.235 -0.082 1.00 1.00 C ATOM 202 CG1 VAL A 13 7.013 -3.946 0.570 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.666 -3.131 0.290 1.00 1.00 C ATOM 0 H VAL A 13 3.753 -4.598 -1.565 1.00 1.00 H new ATOM 0 HA VAL A 13 6.223 -3.352 -1.973 1.00 1.00 H new ATOM 0 HB VAL A 13 5.284 -5.193 0.275 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.893 -3.903 1.653 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.717 -4.738 0.314 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.394 -2.991 0.209 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.553 -3.093 1.373 1.00 1.00 H new ATOM 0 HG22 VAL A 13 5.036 -2.171 -0.071 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.700 -3.343 -0.168 1.00 1.00 H new ATOM 213 N LYS A 14 6.350 -6.634 -1.894 1.00 1.00 N ATOM 214 CA LYS A 14 7.200 -7.771 -2.210 1.00 1.00 C ATOM 215 C LYS A 14 7.692 -7.702 -3.651 1.00 1.00 C ATOM 216 O LYS A 14 8.826 -8.079 -3.947 1.00 1.00 O ATOM 217 CB LYS A 14 6.423 -9.066 -2.004 1.00 1.00 C ATOM 218 CG LYS A 14 5.811 -9.074 -0.600 1.00 1.00 C ATOM 219 CD LYS A 14 5.518 -10.517 -0.162 1.00 1.00 C ATOM 220 CE LYS A 14 6.803 -11.216 0.351 1.00 1.00 C ATOM 221 NZ LYS A 14 6.589 -11.654 1.750 1.00 1.00 N ATOM 0 H LYS A 14 5.397 -6.878 -1.625 1.00 1.00 H new ATOM 0 HA LYS A 14 8.064 -7.746 -1.546 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.638 -9.156 -2.755 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.084 -9.924 -2.130 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.495 -8.603 0.106 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.891 -8.489 -0.592 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.763 -10.516 0.624 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.105 -11.078 -1.000 1.00 1.00 H new ATOM 0 HE2 LYS A 14 7.043 -12.073 -0.279 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.651 -10.533 0.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.429 -11.423 2.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.759 -11.166 2.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.429 -12.681 1.771 1.00 1.00 H new ATOM 235 N GLU A 15 6.834 -7.231 -4.543 1.00 1.00 N ATOM 236 CA GLU A 15 7.194 -7.121 -5.952 1.00 1.00 C ATOM 237 C GLU A 15 8.317 -6.117 -6.168 1.00 1.00 C ATOM 238 O GLU A 15 9.148 -6.289 -7.057 1.00 1.00 O ATOM 239 CB GLU A 15 5.970 -6.707 -6.771 1.00 1.00 C ATOM 240 CG GLU A 15 4.971 -7.865 -6.838 1.00 1.00 C ATOM 241 CD GLU A 15 3.679 -7.403 -7.507 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.613 -6.245 -7.883 1.00 1.00 O ATOM 243 OE2 GLU A 15 2.776 -8.214 -7.633 1.00 1.00 O ATOM 0 H GLU A 15 5.888 -6.920 -4.320 1.00 1.00 H new ATOM 0 HA GLU A 15 7.547 -8.098 -6.282 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.498 -5.834 -6.320 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.275 -6.420 -7.777 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.402 -8.696 -7.396 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.759 -8.232 -5.834 1.00 1.00 H new ATOM 250 N LYS A 16 8.332 -5.076 -5.364 1.00 1.00 N ATOM 251 CA LYS A 16 9.354 -4.047 -5.488 1.00 1.00 C ATOM 252 C LYS A 16 10.739 -4.628 -5.262 1.00 1.00 C ATOM 253 O LYS A 16 11.704 -4.232 -5.915 1.00 1.00 O ATOM 254 CB LYS A 16 9.075 -2.929 -4.470 1.00 1.00 C ATOM 255 CG LYS A 16 7.662 -2.373 -4.679 1.00 1.00 C ATOM 256 CD LYS A 16 7.600 -1.466 -5.901 1.00 1.00 C ATOM 257 CE LYS A 16 6.177 -0.992 -6.122 1.00 1.00 C ATOM 258 NZ LYS A 16 6.160 -0.052 -7.278 1.00 1.00 N ATOM 0 H LYS A 16 7.654 -4.916 -4.619 1.00 1.00 H new ATOM 0 HA LYS A 16 9.322 -3.639 -6.498 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.177 -3.315 -3.456 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.809 -2.131 -4.583 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.959 -3.197 -4.799 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.353 -1.816 -3.794 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.260 -0.610 -5.763 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.954 -2.003 -6.781 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.522 -1.841 -6.316 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.800 -0.497 -5.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.775 0.865 -6.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.129 0.079 -7.633 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.564 -0.443 -8.035 1.00 1.00 H new ATOM 272 N LEU A 17 10.829 -5.564 -4.337 1.00 1.00 N ATOM 273 CA LEU A 17 12.100 -6.203 -4.003 1.00 1.00 C ATOM 274 C LEU A 17 12.200 -7.548 -4.709 1.00 1.00 C ATOM 275 O LEU A 17 13.216 -8.231 -4.610 1.00 1.00 O ATOM 276 CB LEU A 17 12.228 -6.401 -2.462 1.00 1.00 C ATOM 277 CG LEU A 17 10.926 -5.985 -1.749 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.870 -6.600 -0.359 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.876 -4.456 -1.657 1.00 1.00 C ATOM 0 H LEU A 17 10.034 -5.905 -3.796 1.00 1.00 H new ATOM 0 HA LEU A 17 12.913 -5.558 -4.336 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.451 -7.445 -2.242 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.061 -5.810 -2.082 1.00 1.00 H new ATOM 0 HG LEU A 17 10.067 -6.344 -2.316 1.00 1.00 H new ATOM 0 HD11 LEU A 17 9.946 -6.299 0.135 1.00 1.00 H new ATOM 0 HD12 LEU A 17 10.901 -7.687 -0.440 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.723 -6.256 0.226 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.958 -4.152 -1.154 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.736 -4.097 -1.091 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.898 -4.030 -2.660 1.00 1.00 H new ATOM 291 N ALA A 18 11.144 -7.911 -5.424 1.00 1.00 N ATOM 292 CA ALA A 18 11.125 -9.176 -6.148 1.00 1.00 C ATOM 293 C ALA A 18 10.908 -10.352 -5.203 1.00 1.00 C ATOM 294 O ALA A 18 11.643 -11.335 -5.246 1.00 1.00 O ATOM 295 CB ALA A 18 12.449 -9.355 -6.906 1.00 1.00 C ATOM 0 H ALA A 18 10.295 -7.353 -5.519 1.00 1.00 H new ATOM 0 HA ALA A 18 10.295 -9.153 -6.854 1.00 1.00 H new ATOM 0 HB1 ALA A 18 12.434 -10.301 -7.447 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.577 -8.535 -7.613 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.277 -9.356 -6.197 1.00 1.00 H new ATOM 301 N LEU A 19 9.892 -10.248 -4.353 1.00 1.00 N ATOM 302 CA LEU A 19 9.575 -11.311 -3.394 1.00 1.00 C ATOM 303 C LEU A 19 8.192 -11.881 -3.680 1.00 1.00 C ATOM 304 O LEU A 19 7.630 -11.676 -4.753 1.00 1.00 O ATOM 305 CB LEU A 19 9.637 -10.724 -1.976 1.00 1.00 C ATOM 306 CG LEU A 19 11.043 -10.881 -1.388 1.00 1.00 C ATOM 307 CD1 LEU A 19 12.074 -10.259 -2.354 1.00 1.00 C ATOM 308 CD2 LEU A 19 11.110 -10.212 0.015 1.00 1.00 C ATOM 0 H LEU