USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.66! C(o=-2.7!,f=-8.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 38 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 160:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -121:sc= -0.155 (180deg=-2.35!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 106:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0.118 (180deg=0.00561) USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0333) USER MOD Single : A 63 THR OG1 : rot 140:sc= -0.782 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.349 -0.159 -0.113 1.00 61.41 N ATOM 2 CA MET A 9 1.763 0.016 -1.500 1.00 42.13 C ATOM 3 C MET A 9 1.646 -1.294 -2.273 1.00 31.14 C ATOM 4 O MET A 9 2.581 -2.095 -2.303 1.00 53.20 O ATOM 5 CB MET A 9 3.202 0.532 -1.564 1.00 40.11 C ATOM 6 CG MET A 9 3.315 2.039 -1.400 1.00 51.12 C ATOM 7 SD MET A 9 3.696 2.527 0.293 1.00 24.12 S ATOM 8 CE MET A 9 2.875 4.116 0.381 1.00 41.21 C ATOM 0 HA MET A 9 1.100 0.749 -1.960 1.00 42.13 H new ATOM 0 HB2 MET A 9 3.789 0.045 -0.785 1.00 40.11 H new ATOM 0 HB3 MET A 9 3.640 0.245 -2.520 1.00 40.11 H new ATOM 0 HG2 MET A 9 4.091 2.416 -2.066 1.00 51.12 H new ATOM 0 HG3 MET A 9 2.378 2.505 -1.706 1.00 51.12 H new ATOM 0 HE1 MET A 9 3.020 4.546 1.372 1.00 41.21 H new ATOM 0 HE2 MET A 9 3.295 4.785 -0.370 1.00 41.21 H new ATOM 0 HE3 MET A 9 1.809 3.986 0.195 1.00 41.21 H new ATOM 18 N LYS A 10 0.492 -1.507 -2.896 1.00 32.24 N ATOM 19 CA LYS A 10 0.252 -2.720 -3.669 1.00 53.40 C ATOM 20 C LYS A 10 -0.275 -2.382 -5.060 1.00 73.21 C ATOM 21 O LYS A 10 -0.918 -1.351 -5.257 1.00 14.32 O ATOM 22 CB LYS A 10 -0.744 -3.625 -2.941 1.00 30.14 C ATOM 23 CG LYS A 10 -0.083 -4.708 -2.105 1.00 51.21 C ATOM 24 CD LYS A 10 -1.107 -5.676 -1.536 1.00 2.21 C ATOM 25 CE LYS A 10 -1.035 -7.031 -2.223 1.00 41.21 C ATOM 26 NZ LYS A 10 -2.082 -7.963 -1.722 1.00 35.10 N ATOM 0 H LYS A 10 -0.292 -0.855 -2.881 1.00 32.24 H new ATOM 0 HA LYS A 10 1.200 -3.247 -3.776 1.00 53.40 H new ATOM 0 HB2 LYS A 10 -1.374 -3.013 -2.295 1.00 30.14 H new ATOM 0 HB3 LYS A 10 -1.400 -4.094 -3.675 1.00 30.14 H new ATOM 0 HG2 LYS A 10 0.635 -5.254 -2.717 1.00 51.21 H new ATOM 0 HG3 LYS A 10 0.477 -4.249 -1.290 1.00 51.21 H new ATOM 0 HD2 LYS A 10 -0.937 -5.800 -0.466 1.00 2.21 H new ATOM 0 HD3 LYS A 10 -2.107 -5.260 -1.654 1.00 2.21 H new ATOM 0 HE2 LYS A 10 -1.151 -6.899 -3.299 1.00 41.21 H new ATOM 0 HE3 LYS A 10 -0.050 -7.469 -2.060 1.00 41.21 H new ATOM 0 HZ1 LYS A 10 -1.999 -8.875 -2.215 1.00 35.10 H new ATOM 0 HZ2 LYS A 10 -1.957 -8.109 -0.700 1.00 35.10 H new ATOM 0 HZ3 LYS A 10 -3.023 -7.557 -1.901 1.00 35.10 H new ATOM 40 N ILE A 11 0.000 -3.258 -6.021 1.00 