A 19 9.271 -9.440 -4.305 1.00 1.00 H new ATOM 0 HA LEU A 19 10.297 -12.123 -3.484 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.363 -9.669 -2.001 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.911 -11.227 -1.337 1.00 1.00 H new ATOM 0 HG LEU A 19 11.277 -11.939 -1.266 1.00 1.00 H new ATOM 0 HD11 LEU A 19 13.075 -10.369 -1.938 1.00 1.00 H new ATOM 0 HD12 LEU A 19 12.023 -10.767 -3.317 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.852 -9.200 -2.490 1.00 1.00 H new ATOM 0 HD21 LEU A 19 12.113 -10.328 0.426 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.876 -9.151 -0.076 1.00 1.00 H new ATOM 0 HD23 LEU A 19 10.388 -10.687 0.679 1.00 1.00 H new ATOM 320 N GLY A 20 7.658 -12.616 -2.707 1.00 1.00 N ATOM 321 CA GLY A 20 6.350 -13.238 -2.841 1.00 1.00 C ATOM 322 C GLY A 20 6.485 -14.707 -3.211 1.00 1.00 C ATOM 323 O GLY A 20 5.503 -15.354 -3.573 1.00 1.00 O ATOM 0 H GLY A 20 8.117 -12.794 -1.814 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.800 -13.143 -1.905 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.772 -12.718 -3.605 1.00 1.00 H new ATOM 327 N ALA A 21 7.705 -15.231 -3.114 1.00 1.00 N ATOM 328 CA ALA A 21 7.946 -16.633 -3.439 1.00 1.00 C ATOM 329 C ALA A 21 7.652 -17.511 -2.229 1.00 1.00 C ATOM 330 O ALA A 21 6.573 -18.093 -2.122 1.00 1.00 O ATOM 331 CB ALA A 21 9.400 -16.826 -3.873 1.00 1.00 C ATOM 0 H ALA A 21 8.532 -14.713 -2.817 1.00 1.00 H new ATOM 0 HA ALA A 21 7.285 -16.921 -4.257 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.572 -17.875 -4.114 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.602 -16.214 -4.752 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.064 -16.526 -3.063 1.00 1.00 H new ATOM 337 N ASP A 22 8.620 -17.603 -1.315 1.00 1.00 N ATOM 338 CA ASP A 22 8.467 -18.410 -0.098 1.00 1.00 C ATOM 339 C ASP A 22 8.565 -17.537 1.144 1.00 1.00 C ATOM 340 O ASP A 22 8.723 -18.038 2.257 1.00 1.00 O ATOM 341 CB ASP A 22 9.549 -19.491 -0.055 1.00 1.00 C ATOM 342 CG ASP A 22 9.239 -20.582 -1.079 1.00 1.00 C ATOM 343 OD1 ASP A 22 8.109 -20.635 -1.539 1.00 1.00 O ATOM 344 OD2 ASP A 22 10.136 -21.349 -1.385 1.00 1.00 O ATOM 0 H ASP A 22 9.520 -17.129 -1.393 1.00 1.00 H new ATOM 0 HA ASP A 22 7.483 -18.879 -0.116 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.524 -19.050 -0.265 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.603 -19.923 0.944 1.00 1.00 H new ATOM 349 N VAL A 23 8.474 -16.224 0.952 1.00 1.00 N ATOM 350 CA VAL A 23 8.558 -15.288 2.070 1.00 1.00 C ATOM 351 C VAL A 23 7.184 -15.067 2.697 1.00 1.00 C ATOM 352 O VAL A 23 6.198 -14.833 1.997 1.00 1.00 O ATOM 353 CB VAL A 23 9.120 -13.952 1.590 1.00 1.00 C ATOM 354 CG1 VAL A 23 9.477 -13.083 2.796 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.368 -14.196 0.740 1.00 1.00 C ATOM 0 H VAL A 23 8.343 -15.786 0.040 1.00 1.00 H new ATOM 0 HA VAL A 23 9.221 -15.714 2.823 1.00 1.00 H new ATOM 0 HB VAL A 23 8.370 -13.439 0.988 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.878 -12.130 2.452 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.583 -12.906 3.394 1.00 1.00 H new ATOM 0 HG13 VAL A 23 10.225 -13.593 3.403 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.768 -13.241 0.398 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.120 -14.711 1.337 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.107 -14.809 -0.122 1.00 1.00 H new ATOM 365 N VAL A 24 7.131 -15.138 4.022 1.00 1.00 N ATOM 366 CA VAL A 24 5.878 -14.940 4.739 1.00 1.00 C ATOM 367 C VAL A 24 5.431 -13.492 4.619 1.00 1.00 C ATOM 368 O VAL A 24 6.243 -12.574 4.742 1.00 1.00 O ATOM 369 CB VAL A 24 6.050 -15.298 6.216 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.756 -14.988 6.977 1.00 1.00 C ATOM 371 CG2 VAL A 24 6.370 -16.788 6.341 1.00 1.00 C ATOM 0 H VAL A 24 7.936 -15.330 4.618 1.00 1.00 H new ATOM 0 HA VAL A 24 5.122 -15.590 4.299 1.00 1.00 H new ATOM 0 HB VAL A 24 6.865 -14.711 6.639 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.882 -15.244 8.029 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.527 -13.926 6.887 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.938 -15.573 6.557 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.493 -17.047 7.393 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.553 -17.372 5.917 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.292 -17.009 5.803 1.00 1.00 H new ATOM 381 N VAL A 25 4.138 -13.289 4.377 1.00 1.00 N ATOM 382 CA VAL A 25 3.581 -11.941 4.237 1.00 1.00 C ATOM 383 C VAL A 25 2.512 -11.688 5.292 1.00 1.00 C ATOM 384 O VAL A 25 1.605 -12.501 5.479 1.00 1.00 O ATOM 385 CB VAL A 25 2.965 -11.776 2.848 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.795 -12.752 2.679 1.00 1.00 C ATOM 387 CG2 VAL A 25 2.463 -10.340 2.680 1.00 1.00 C ATOM 0 H VAL A 25 3.455 -14.039 4.273 1.00 1.00 H new ATOM 0 HA VAL A 25 4.389 -11.221 4.371 1.00 1.00 H new ATOM 0 HB VAL A 25 3.721 -11.989 2.092 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.360 -12.630 1.687 1.00 1.00 H new ATOM 0 HG12 VAL A 25 2.155 -13.775 2.794 1.00 1.00 H new ATOM 0 HG13 VAL A 25 1.038 -12.546 3.435 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.024 -10.222 1.690 1.00 1.00 H new ATOM 0 HG22 VAL A 25 1.710 -10.127 3.439 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.297 -9.647 2.792 1.00 1.00 H new ATOM 397 N THR A 26 2.623 -10.554 5.985 1.00 1.00 N ATOM 398 CA THR A 26 1.663 -10.192 7.029 1.00 1.00 C ATOM 399 C THR A 26 1.235 -8.739 6.868 1.00 1.00 C ATOM 400 O THR A 26 1.979 -7.913 6.340 1.00 1.00 O ATOM 401 CB THR A 26 2.296 -10.406 8.419 1.00 1.00 C ATOM 402 OG1 THR A 26 3.682 -10.108 8.357 1.00 1.00 O ATOM 403 CG2 THR A 26 2.111 -11.855 8.863 1.00 1.00 C ATOM 0 H THR A 26 3.367 -9.871 5.843 1.00 1.00 H new ATOM 0 HA THR A 26 0.783 -10.828 6.937 1.00 1.00 H new ATOM 0 HB THR A 26 1.807 -9.747 9.137 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.085 -10.242 9.240 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.562 -11.995 9.846 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.047 -12.086 8.915 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.592 -12.520 8.145 1.00 1.00 H new ATOM 411 N ALA A 27 0.024 -8.444 7.318 1.00 1.00 N ATOM 412 CA ALA A 27 -0.506 -7.096 7.220 1.00 1.00 C ATOM 413 C ALA A 27 0.155 -6.181 8.250 1.00 1.00 C ATOM 414 O ALA A 27 0.660 -5.110 7.929 1.00 1.00 O ATOM 415 CB ALA A 27 -2.024 -7.119 7.447 1.00 1.00 C ATOM 0 H ALA A 27 -0.606 -9.118 7.752 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.292 -6.710 6.223 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.418 -6.106 7.373 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.495 -7.748 6.692 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.238 -7.520 8.438 1.00 1.00 H new ATOM 421 N ASP A 28 0.143 -6.616 9.498 1.00 1.00 N ATOM 422 CA ASP A 28 0.731 -5.820 10.565 1.00 1.00 C ATOM 423 C ASP A 28 2.248 -5.837 10.473 1.00 1.00 C ATOM 424 O ASP A 28 2.944 -5.526 11.440 1.00 1.00 O ATOM 425 CB ASP A 28 0.286 -6.356 11.928 1.00 1.00 C ATOM 426 CG ASP A 28 0.716 -5.398 13.036 1.00 1.00 C ATOM 427 OD1 ASP A 28 0.231 -4.279 13.045 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.518 -5.801 13.860 1.00 1.00 O ATOM 0 H ASP A 28 -0.261 -7.504 9.797 1.00 1.00 H new ATOM 0 HA ASP A 28 0.387 -4.791 10.455 1.00 1.00 H new ATOM 0 HB2 ASP A 28 -0.797 -6.479 11.943 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.721 -7.341 12.099 1.00 1.00 H new ATOM 433 N SER A 29 2.758 -6.219 9.306 1.00 1.00 N ATOM 434 CA SER A 29 4.193 -6.286 9.106 1.00 1.00 C ATOM 435 C SER A 29 4.815 -4.895 9.099 1.00 1.00 C ATOM 436 O SER A 29 6.036 -4.757 9.040 1.00 1.00 O ATOM 437 CB SER A 29 4.507 -6.997 7.790 1.00 1.00 C ATOM 438 OG SER A 29 5.885 -7.347 7.757 1.00 1.00 O ATOM 0 H SER A 29 2.201 -6.484 8.494 1.00 1.00 H new ATOM 0 HA SER A 29 4.621 -6.849 9.935 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.891 -7.891 7.692 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.265 -6.349 6.948 1.00 1.00 H new ATOM 0 HG SER A 29 6.413 -6.635 8.175 1.00 1.00 H new ATOM 444 N GLU A 30 3.970 -3.873 9.151 1.00 1.00 N ATOM 445 CA GLU A 30 4.448 -2.499 9.149 1.00 1.00 C ATOM 446 C GLU A 30 5.301 -2.243 7.914 1.00 1.00 C ATOM 447 O GLU A 30 6.416 -1.732 8.018 1.00 1.00 O ATOM 448 CB GLU A 30 5.271 -2.226 10.410 1.00 1.00 C ATOM 449 CG GLU A 30 4.385 -2.410 11.643 1.00 1.00 C ATOM 450 CD GLU A 30 5.209 -2.191 12.908 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.390 -1.910 12.779 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.648 -2.311 13.984 1.00 1.00 O ATOM 0 H GLU A 30 2.956 -3.970 9.195 1.00 1.00 H new ATOM 0 HA GLU A 30 3.587 -1.830 9.133 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.123 -2.904 10.456 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.672 -1.213 10.384 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.553 -1.706 11.613 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.955 -3.411 11.647 1.00 1.00 H new ATOM 600 N THR A 41 7.834 6.344 -1.397 1.00 1.00 N ATOM 601 CA THR A 41 6.382 6.354 -1.254 1.00 1.00 C ATOM 602 C THR A 41 5.706 6.537 -2.608 1.00 1.00 C ATOM 603 O THR A 41 4.703 5.889 -2.903 1.00 1.00 O ATOM 604 CB THR A 41 5.947 7.474 -0.308 1.00 1.00 C ATOM 605 OG1 THR A 41 6.728 7.414 0.876 1.00 1.00 O ATOM 606 CG2 THR A 41 4.469 7.303 0.046 1.00 1.00 C ATOM 0 HA THR A 41 6.079 5.394 -0.837 1.00 1.00 H new ATOM 0 HB THR A 41 6.090 8.439 -0.794 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.618 7.063 0.663 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.162 8.102 0.720 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.870 7.345 -0.864 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.321 6.340 0.534 1.00 1.00 H new ATOM 614 N VAL A 42 6.262 7.426 -3.422 1.00 1.00 N ATOM 615 CA VAL A 42 5.705 7.694 -4.743 1.00 1.00 C ATOM 616 C VAL A 42 5.672 6.422 -5.592 1.00 1.00 C ATOM 617 O VAL A 42 4.716 6.158 -6.319 1.00 1.00 O ATOM 618 CB VAL A 42 6.541 8.761 -5.453 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.155 10.154 -4.942 1.00 1.00 C ATOM 620 CG2 VAL A 42 8.022 8.519 -5.176 1.00 1.00 C ATOM 0 H VAL A 42 7.093 7.971 -3.193 1.00 1.00 H new ATOM 0 HA VAL A 42 4.684 8.052 -4.615 1.00 1.00 H new ATOM 0 HB VAL A 42 6.352 8.703 -6.525 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.755 10.908 -5.452 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.099 10.335 -5.141 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.337 10.211 -3.869 1.00 1.00 H new ATOM 0 HG21 VAL A 42 8.616 9.280 -5.682 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.205 8.571 -4.103 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.305 7.533 -5.545 1.00 1.00 H new ATOM 630 N GLU A 43 6.728 5.649 -5.510 1.00 1.00 N ATOM 631 CA GLU A 43 6.807 4.410 -6.271 1.00 1.00 C ATOM 632 C GLU A 43 5.809 3.382 -5.746 1.00 1.00 C ATOM 633 O GLU A 43 5.143 2.693 -6.520 1.00 1.00 O ATOM 634 CB GLU A 43 8.219 3.829 -6.184 1.00 1.00 C ATOM 635 CG GLU A 43 9.185 4.724 -6.957 1.00 1.00 C ATOM 636 CD GLU A 43 10.615 4.216 -6.791 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.801 3.257 -6.059 1.00 1.00 O ATOM 638 OE2 GLU A 43 11.501 4.799 -7.392 1.00 1.00 O ATOM 0 H GLU A 43 7.543 5.848 -4.930 1.00 1.00 H new ATOM 0 HA GLU A 43 6.565 4.638 -7.309 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.530 3.755 -5.142 1.00 1.00 H new ATOM 0 HB3 GLU A 43 8.234 2.819 -6.594 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.915 4.737 -8.013 1.00 1.00 H new ATOM 0 HG3 GLU A 43 9.111 5.750 -6.596 1.00 1.00 H new ATOM 645 N ILE A 44 5.720 3.271 -4.426 1.00 1.00 N ATOM 646 CA ILE A 44 4.803 2.312 -3.811 1.00 1.00 C ATOM 647 C ILE A 44 3.345 2.698 -4.007 1.00 1.00 C ATOM 648 O ILE A 44 2.522 1.868 -4.395 1.00 1.00 O ATOM 649 CB ILE A 44 5.096 2.194 -2.312 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.561 1.764 -2.084 1.00 1.00 C ATOM 651 CG2 ILE A 44 4.150 1.166 -1.683 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.712 0.241 -2.180 1.00 1.00 C ATOM 0 H ILE A 44 6.264 3.825 -3.765 1.00 1.00 H new ATOM 0 HA ILE A 44 4.965 1.354 -4.305 1.00 1.00 H new ATOM 0 HB ILE A 44 4.940 3.166 -1.844 1.00 1.00 H new ATOM 0 HG12 ILE A 44 7.203 2.243 -2.823 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.895 2.104 -1.104 1.00 1.00 H new ATOM 0 HG21 ILE A 44 4.360 1.083 -0.617 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.118 1.486 -1.826 1.00 1.00 H new ATOM 0 HG23 ILE A 44 4.298 0.196 -2.158 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.754 -0.032 -2.015 1.00 1.00 H new ATOM 0 HD12 ILE A 44 6.088 -0.235 -1.424 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.401 -0.094 -3.170 1.00 1.00 H new ATOM 664 N VAL A 45 3.028 3.951 -3.732 1.00 1.00 N ATOM 665 CA VAL A 45 1.661 4.422 -3.873 1.00 1.00 C ATOM 666 C VAL A 45 1.204 4.309 -5.322 1.00 1.00 C ATOM 667 O VAL A 45 0.030 4.060 -5.594 1.00 1.00 O ATOM 668 CB VAL A 45 1.567 5.878 -3.407 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.296 6.785 -4.392 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.105 6.292 -3.320 1.00 1.00 C ATOM 0 H VAL A 45 3.692 4.656 -3.412 1.00 1.00 H new ATOM 0 HA VAL A 45 1.010 3.802 -3.256 1.00 1.00 H new ATOM 0 