31.04 N ATOM 41 CA ILE A 11 -0.449 -3.053 -7.392 1.00 71.21 C ATOM 42 C ILE A 11 -1.018 -4.339 -7.982 1.00 61.12 C ATOM 43 O ILE A 11 -0.533 -5.434 -7.697 1.00 31.35 O ATOM 44 CB ILE A 11 0.697 -2.552 -8.291 1.00 32.12 C ATOM 45 CG1 ILE A 11 1.834 -3.576 -8.323 1.00 11.53 C ATOM 46 CG2 ILE A 11 1.204 -1.204 -7.801 1.00 32.15 C ATOM 47 CD1 ILE A 11 2.197 -4.032 -9.718 1.00 41.14 C ATOM 0 H ILE A 11 0.532 -4.116 -5.875 1.00 31.04 H new ATOM 0 HA ILE A 11 -1.231 -2.294 -7.358 1.00 71.21 H new ATOM 0 HB ILE A 11 0.316 -2.428 -9.305 1.00 32.12 H new ATOM 0 HG12 ILE A 11 2.715 -3.143 -7.850 1.00 11.53 H new ATOM 0 HG13 ILE A 11 1.547 -4.444 -7.729 1.00 11.53 H new ATOM 0 HG21 ILE A 11 2.014 -0.863 -8.446 1.00 32.15 H new ATOM 0 HG22 ILE A 11 0.391 -0.479 -7.825 1.00 32.15 H new ATOM 0 HG23 ILE A 11 1.571 -1.303 -6.780 1.00 32.15 H new ATOM 0 HD11 ILE A 11 3.010 -4.757 -9.664 1.00 41.14 H new ATOM 0 HD12 ILE A 11 1.329 -4.495 -10.187 1.00 41.14 H new ATOM 0 HD13 ILE A 11 2.515 -3.174 -10.310 1.00 41.14 H new ATOM 59 N LYS A 12 -2.049 -4.199 -8.809 1.00 4.11 N ATOM 60 CA LYS A 12 -2.683 -5.348 -9.443 1.00 60.33 C ATOM 61 C LYS A 12 -2.539 -5.281 -10.960 1.00 41.33 C ATOM 62 O LYS A 12 -3.052 -4.363 -11.601 1.00 43.24 O ATOM 63 CB LYS A 12 -4.164 -5.413 -9.063 1.00 70.55 C ATOM 64 CG LYS A 12 -4.660 -6.822 -8.787 1.00 24.40 C ATOM 65 CD LYS A 12 -6.166 -6.927 -8.958 1.00 22.31 C ATOM 66 CE LYS A 12 -6.754 -8.010 -8.066 1.00 62.24 C ATOM 67 NZ LYS A 12 -7.570 -7.436 -6.961 1.00 23.02 N ATOM 0 H LYS A 12 -2.463 -3.300 -9.056 1.00 4.11 H new ATOM 0 HA LYS A 12 -2.183 -6.249 -9.088 1.00 60.33 H new ATOM 0 HB2 LYS A 12 -4.331 -4.798 -8.178 1.00 70.55 H new ATOM 0 HB3 LYS A 12 -4.757 -4.980 -9.869 1.00 70.55 H new ATOM 0 HG2 LYS A 12 -4.167 -7.521 -9.462 1.00 24.40 H new ATOM 0 HG3 LYS A 12 -4.387 -7.112 -7.772 1.00 24.40 H new ATOM 0 HD2 LYS A 12 -6.628 -5.969 -8.721 1.00 22.31 H new ATOM 0 HD3 LYS A 12 -6.401 -7.145 -10.000 1.00 22.31 H new ATOM 0 HE2 LYS A 12 -7.373 -8.678 -8.665 1.00 62.24 H new ATOM 0 HE3 LYS A 12 -5.948 -8.613 -7.647 1.00 62.24 H new ATOM 0 HZ1 LYS A 12 -7.953 -8.206 -6.376 1.00 23.02 H new ATOM 0 HZ2 LYS A 12 -6.974 -6.819 -6.374 1.00 23.02 H new ATOM 0 HZ3 LYS A 12 -8.354 -6.882 -7.360 1.00 23.02 H new ATOM 81 N ILE A 13 -1.840 -6.258 -11.528 1.00 10.12 N ATOM 82 CA ILE A 13 -1.632 -6.310 -12.970 1.00 3.35 C ATOM 83 C ILE A 13 -2.211 -7.589 -13.563 1.00 71.31 C ATOM 84 O ILE A 13 -1.815 -8.694 -13.191 1.00 42.04 O ATOM 85 CB ILE A 13 -0.136 -6.223 -13.326 1.00 22.54 C ATOM 86 CG1 ILE A 13 0.058 -6.342 -14.839 1.00 23.13 C ATOM 87 CG2 ILE A 13 0.645 -7.309 -12.599 1.00 50.43 C ATOM 88 CD1 ILE A 13 1.042 -5.341 -15.402 1.00 50.50 C ATOM 0 H ILE A 13 -1.408 -7.024 -11.012 1.00 10.12 H new ATOM 0 HA ILE A 13 -2.149 -5.450 -13.395 1.00 3.35 H new ATOM 0 HB ILE A 13 0.243 -5.253 -13.005 1.00 22.54 H new ATOM 0 HG12 ILE A 13 0.401 -7.349 -15.075 1.00 23.13 H new ATOM 0 HG13 ILE A 13 -0.905 -6.210 -15.332 1.00 23.13 H new ATOM 0 HG21 ILE A 13 1.701 -7.235 -12.860 1.00 50.43 H new ATOM 0 HG22 ILE A 13 0.528 -7.183 -11.523 1.00 50.43 H new ATOM 0 HG23 ILE A 13 0.266 -8.288 -12.893 1.00 50.43 H new ATOM 0 HD11 ILE A 13 1.130 -5.483 -16.479 1.00 50.50 H new ATOM 0 HD12 ILE A 13 0.690 -4.330 -15.197 1.00 50.50 H new ATOM 0 HD13 ILE A 13 2.016 -5.487 -14.936 1.00 50.50 H new ATOM 100 N VAL A 14 -3.151 -7.433 -14.490 1.00 11.51 N ATOM 101 CA VAL A 14 -3.784 -8.575 -15.138 1.00 63.11 C ATOM 102 C VAL A 14 -3.192 -8.818 -16.522 1.00 75.51 C ATOM 103 O VAL A 14 -3.411 -8.053 -17.461 1.00 45.40 O ATOM 104 CB VAL A 14 -5.305 -8.374 -15.270 1.00 31.22 C ATOM 105 CG1 VAL A 14 -5.988 -9.686 -15.626 1.00 51.22 C ATOM 106 CG2 VAL A 14 -5.879 -7.797 -13.985 1.00 10.51 C ATOM 0 H VAL A 14 -3.491 -6.526 -14.809 1.00 11.51 H new ATOM 0 HA VAL A 14 -3.594 -9.443 -14.507 1.00 63.11 H new ATOM 0 HB VAL A 14 -5.492 -7.664 -16.076 1.00 31.22 H new ATOM 0 HG11 VAL A 14 -7.062 -9.524 -15.715 1.00 51.22 H new ATOM 0 HG12 VAL A 14 -5.597 -10.054 -16.574 1.00 51.22 H new ATOM 0 HG13 VAL A 14 -5.795 -10.420 -14.844 1.00 51.22 H new ATOM 0 HG21 VAL A 14 -6.955 -7.661 -14.096 1.00 10.51 H new ATOM 0 HG22 VAL A 14 -5.683 -8.481 -13.159 1.00 10.51 H new ATOM 0 HG23 VAL A 14 -5.411 -6.834 -13.778 1.00 10.51 H new ATOM 116 N PRO A 15 -2.426 -9.911 -16.654 1.00 64.01 N ATOM 117 CA PRO A 15 -1.788 -10.282 -17.921 1.00 5.04 C ATOM 118 C PRO A 15 -2.798 -10.745 -18.965 1.00 3.11 C ATOM 119 O PRO A 15 -3.693 -11.535 -18.668 1.00 60.44 O ATOM 120 CB PRO A 15 -0.860 -11.434 -17.526 1.00 41.04 C ATOM 121 CG PRO A 15 -1.479 -12.017 -16.303 1.00 61.23 C ATOM 122 CD PRO A 15 -2.123 -10.869 -15.577 1.00 41.32 C ATOM 0 HA PRO A 15 -1.272 -9.439 -18.380 1.00 5.04 H new ATOM 0 HB2 PRO A 15 -0.786 -12.174 -18.323 1.00 41.04 H new ATOM 0 HB3 PRO A 15 0.151 -11.078 -17.327 1.00 41.04 H new ATOM 0 HG2 PRO A 15 -2.216 -12.777 -16.563 1.00 61.23 H new ATOM 0 HG3 PRO A 15 -0.728 -12.502 -15.679 1.00 61.23 H new ATOM 0 HD2 PRO A 15 -3.025 -11.181 -15.051 1.00 41.32 H new ATOM 0 HD3 PRO A 15 -1.454 -10.438 -14.832 1.00 41.32 H new ATOM 130 N ALA A 16 -2.647 -10.248 -20.188 1.00 52.22 N ATOM 131 CA ALA A 16 -3.545 -10.613 -21.277 1.00 11.21 C ATOM 132 C ALA A 16 -4.888 -9.903 -21.142 1.00 71.13 C ATOM 133 O ALA A 16 -5.313 -9.181 -22.044 1.00 74.43 O ATOM 134 CB ALA A 16 -3.744 -12.121 -21.314 1.00 11.23 C ATOM 0 H ALA A 16 -1.911 -9.592 -20.450 1.00 52.22 H new ATOM 0 HA ALA A 16 -3.088 -10.295 -22.214 1.00 11.21 H new ATOM 0 HB1 ALA A 16 -4.417 -12.379 -22.132 1.00 11.23 H new ATOM 0 HB2 ALA A 16 -2.782 -12.611 -21.466 1.00 11.23 H new ATOM 0 HB3 ALA A 16 -4.176 -12.454 -20.370 1.00 11.23 H new ATOM 140 N VAL A 17 -5.553 -10.113 -20.010 1.00 65.53 N ATOM 141 CA VAL A 17 -6.848 -9.493 -19.758 1.00 23.44 C ATOM 142 C VAL A 17 -7.919 -10.061 -20.682 1.00 64.22 C ATOM 143 O VAL A 17 -7.613 -10.610 -21.740 1.00 30.32 O ATOM 144 CB VAL A 17 -6.784 -7.965 -19.941 1.00 61.55 C ATOM 145 CG1 VAL A 17 -8.026 -7.305 -19.362 1.00 61.44 C ATOM 146 CG2 VAL A 17 -5.524 -7.404 -19.300 1.00 63.33 C ATOM 0 H VAL A 17 -5.216 -10.708 -19.253 1.00 65.53 H new ATOM 0 HA VAL A 17 -7.110 -9.717 -18.724 1.00 23.44 H new ATOM 0 HB VAL A 17 -6.750 -7.746 -21.008 1.00 61.55 H new ATOM 0 HG11 VAL A 17 -7.963 -6.226 -19.501 1.00 61.44 H new ATOM 0 HG12 VAL A 17 -8.911 -7.685 -19.872 1.00 61.44 H new ATOM 0 HG13 VAL A 17 -8.095 -7.531 -18.298 1.00 61.44 H new ATOM 0 HG21 VAL A 17 -5.495 -6.323 -19.439 1.00 63.33 H new ATOM 0 HG22 VAL A 17 -5.525 -7.633 -18.234 1.00 63.33 H new ATOM 0 HG23 VAL A 17 -4.647 -7.853 -19.767 1.00 63.33 H new ATOM 156 N GLY A 18 -9.177 -9.924 -20.275 1.00 72.55 N ATOM 157 CA GLY A 18 -10.275 -10.429 -21.079 1.00 54.41 C ATOM 158 C GLY A 18 -10.342 -11.943 -21.085 1.00 15.14 C ATOM 159 O GLY A 18 -11.118 -12.534 -21.835 1.00 24.22 O ATOM 0 H GLY A 18 -9.456 -9.473 -19.404 1.00 72.55 H new ATOM 0 HA2 GLY A 18 -11.214 -10.029 -20.698 1.00 54.41 H new ATOM 0 HA3 GLY A 18 -10.167 -10.069 -22.102 1.00 54.41 H new ATOM 163 N GLY A 19 -9.526 -12.573 -20.246 1.00 22.14 N ATOM 164 CA GLY A 19 -9.510 -14.022 -20.174 1.00 31.51 C ATOM 165 C GLY A 19 -8.657 -14.537 -19.031 1.00 74.33 C ATOM 166 O GLY A 19 -8.973 -15.560 -18.424 1.00 4.30 O ATOM 0 H GLY A 19 -8.875 -12.106 -19.615 1.00 22.14 H new ATOM 0 HA2 GLY A 19 -10.530 -14.388 -20.056 1.00 31.51 H new ATOM 0 HA3 GLY A 19 -9.134 -14.425 -21.114 1.00 31.51 H new ATOM 170 N GLY A 20 -7.572 -13.828 -18.738 1.00 42.53 N ATOM 171 CA GLY A 20 -6.687 -14.235 -17.663 1.00 22.41 C ATOM 172 C GLY A 20 -7.179 -13.782 -16.303 1.00 54.21 C ATOM 173 O GLY A 20 -8.344 -13.415 -16.148 1.00 33.42 O ATOM 0 H GLY A 20 -7.290 -12.978 -19.226 1.00 42.53 H new ATOM 0 HA2 GLY A 20 -6.590 -15.321 -17.668 1.00 22.41 H new ATOM 0 HA3 GLY A 20 -5.693 -13.826 -17.841 1.00 22.41 H new ATOM 177 N SER A 21 -6.291 -13.808 -15.315 1.00 11.33 N ATOM 178 CA SER A 21 -6.643 -13.401 -13.959 1.00 75.23 C ATOM 179 C SER A 21 -5.642 -12.385 -13.419 1.00 64.21 C ATOM 180 O SER A 21 -4.472 -12.363 -13.804 1.00 32.33 O ATOM 181 CB SER A 21 -6.699 -14.620 -13.037 1.00 24.24 C ATOM 182 OG SER A 21 -5.688 -15.557 -13.368 1.00 0.31 O ATOM 0 H SER A 21 -5.322 -14.107 -15.427 1.00 11.33 H new ATOM 0 HA SER A 21 -7.627 -12.933 -13.990 1.00 75.23 H new ATOM 0 HB2 SER A 21 -6.580 -14.302 -12.001 1.00 24.24 H new ATOM 0 HB3 SER A 21 -7.678 -15.094 -13.114 1.00 24.24 H new ATOM 0 HG SER A 21 -5.744 -16.326 -12.763 1.00 0.31 H new ATOM 188 N PRO A 22 -6.110 -11.522 -12.505 1.00 62.41 N ATOM 189 CA PRO A 22 -5.272 -10.488 -11.891 1.00 52.32 C ATOM 190 C PRO A 22 -4.227 -11.072 -10.947 1.00 72.42 C ATOM 191 O PRO A 22 -4.480 -12.065 -10.263 1.00 63.11 O ATOM 192 CB PRO A 22 -6.277 -9.633 -11.114 1.00 24.31 C ATOM 193 CG PRO A 22 -7.414 -10.552 -10.828 1.00 52.12 C ATOM 194 CD PRO A 22 -7.493 -11.491 -12.000 1.00 44.21 C ATOM 0 HA PRO A 22 -4.702 -9.931 -12.635 1.00 52.32 H new ATOM 0 HB2 PRO A 22 -5.840 -9.246 -10.194 1.00 24.31 H new ATOM 0 HB3 PRO A 22 -6.601 -8.773 -11.699 1.00 24.31 H new ATOM 0 HG2 PRO A 22 -7.249 -11.099 -9.900 1.00 52.12 H new ATOM 0 HG3 PRO A 22 -8.344 -9.997 -10.710 1.00 52.12 H new ATOM 0 HD2 PRO A 22 -7.833 -12.482 -11.699 1.00 44.21 H new ATOM 0 HD3 PRO A 22 -8.190 -11.131 -12.757 1.00 44.21 H new ATOM 202 N LEU A 23 -3.053 -10.451 -10.914 1.00 73.41 N ATOM 203 CA LEU A 23 -1.969 -10.910 -10.053 1.00 30.33 C ATOM 204 C LEU A 23 -1.511 -9.798 -9.115 1.00 21.13 C ATOM 205 O LEU A 23 -1.340 -8.653 -9.532 1.00 23.21 O ATOM 206 CB LEU A 23 -0.791 -11.398 -10.898 1.00 50.41 C ATOM 207 CG LEU A 23 -0.980 -12.743 -11.600 1.00 41.45 C ATOM 208 CD1 LEU A 23 -0.717 -12.607 -13.092 1.00 62.42 C ATOM 209 CD2 LEU A 23 -0.067 -13.796 -10.989 1.00 75.15 C ATOM 0 H LEU A 23 -2.828 -9.628 -11.473 1.00 73.41 H new ATOM 0 HA LEU A 23 -2.343 -11.738 -9.450 1.00 30.33 H new ATOM 0 HB2 LEU A 23 -0.575 -10.643 -11.654 1.00 50.41 H new ATOM 0 HB3 LEU A 23 0.087 -11.466 -10.256 1.00 50.41 H new ATOM 0 HG LEU A 23 -2.013 -13.062 -11.461 1.00 41.45 H new ATOM 0 HD11 LEU A 23 -0.856 -13.574 -13.576 1.00 62.42 H new ATOM 0 HD12 LEU A 23 -1.412 -11.884 -13.520 1.00 62.42 H new ATOM 0 HD13 LEU A 23 0.306 -12.265 -13.252 1.00 62.42 H new ATOM 0 HD21 LEU A 23 -0.215 -14.747 -11.501 1.00 75.15 H new ATOM 0 HD22 LEU A 23 0.972 -13.484 -11.097 1.00 75.15 H new ATOM 0 HD23 LEU A 23 -0.303 -13.913 -9.931 1.00 75.15 H new ATOM 221 N GLU A 24 -1.313 -10.145 -7.847 1.00 5.53 N ATOM 222 CA GLU A 24 -0.873 -9.175 -6.850 1.00 44.25 C ATOM 223 C GLU A 24 0.651 -9.130 -6.770 1.00 54.25 C ATOM 224 O GLU A 24 1.309 -10.166 -6.665 1.00 0.50 O ATOM 225 CB GLU A 24 -1.456 -9.519 -5.479 1.00 34.14 C ATOM 226 CG GLU A 24 -0.812 -10.733 -4.830 1.00 41.31 C ATOM 227 CD GLU A 24 -1.808 -11.584 -4.067 1.00 61.31 C ATOM 228 OE1 GLU A 24 -2.638 -12.253 -4.717 1.00 72.11 O ATOM 229 OE2 GLU A 24 -1.756 -11.582 -2.819 1.00 53.23 O ATOM 0 H GLU A 24 -1.450 -11.089 -7.486 1.00 5.53 H new ATOM 0 HA GLU A 24 -1.233 -8.192 -7.154 1.00 44.25 H new ATOM 0 HB2 GLU A 24 -1.340 -8.660 -4.818 1.00 34.14 H new ATOM 0 HB3 GLU A 24 -2.526 -9.698 -5.583 1.00 34.14 H new ATOM 0 HG2 GLU A 24 -0.334 -11.341 -5.599 1.00 41.31 H new ATOM 0 HG3 GLU A 24 -0.026 -10.403 -4.151 1.00 41.31 H new ATOM 236 N LEU A 25 1.204 -7.923 -6.822 1.00 63.50 N ATOM 237 CA LEU A 25 2.650 -7.742 -6.756 1.00 43.20 C ATOM 238 C LEU A 25 3.006 -6.484 -5.971 1.00 12.44 C ATOM 239 O LEU A 25 2.188 -5.575 -5.834 1.00 12.42 O ATOM 240 CB LEU A 25 3.239 -7.660 -8.166 1.00 33.13 C ATOM 241 CG LEU A 25 3.165 -8.940 -8.999 1.00 53.01 C ATOM 242 CD1 LEU A 25 2.107 -8.810 -10.084 1.00 41.02 C ATOM 243 CD2 LEU A 25 4.522 -9.258 -9.610 1.00 12.12 C ATOM 0 H LEU A 25 0.674 -7.056 -6.910 1.00 63.50 H new ATOM 0 HA LEU A 25 3.076 -8.603 -6.240 1.00 43.20 H new ATOM 0 HB2 LEU A 25 2.724 -6.867 -8.708 1.00 33.13 H new ATOM 0 HB3 LEU A 25 4.285 -7.363 -8.085 1.00 33.13 H new ATOM 0 HG LEU A 25 2.883 -9.763 -8.342 1.00 53.01 H new ATOM 0 HD11 LEU A 25 2.069 -9.730 -10.667 1.00 41.02 H new ATOM 0 HD12 LEU A 25 1.135 -8.630 -9.625 1.00 41.02 H new ATOM 0 HD13 LEU A 25 2.358 -7.976 -10.739 1.00 41.02 H new ATOM 0 HD21 LEU A 25 4.450 -10.172 -10.199 1.00 12.12 H new ATOM 0 HD22 LEU A 25 4.833 -8.435 -10.253 1.00 12.12 H new ATOM 0 HD23 LEU A 25 5.256 -9.395 -8.816 1.00 12.12 H new ATOM 255 N GLU A 26 4.232 -6.438 -5.459 1.00 32.24 N ATOM 256 CA GLU A 26 4.695 -5.290 -4.688 1.00 62.22 C ATOM 257 C GLU A 26 5.802 -4.548 -5.431 1.00 4.32 C ATOM 258 O GLU A 26 6.928 -5.035 -5.540 1.00 35.34 O ATOM 259 CB GLU A 26 5.199 -5.739 -3.315 1.00 64.31 C ATOM 260 CG GLU A 26 4.202 -5.503 -2.193 1.00 61.04 C ATOM 261 CD GLU A 26 3.605 -6.792 -1.663 1.00 13.12 C ATOM 262 OE1 GLU A 26 3.223 -7.652 -2.484 1.00 3.21 O ATOM 263 OE2 GLU A 26 3.519 -6.940 -0.426 1.00 21.13 O ATOM 0 H GLU A 26 4.922 -7.182 -5.564 1.00 32.24 H new ATOM 0 HA GLU A 26 3.853 -4.611 -4.553 1.00 62.22 H new ATOM 0 HB2 GLU A 26 5.442 -6.801 -3.356 1.00 64.31 H new ATOM 0 HB3 GLU A 26 6.123 -5.209 -3.086 1.00 64.31 H new ATOM 0 HG2 GLU A 26 4.696 -4.974 -1.378 1.00 61.04 H new ATOM 0 HG3 GLU A 26 3.401 -4.857 -2.553 1.00 61.04 H new ATOM 270 N VAL A 27 5.474 -3.365 -5.941 1.00 45.20 N ATOM 271 CA VAL A 27 6.440 -2.554 -6.673 1.00 51.21 C ATOM 272 C VAL A 27 6.279 -1.075 -6.341 1.00 3.42 C ATOM 273 O VAL A 27 5.292 -0.669 -5.729 1.00 34.23 O ATOM 274 CB VAL A 27 