HB VAL A 45 2.030 5.970 -2.425 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.226 7.819 -4.055 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.344 6.492 -4.449 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.840 6.693 -5.378 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.039 7.328 -2.988 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.360 6.195 -4.301 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.413 5.650 -2.608 1.00 1.00 H new ATOM 680 N MET A 46 2.134 4.488 -6.249 1.00 1.00 N ATOM 681 CA MET A 46 1.810 4.396 -7.662 1.00 1.00 C ATOM 682 C MET A 46 1.392 2.978 -8.026 1.00 1.00 C ATOM 683 O MET A 46 0.455 2.779 -8.796 1.00 1.00 O ATOM 684 CB MET A 46 3.024 4.834 -8.506 1.00 1.00 C ATOM 685 CG MET A 46 3.070 6.383 -8.672 1.00 1.00 C ATOM 686 SD MET A 46 2.592 6.825 -10.366 1.00 1.00 S ATOM 687 CE MET A 46 0.890 6.208 -10.308 1.00 1.00 C ATOM 0 H MET A 46 3.112 4.696 -6.049 1.00 1.00 H new ATOM 0 HA MET A 46 0.973 5.061 -7.874 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.943 4.490 -8.031 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.976 4.362 -9.487 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.396 6.856 -7.958 1.00 1.00 H new ATOM 0 HG3 MET A 46 4.073 6.753 -8.458 1.00 1.00 H new ATOM 0 HE1 MET A 46 0.347 6.554 -11.188 1.00 1.00 H new ATOM 0 HE2 MET A 46 0.898 5.118 -10.292 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.398 6.580 -9.409 1.00 1.00 H new ATOM 697 N ASN A 47 2.087 2.003 -7.473 1.00 1.00 N ATOM 698 CA ASN A 47 1.768 0.620 -7.766 1.00 1.00 C ATOM 699 C ASN A 47 0.359 0.292 -7.280 1.00 1.00 C ATOM 700 O ASN A 47 -0.415 -0.353 -7.985 1.00 1.00 O ATOM 701 CB ASN A 47 2.792 -0.303 -7.092 1.00 1.00 C ATOM 702 CG ASN A 47 2.809 -1.671 -7.767 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.608 -2.531 -7.411 1.00 1.00 O ATOM 704 ND2 ASN A 47 1.961 -1.924 -8.719 1.00 1.00 N ATOM 0 H ASN A 47 2.865 2.139 -6.828 1.00 1.00 H new ATOM 0 HA ASN A 47 1.808 0.465 -8.844 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.784 0.146 -7.144 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.548 -0.416 -6.036 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.959 -2.838 -9.171 1.00 1.00 H new ATOM 0 HD22 ASN A 47 1.297 -1.208 -9.014 1.00 1.00 H new ATOM 711 N LEU A 48 0.035 0.738 -6.073 1.00 1.00 N ATOM 712 CA LEU A 48 -1.283 0.476 -5.506 1.00 1.00 C ATOM 713 C LEU A 48 -2.349 1.229 -6.287 1.00 1.00 C ATOM 714 O LEU A 48 -3.381 0.669 -6.649 1.00 1.00 O ATOM 715 CB LEU A 48 -1.296 0.923 -4.038 1.00 1.00 C ATOM 716 CG LEU A 48 -0.199 0.169 -3.257 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.106 0.921 -1.961 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.670 -1.241 -2.895 1.00 1.00 C ATOM 0 H LEU A 48 0.659 1.277 -5.473 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.498 -0.591 -5.566 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.129 1.998 -3.973 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.272 0.725 -3.596 1.00 1.00 H new ATOM 0 HG LEU A 48 0.690 0.105 -3.884 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.881 0.391 -1.407 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.453 1.927 -2.197 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.797 0.981 -1.354 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.117 -1.757 -2.345 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.565 -1.178 -2.276 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.898 -1.794 -3.806 1.00 1.00 H new ATOM 730 N GLU A 49 -2.087 2.500 -6.555 1.00 1.00 N ATOM 731 CA GLU A 49 -3.035 3.317 -7.294 1.00 1.00 C ATOM 732 C GLU A 49 -3.204 2.762 -8.702 1.00 1.00 C ATOM 733 O GLU A 49 -4.295 2.806 -9.270 1.00 1.00 O ATOM 734 CB GLU A 49 -2.549 4.765 -7.354 1.00 1.00 C ATOM 735 CG GLU A 49 -3.653 5.655 -7.937 1.00 1.00 C ATOM 736 CD GLU A 49 -3.170 7.096 -8.012 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.173 7.400 -7.375 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.800 7.877 -8.704 1.00 1.00 O ATOM 0 H GLU A 49 -1.234 2.983 -6.274 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.998 3.294 -6.784 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.279 5.110 -6.356 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.651 4.833 -7.968 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -3.930 5.303 -8.931 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.547 5.594 -7.317 1.00 1.00 H new ATOM 745 N GLU A 50 -2.115 2.233 -9.255 1.00 1.00 N ATOM 746 CA GLU A 50 -2.152 1.667 -10.597 1.00 1.00 C ATOM 747 C GLU A 50 -2.903 0.337 -10.589 1.00 1.00 C ATOM 748 O GLU A 50 -3.765 0.097 -11.435 1.00 1.00 O ATOM 749 CB GLU A 50 -0.730 1.445 -11.117 1.00 1.00 C ATOM 750 CG GLU A 50 -0.782 1.026 -12.585 1.00 1.00 C ATOM 751 CD GLU A 50 0.633 0.826 -13.120 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.553 0.820 -12.319 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.776 0.690 -14.324 1.00 1.00 O ATOM 0 H GLU A 50 -1.205 2.185 -8.798 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.669 2.368 -11.252 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.146 2.359 -11.009 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.232 0.676 -10.526 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.353 0.103 -12.689 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.297 1.787 -13.171 1.00 1.00 H new ATOM 760 N GLU A 51 -2.567 -0.527 -9.626 1.00 1.00 N ATOM 761 CA GLU A 51 -3.223 -1.830 -9.532 1.00 1.00 C ATOM 762 C GLU A 51 -4.720 -1.660 -9.279 1.00 1.00 C ATOM 763 O GLU A 51 -5.551 -2.117 -10.064 1.00 1.00 O ATOM 764 CB GLU A 51 -2.603 -2.636 -8.389 1.00 1.00 C ATOM 765 CG GLU A 51 -3.166 -4.062 -8.396 1.00 1.00 C ATOM 766 CD GLU A 51 -2.614 -4.844 -7.213 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.685 -4.336 -6.106 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.126 -5.942 -7.430 1.00 1.00 O ATOM 0 H GLU A 51 -1.858 -0.351 -8.914 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.083 -2.359 -10.475 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.519 -2.663 -8.497 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.817 -2.155 -7.434 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.255 -4.033 -8.347 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.902 -4.562 -9.328 1.00 1.00 H new ATOM 775 N PHE A 52 -5.054 -0.993 -8.179 1.00 1.00 N ATOM 776 CA PHE A 52 -6.451 -0.760 -7.826 1.00 1.00 C ATOM 777 C PHE A 52 -7.096 0.190 -8.829 1.00 1.00 C ATOM 778 O PHE A 52 -8.299 0.116 -9.083 1.00 1.00 O ATOM 779 CB PHE A 52 -6.550 -0.179 -6.415 1.00 1.00 C ATOM 780 CG PHE A 52 -6.079 -1.202 -5.407 1.00 1.00 C ATOM 781 CD1 PHE A 52 -6.758 -2.425 -5.265 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.955 -0.935 -4.612 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.306 -3.368 -4.337 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.511 -1.879 -3.689 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.185 -3.089 -3.550 1.00 1.00 C ATOM 0 H PHE A 52 -4.380 -0.605 -7.519 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.981 -1.712 -7.852 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.945 0.724 -6.340 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.579 0.109 -6.201 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.627 -2.635 -5.871 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.433 0.005 -4.716 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.822 -4.310 -4.228 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.643 -1.672 -3.081 1.00 1.00 H new ATOM 0 HZ PHE A 52 -4.840 -3.816 -2.830 1.00 1.00 H new ATOM 795 N GLY A 53 -6.289 1.082 -9.394 1.00 1.00 N ATOM 796 CA GLY A 53 -6.792 2.043 -10.370 1.00 1.00 C ATOM 797 C GLY A 53 -7.566 3.155 -9.677 1.00 1.00 C ATOM 798 O GLY A 53 -8.445 3.779 -10.273 1.00 1.00 O ATOM 0 H GLY A 53 -5.292 1.160 -9.195 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.960 2.467 -10.932 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.437 1.537 -11.088 1.00 1.00 H new ATOM 802 N ILE A 54 -7.235 3.402 -8.412 1.00 1.00 N ATOM 803 CA ILE A 54 -7.906 4.444 -7.642 1.00 1.00 C ATOM 804 C ILE A 54 -7.182 5.776 -7.792 1.00 1.00 C ATOM 805 O ILE A 54 -6.375 5.953 -8.706 1.00 1.00 O ATOM 806 CB ILE A 54 -7.961 4.044 -6.171 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.542 3.788 -5.654 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.824 2.783 -6.009 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.531 3.528 -4.147 1.00 1.00 C ATOM 0 H ILE A 54 -6.510 2.898 -7.901 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.921 4.559 -8.024 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.407 4.852 -5.591 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.113 2.932 -6.175 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.911 4.647 -5.880 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.861 2.500 -4.957 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.834 2.985 -6.366 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.390 1.968 -6.589 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.508 3.351 -3.816 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -6.936 4.395 -3.625 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.141 2.653 -3.924 1.00 1.00 H new ATOM 821 N ASN A 55 -7.480 6.717 -6.899 1.00 1.00 N ATOM 822 CA ASN A 55 -6.858 8.037 -6.938 1.00 1.00 C ATOM 823 C ASN A 55 -6.487 8.486 -5.530 1.00 1.00 C ATOM 824 O ASN A 55 -7.221 9.237 -4.889 1.00 1.00 O ATOM 825 CB ASN A 55 -7.822 9.044 -7.563 1.00 1.00 C ATOM 826 CG ASN A 55 -9.077 9.177 -6.705 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.606 8.112 -6.168 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -9.583 10.282 -6.513 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.149 6.589 -6.139 1.00 1.00 H new ATOM 0 HA ASN A 55 -5.952 7.982 -7.541 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.334 10.014 -7.659 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.093 8.723 -8.569 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.168 11.113 -6.934 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -10.418 10.367 -5.933 1.00 1.00 H new ATOM 835 N VAL A 56 -5.335 8.024 -5.054 1.00 1.00 N ATOM 836 CA VAL A 56 -4.866 8.385 -3.716 1.00 1.00 C ATOM 837 C VAL A 56 -3.904 9.564 -3.799 1.00 1.00 C ATOM 838 O VAL A 56 -2.963 9.557 -4.594 1.00 1.00 O ATOM 839 CB VAL A 56 -4.159 7.192 -3.067 1.00 1.00 C ATOM 840 CG1 VAL A 56 -2.940 6.805 -3.902 1.00 1.00 C ATOM 841 CG2 VAL A 56 -3.714 7.578 -1.655 1.00 1.00 C ATOM 0 H VAL A 56 -4.711 7.403 -5.569 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.726 8.666 -3.109 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.842 6.344 -3.015 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.437 5.956 -3.440 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.259 6.534 -4.908 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.252 7.649 -3.955 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.210 6.732 -1.188 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.029 8.424 -1.708 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.586 7.853 -1.061 1.00 1.00 H new ATOM 851 N ASP A 57 -4.148 10.580 -2.978 1.00 1.00 N ATOM 852 CA ASP A 57 -3.300 11.768 -2.966 1.00 1.00 C ATOM 853 C ASP A 57 -2.109 11.570 -2.031 1.00 1.00 C ATOM 854 O ASP A 57 -2.060 10.604 -1.268 1.00 1.00 O ATOM 855 CB ASP A 57 -4.116 12.977 -2.511 1.00 1.00 C ATOM 856 CG ASP A 57 -4.575 12.805 -1.069 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.062 11.923 -0.408 1.00 1.00 O ATOM 858 OD2 ASP A 57 -5.436 13.560 -0.649 1.00 1.00 O ATOM 0 H ASP A 57 -4.922 10.606 -2.315 1.00 1.00 H new ATOM 0 HA ASP A 57 -2.925 11.938 -3.975 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -3.515 13.882 -2.601 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.982 13.103 -3.161 1.00 1.00 H new ATOM 863 N GLU A 58 -1.155 12.491 -2.091 1.00 1.00 N ATOM 864 CA GLU A 58 0.026 12.412 -1.240 1.00 1.00 C ATOM 865 C GLU A 58 -0.344 12.678 0.218 1.00 1.00 C ATOM 866 O GLU A 58 0.245 12.105 1.133 1.00 1.00 O ATOM 867 CB GLU A 58 1.067 13.431 -1.699 1.00 1.00 C ATOM 868 CG GLU A 58 1.591 13.034 -3.081 1.00 1.00 C ATOM 869 CD GLU A 58 2.573 14.082 -3.586 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.843 15.017 -2.849 1.00 1.00 O ATOM 871 OE2 GLU A 58 3.044 13.935 -4.702 1.00 1.00 O ATOM 0 H GLU A 58 -1.175 13.297 -2.716 1.00 1.00 H new ATOM 0 HA GLU A 58 0.442 11.408 -1.319 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.625 14.427 -1.738 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.889 13.475 -0.985 1.00 1.00 H new ATOM 0 HG2 GLU A 58 2.080 12.061 -3.028 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.760 12.936 -3.780 1.00 1.00 H new ATOM 878 N ASP A 59 -1.325 13.554 0.423 1.00 1.00 N ATOM 879 CA ASP A 59 -1.767 13.895 1.771 1.00 1.00 C ATOM 880 C ASP A 59 -2.326 12.669 2.474 1.00 1.00 C ATOM 881 O ASP A 59 -2.254 12.553 3.697 1.00 1.00 O ATOM 882 CB ASP A 59 -2.834 14.987 1.716 1.00 1.00 C ATOM 883 CG ASP A 59 -3.134 15.498 3.122 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.743 14.833 4.069 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.750 