6.295 -2.746 -8.194 1.00 50.45 C ATOM 275 CG1 VAL A 27 6.398 -4.219 -8.559 1.00 43.44 C ATOM 276 CG2 VAL A 27 4.979 -2.158 -8.682 1.00 62.11 C ATOM 0 H VAL A 27 4.547 -2.947 -5.861 1.00 45.20 H new ATOM 0 HA VAL A 27 7.431 -2.887 -6.365 1.00 51.21 H new ATOM 0 HB VAL A 27 7.109 -2.216 -8.689 1.00 50.45 H new ATOM 0 HG11 VAL A 27 6.293 -4.335 -9.638 1.00 43.44 H new ATOM 0 HG12 VAL A 27 7.368 -4.605 -8.245 1.00 43.44 H new ATOM 0 HG13 VAL A 27 5.607 -4.775 -8.056 1.00 43.44 H new ATOM 0 HG21 VAL A 27 4.893 -2.302 -9.759 1.00 62.11 H new ATOM 0 HG22 VAL A 27 4.149 -2.658 -8.182 1.00 62.11 H new ATOM 0 HG23 VAL A 27 4.951 -1.092 -8.456 1.00 62.11 H new ATOM 286 N ALA A 28 7.257 -0.272 -6.749 1.00 61.51 N ATOM 287 CA ALA A 28 7.223 1.163 -6.497 1.00 62.21 C ATOM 288 C ALA A 28 7.394 1.952 -7.791 1.00 31.50 C ATOM 289 O ALA A 28 8.445 1.919 -8.432 1.00 14.42 O ATOM 290 CB ALA A 28 8.302 1.548 -5.495 1.00 54.45 C ATOM 0 H ALA A 28 8.083 -0.592 -7.256 1.00 61.51 H new ATOM 0 HA ALA A 28 6.248 1.411 -6.078 1.00 62.21 H new ATOM 0 HB1 ALA A 28 8.265 2.623 -5.316 1.00 54.45 H new ATOM 0 HB2 ALA A 28 8.134 1.018 -4.558 1.00 54.45 H new ATOM 0 HB3 ALA A 28 9.281 1.280 -5.893 1.00 54.45 H new ATOM 296 N PRO A 29 6.337 2.677 -8.187 1.00 23.15 N ATOM 297 CA PRO A 29 6.346 3.488 -9.408 1.00 21.42 C ATOM 298 C PRO A 29 7.260 4.703 -9.290 1.00 61.55 C ATOM 299 O PRO A 29 7.568 5.358 -10.285 1.00 75.11 O ATOM 300 CB PRO A 29 4.887 3.928 -9.552 1.00 22.11 C ATOM 301 CG PRO A 29 4.342 3.890 -8.166 1.00 55.22 C ATOM 302 CD PRO A 29 5.053 2.762 -7.472 1.00 33.13 C ATOM 0 HA PRO A 29 6.724 2.931 -10.265 1.00 21.42 H new ATOM 0 HB2 PRO A 29 4.815 4.929 -9.978 1.00 22.11 H new ATOM 0 HB3 PRO A 29 4.335 3.260 -10.213 1.00 22.11 H new ATOM 0 HG2 PRO A 29 4.516 4.836 -7.652 1.00 55.22 H new ATOM 0 HG3 PRO A 29 3.265 3.725 -8.175 1.00 55.22 H new ATOM 0 HD2 PRO A 29 5.197 2.969 -6.412 1.00 33.13 H new ATOM 0 HD3 PRO A 29 4.492 1.830 -7.541 1.00 33.13 H new ATOM 310 N ASN A 30 7.692 4.997 -8.068 1.00 75.13 N ATOM 311 CA ASN A 30 8.571 6.134 -7.821 1.00 71.14 C ATOM 312 C ASN A 30 10.032 5.746 -8.025 1.00 62.33 C ATOM 313 O ASN A 30 10.939 6.518 -7.717 1.00 1.15 O ATOM 314 CB ASN A 30 8.366 6.665 -6.401 1.00 70.31 C ATOM 315 CG ASN A 30 8.661 5.618 -5.344 1.00 62.14 C ATOM 316 OD1 ASN A 30 9.036 4.489 -5.661 1.00 24.10 O ATOM 317 ND2 ASN A 30 8.492 5.989 -4.081 1.00 5.14 N ATOM 0 H ASN A 30 7.448 4.464 -7.234 1.00 75.13 H new ATOM 0 HA ASN A 30 8.319 6.918 -8.535 1.00 71.14 H new ATOM 0 HB2 ASN A 30 9.011 7.529 -6.243 1.00 70.31 H new ATOM 0 HB3 ASN A 30 7.338 7.010 -6.290 1.00 70.31 H new ATOM 0 HD21 ASN A 30 8.675 5.328 -3.326 1.00 5.14 H new