16.544 3.231 1.00 1.00 O ATOM 0 H ASP A 59 -1.826 14.037 -0.323 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.907 14.262 2.331 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -2.492 15.809 1.087 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.744 14.595 1.261 1.00 1.00 H new ATOM 890 N LYS A 60 -2.894 11.754 1.696 1.00 1.00 N ATOM 891 CA LYS A 60 -3.466 10.533 2.257 1.00 1.00 C ATOM 892 C LYS A 60 -2.443 9.399 2.216 1.00 1.00 C ATOM 893 O LYS A 60 -2.637 8.348 2.816 1.00 1.00 O ATOM 894 CB LYS A 60 -4.713 10.127 1.463 1.00 1.00 C ATOM 895 CG LYS A 60 -5.548 9.107 2.272 1.00 1.00 C ATOM 896 CD LYS A 60 -6.547 9.850 3.156 1.00 1.00 C ATOM 897 CE LYS A 60 -7.327 8.845 3.993 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.281 9.575 4.872 1.00 1.00 N ATOM 0 H LYS A 60 -2.971 11.832 0.682 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.743 10.724 3.294 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.316 11.008 1.241 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.420 9.693 0.507 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.076 8.435 1.595 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.892 8.490 2.886 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.023 10.552 3.805 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.230 10.435 2.540 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.867 8.155 3.345 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.643 8.247 4.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.816 8.892 5.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.754 10.216 5.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.940 10.127 4.286 1.00 1.00 H new ATOM 912 N ALA A 61 -1.344 9.617 1.501 1.00 1.00 N ATOM 913 CA ALA A 61 -0.292 8.599 1.385 1.00 1.00 C ATOM 914 C ALA A 61 1.041 9.152 1.857 1.00 1.00 C ATOM 915 O ALA A 61 2.064 8.962 1.201 1.00 1.00 O ATOM 916 CB ALA A 61 -0.170 8.147 -0.067 1.00 1.00 C ATOM 0 H ALA A 61 -1.154 10.482 0.994 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.562 7.749 2.012 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.612 7.392 -0.148 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.119 7.724 -0.397 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.084 9.002 -0.694 1.00 1.00 H new ATOM 922 N GLN A 62 1.028 9.834 3.003 1.00 1.00 N ATOM 923 CA GLN A 62 2.249 10.415 3.569 1.00 1.00 C ATOM 924 C GLN A 62 2.558 9.803 4.932 1.00 1.00 C ATOM 925 O GLN A 62 3.710 9.513 5.245 1.00 1.00 O ATOM 926 CB GLN A 62 2.088 11.931 3.713 1.00 1.00 C ATOM 927 CG GLN A 62 0.710 12.252 4.293 1.00 1.00 C ATOM 928 CD GLN A 62 0.559 13.757 4.467 1.00 1.00 C ATOM 929 OE1 GLN A 62 1.027 14.531 3.630 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.070 14.222 5.512 1.00 1.00 N ATOM 0 H GLN A 62 0.188 9.998 3.558 1.00 1.00 H new ATOM 0 HA GLN A 62 3.076 10.199 2.893 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.868 12.329 4.362 1.00 1.00 H new ATOM 0 HB3 GLN A 62 2.205 12.412 2.742 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.070 11.874 3.632 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.584 11.752 5.253 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.456 13.579 6.203 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.175 15.229 5.638 1.00 1.00 H new ATOM 939 N ASP A 63 1.516 9.615 5.740 1.00 1.00 N ATOM 940 CA ASP A 63 1.677 9.041 7.081 1.00 1.00 C ATOM 941 C ASP A 63 0.684 7.910 7.311 1.00 1.00 C ATOM 942 O ASP A 63 -0.100 7.941 8.260 1.00 1.00 O ATOM 943 CB ASP A 63 1.460 10.127 8.136 1.00 1.00 C ATOM 944 CG ASP A 63 1.742 9.561 9.522 1.00 1.00 C ATOM 945 OD1 ASP A 63 1.997 8.372 9.614 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.708 10.328 10.471 1.00 1.00 O ATOM 0 H ASP A 63 0.554 9.849 5.494 1.00 1.00 H new ATOM 0 HA ASP A 63 2.687 8.640 7.163 1.00 1.00 H new ATOM 0 HB2 ASP A 63 2.116 10.975 7.939 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.436 10.497 8.085 1.00 1.00 H new ATOM 951 N ILE A 64 0.732 6.907 6.443 1.00 1.00 N ATOM 952 CA ILE A 64 -0.155 5.748 6.553 1.00 1.00 C ATOM 953 C ILE A 64 0.469 4.661 7.417 1.00 1.00 C ATOM 954 O ILE A 64 1.626 4.282 7.226 1.00 1.00 O ATOM 955 CB ILE A 64 -0.471 5.189 5.165 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.282 6.225 4.364 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.268 3.891 5.290 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.644 6.526 5.038 1.00 1.00 C ATOM 0 H ILE A 64 1.376 6.870 5.653 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.080 6.077 7.027 1.00 1.00 H new ATOM 0 HB ILE A 64 0.463 4.979 4.644 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.708 7.147 4.274 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.450 5.854 3.353 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.488 3.502 4.296 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.684 3.158 5.846 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.202 4.087 5.817 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.189 7.261 4.445 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.228 5.608 5.104 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.475 6.921 6.040 1.00 1.00 H new ATOM 970 N SER A 65 -0.321 4.155 8.356 1.00 1.00 N ATOM 971 CA SER A 65 0.133 3.094 9.244 1.00 1.00 C ATOM 972 C SER A 65 0.509 1.865 8.418 1.00 1.00 C ATOM 973 O SER A 65 0.597 1.933 7.195 1.00 1.00 O ATOM 974 CB SER A 65 -0.953 2.748 10.278 1.00 1.00 C ATOM 975 OG SER A 65 -0.457 3.034 11.577 1.00 1.00 O ATOM 0 H SER A 65 -1.279 4.463 8.522 1.00 1.00 H new ATOM 0 HA SER A 65 1.012 3.437 9.790 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.857 3.326 10.084 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.225 1.695 10.201 1.00 1.00 H new ATOM 0 HG SER A 65 -1.142 2.819 12.244 1.00 1.00 H new ATOM 981 N THR A 66 0.743 0.759 9.114 1.00 1.00 N ATOM 982 CA THR A 66 1.105 -0.494 8.460 1.00 1.00 C ATOM 983 C THR A 66 0.157 -0.786 7.298 1.00 1.00 C ATOM 984 O THR A 66 -0.671 0.042 6.928 1.00 1.00 O ATOM 985 CB THR A 66 1.048 -1.647 9.473 1.00 1.00 C ATOM 986 OG1 THR A 66 1.548 -2.829 8.865 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.391 -1.905 9.910 1.00 1.00 C ATOM 0 H THR A 66 0.689 0.704 10.131 1.00 1.00 H new ATOM 0 HA THR A 66 2.119 -0.401 8.071 1.00 1.00 H new ATOM 0 HB THR A 66 1.648 -1.375 10.341 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.821 -3.479 8.767 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.412 -2.725 10.628 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.797 -1.006 10.374 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.994 -2.168 9.041 1.00 1.00 H new ATOM 995 N ILE A 67 0.285 -1.970 6.726 1.00 1.00 N ATOM 996 CA ILE A 67 -0.559 -2.347 5.599 1.00 1.00 C ATOM 997 C ILE A 67 -2.031 -2.308 5.999 1.00 1.00 C ATOM 998 O ILE A 67 -2.875 -1.834 5.238 1.00 1.00 O ATOM 999 CB ILE A 67 -0.194 -3.754 5.130 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.218 -3.748 4.529 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.193 -4.227 4.076 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.746 -5.186 4.405 1.00 1.00 C ATOM 0 H ILE A 67 0.956 -2.681 7.016 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.396 -1.637 4.788 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.224 -4.432 5.983 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.202 -3.272 3.548 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.887 -3.160 5.158 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.926 -5.231 3.746 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.195 -4.240 4.505 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.172 -3.548 3.224 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.749 -5.170 3.977 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.780 -5.648 5.392 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.085 -5.762 3.758 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.335 -2.806 7.190 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.715 -2.817 7.666 1.00 1.00 C ATOM 1016 C GLN A 68 -4.390 -1.476 7.383 1.00 1.00 C ATOM 1017 O GLN A 68 -5.491 -1.433 6.835 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.740 -3.097 9.171 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.273 -4.534 9.437 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.405 -5.513 9.133 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.646 -5.860 7.899 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -5.105 -5.953 10.045 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.655 -3.203 7.839 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.259 -3.601 7.139 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.093 -2.392 9.693 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.748 -2.954 9.561 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.406 -4.764 8.818 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.960 -4.638 10.476 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.916 -5.681 11.010 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.874 -6.589 9.836 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.728 -0.382 7.754 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.280 0.936 7.527 1.00 1.00 C ATOM 1033 C GLN A 69 -4.334 1.241 6.036 1.00 1.00 C ATOM 1034 O GLN A 69 -5.302 1.820 5.547 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.419 1.979 8.235 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.058 3.352 8.123 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.389 3.373 8.862 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.525 2.759 9.920 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.384 4.047 8.364 1.00 1.00 N ATOM 0 H GLN A 69 -2.815 -0.390 8.209 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.294 0.967 7.926 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.299 1.710 9.285 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.422 1.997 7.795 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.391 4.107 8.539 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.212 3.605 7.074 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.268 4.555 7.487 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.280 4.068 8.851 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.286 0.852 5.324 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.222 1.101 3.887 1.00 1.00 C ATOM 1050 C ALA A 70 -4.357 0.385 3.174 1.00 1.00 C ATOM 1051 O ALA A 70 -4.966 0.930 2.254 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.879 0.625 3.330 1.00 1.00 C ATOM 0 H ALA A 70 -2.476 0.368 5.710 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.320 2.173 3.717 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.842 0.815 2.257 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.069 1.164 3.822 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.768 -0.444 3.513 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.643 -0.832 3.607 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.716 -1.608 3.007 1.00 1.00 C ATOM 1060 C ALA A 71 -7.062 -0.949 3.268 1.00 1.00 C ATOM 1061 O ALA A 71 -7.916 -0.898 2.390 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.709 -3.019 3.585 1.00 1.00 C ATOM 0 H ALA A 71 -4.151 -1.302 4.367 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.557 -1.655 1.930 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.514 -3.601 3.135 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.753 -3.496 3.370 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.856 -2.971 4.664 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.246 -0.448 4.484 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.500 0.199 4.843 1.00 1.00 C ATOM 1070 C ASP A 72 -8.666 1.509 4.072 1.00 1.00 C ATOM 1071 O ASP A 72 -9.752 1.820 3.585 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.525 0.480 6.359 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.010 -0.748 7.123 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.153 -1.125 6.934 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.228 -1.291 7.887 1.00 1.00 O ATOM 0 H ASP A 72 -6.551 -0.477 5.230 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.324 -0.466 4.583 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.527 0.757 6.700 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.179 1.327 6.567 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.582 2.271 3.971 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.627 3.548 3.266 1.00 1.00 C ATOM 1082 C VAL A 73 -7.964 3.333 1.793 1.00 1.00 C ATOM 1083 O VAL A 73 -8.782 4.054 1.224 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.278 4.259 3.392 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.254 5.490 2.477 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.067 4.699 4.845 1.00 1.00 C ATOM 0 H VAL A 73 -6.671 2.031 4.363 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.404 4.167 3.715 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.481 3.576 3.098 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.292 5.994 2.570 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.402 5.178 1.443 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.051 6.175 2.767 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.106 5.206 4.936 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.866 5.380 5.138 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.079 3.824 5.495 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.330 2.342 1.187 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.570 2.046 -0.219 1.00 1.00 C ATOM 1098 C ILE A 74 -9.029 1.652 -0.434 1.00 1.00 C ATOM 1099 O ILE A 74 -9.668 2.104 -1.385 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.635 0.909 -0.680 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.224 1.467 -0.923 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.171 0.265 -1.972 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.201 0.337 -0.881 1.00 1.00 C ATOM 0 H ILE A 74 -6.650 1.732 1.641 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.362 2.938 -0.811 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.595 0.148 0.099 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.184 1.969 -1.890 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -4.984 2.214 -0.166 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.501 -0.535 -2.285 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.165 -0.144 -1.789 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.228 1.018 -2.758 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.204 0.742 -1.054 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.232 -0.146 0.096 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.435 -0.394 -1.655 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.547 0.810 0.447 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.927 0.365 0.330 1.00 1.00 C ATOM 1117 C GLU A 75 -11.864 1.562 0.249 1.00 1.00 C ATOM 1118 O GLU A 75 -12.882 1.518 -0.442 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.289 -0.513 1.532 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.663 -1.899 1.357 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.392 -2.664 0.260 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.595 -2.832 0.381 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.737 -3.082 -0.679 1.00 1.00 O ATOM 0 H GLU A 75 -9.039 0.424 1.243 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.036 -0.219 -0.584 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.930 -0.054 2.453 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.372 -0.600 1.620 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.607 -1.801 1.104 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.716 -2.452 2.295 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.502 2.631 0.946 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.306 3.845 0.941 1.00 1.00 C ATOM 1132 C GLY A 76 -12.284 4.503 -0.430 1.00 1.00 C ATOM 1133 O GLY A 76 -13.231 5.190 -0.818 1.00 1.00 O ATOM 0 H GLY A 76 -10.660 2.682 1.520 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.333 3.607 1.219 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -11.926 4.541 1.689 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.188 4.301 -1.159 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.035 4.888 -2.493 1.00 1.00 C ATOM 1139 C LEU A 77 -11.608 3.978 -3.563 1.00 1.00 C ATOM 1140 O LEU A 77 -11.728 4.366 -4.723 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.552 5.150 -2.767 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.054 6.281 -1.854 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.525 6.278 -1.831 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.537 7.649 -2.383 1.00 1.00 C ATOM 0 H LEU A 77 -10.395 3.738 -0.852 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.587 5.828 -2.522 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.973 4.244 -2.590 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.407 5.422 -3.813 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.449 6.120 -0.851 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.169 7.080 -1.184 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.169 5.320 -1.452 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.146 6.432 -2.841 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.177 8.441 -1.726 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.149 7.808 -3.389 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.627 7.666 -2.407 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.970 2.769 -3.166 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.542 1.802 -4.097 1.00 1.00 C ATOM 1158 C LEU A 78 -14.064 1.852 -4.079 1.00 1.00 C ATOM 1159 O LEU A 78 -14.724 1.300 -4.956 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.070 0.390 -3.724 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.649 0.139 -4.252 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.054 -1.101 -3.579 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.663 -0.070 -5.786 1.00 1.00 C ATOM 0 H LEU A 78 -11.879 2.431 -2.208 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.204 2.055 -5.102 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.088 0.269 -2.641 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.754 -0.350 -4.139 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.040 1.012 -4.020 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.047 -1.273 -3.958 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.014 -0.946 -2.501 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.677 -1.968 -3.798 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.647 -0.246 -6.139 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.286 -0.930 -6.030 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.066 0.819 -6.271 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.610 2.503 -3.072 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.055 2.595 -2.939 1.00 1.00 C ATOM 1177 C GLU A 79 -16.662 3.343 -4.114 1.00 1.00 C ATOM 1178 O GLU A 79 -17.467 2.801 -4.869 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.396 3.346 -1.655 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.503 2.845 -0.526 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.998 3.376 0.823 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.922 4.175 0.819 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.464 2.960 1.838 1.00 1.00 O ATOM 0 H GLU A 79 -14.082 2.974 -2.337 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.462 1.584 -2.913 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.254 4.417 -1.798 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.445 3.195 -1.399 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.497 1.755 -0.515 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.476 3.167 -0.696 1.00 1.00 H new