ATOM 0 HD22 ASN A 30 8.180 6.936 -3.865 1.00 5.14 H new ATOM 324 N ALA A 31 10.252 4.544 -8.548 1.00 21.31 N ATOM 325 CA ALA A 31 11.602 4.054 -8.796 1.00 24.23 C ATOM 326 C ALA A 31 11.932 4.081 -10.284 1.00 75.24 C ATOM 327 O ALA A 31 12.623 4.981 -10.762 1.00 71.14 O ATOM 328 CB ALA A 31 11.762 2.645 -8.243 1.00 45.32 C ATOM 0 H ALA A 31 9.512 3.892 -8.808 1.00 21.31 H new ATOM 0 HA ALA A 31 12.301 4.715 -8.284 1.00 24.23 H new ATOM 0 HB1 ALA A 31 12.775 2.292 -8.435 1.00 45.32 H new ATOM 0 HB2 ALA A 31 11.578 2.653 -7.169 1.00 45.32 H new ATOM 0 HB3 ALA A 31 11.048 1.980 -8.729 1.00 45.32 H new ATOM 334 N THR A 32 11.433 3.088 -11.014 1.00 73.23 N ATOM 335 CA THR A 32 11.675 2.997 -12.448 1.00 64.34 C ATOM 336 C THR A 32 10.610 2.149 -13.134 1.00 31.34 C ATOM 337 O THR A 32 10.144 1.152 -12.580 1.00 44.42 O ATOM 338 CB THR A 32 13.063 2.397 -12.747 1.00 14.15 C ATOM 339 OG1 THR A 32 13.969 2.706 -11.682 1.00 11.21 O ATOM 340 CG2 THR A 32 13.613 2.933 -14.060 1.00 10.15 C ATOM 0 H THR A 32 10.858 2.335 -10.635 1.00 73.23 H new ATOM 0 HA THR A 32 11.634 4.013 -12.840 1.00 64.34 H new ATOM 0 HB THR A 32 12.957 1.315 -12.831 1.00 14.15 H new ATOM 0 HG1 THR A 32 14.848 2.320 -11.878 1.00 11.21 H new ATOM 0 HG21 THR A 32 14.593 2.495 -14.250 1.00 10.15 H new ATOM 0 HG22 THR A 32 12.935 2.671 -14.872 1.00 10.15 H new ATOM 0 HG23 THR A 32 13.705 4.017 -14.000 1.00 10.15 H new ATOM 348 N VAL A 33 10.228 2.550 -14.342 1.00 33.40 N ATOM 349 CA VAL A 33 9.218 1.825 -15.104 1.00 72.10 C ATOM 350 C VAL A 33 9.742 0.468 -15.560 1.00 42.11 C ATOM 351 O VAL A 33 9.040 -0.539 -15.483 1.00 13.24 O ATOM 352 CB VAL A 33 8.762 2.628 -16.337 1.00 32.41 C ATOM 353 CG1 VAL A 33 7.739 1.838 -17.140 1.00 2.21 C ATOM 354 CG2 VAL A 33 8.196 3.975 -15.915 1.00 53.23 C ATOM 0 H VAL A 33 10.603 3.373 -14.814 1.00 33.40 H new ATOM 0 HA VAL A 33 8.366 1.677 -14.440 1.00 72.10 H new ATOM 0 HB VAL A 33 9.628 2.807 -16.974 1.00 32.41 H new ATOM 0 HG11 VAL A 33 7.428 2.421 -18.007 1.00 2.21 H new ATOM 0 HG12 VAL A 33 8.184 0.900 -17.473 1.00 2.21 H new ATOM 0 HG13 VAL A 33 6.871 1.626 -16.515 1.00 2.21 H new ATOM 0 HG21 VAL A 33 7.879 4.529 -16.798 1.00 53.23 H new ATOM 0 HG22 VAL A 33 7.341 3.820 -15.257 1.00 53.23 H new ATOM 0 HG23 VAL A 33 8.962 4.542 -15.387 1.00 53.23 H new ATOM 364 N GLY A 34 10.984 0.449 -16.036 1.00 74.12 N ATOM 365 CA GLY A 34 11.582 -0.790 -16.498 1.00 1.02 C ATOM 366 C GLY A 34 11.851 -1.761 -15.365 1.00 74.34 C ATOM 367 O GLY A 34 11.767 -2.975 -15.547 1.00 63.54 O ATOM 0 H GLY A 34 11.586 1.269 -16.110 1.00 74.12 H new ATOM 0 HA2 GLY A 34 10.921 -1.260 -17.226 1.00 1.02 H new ATOM 0 HA3 GLY A 34 12.517 -0.569 -17.013 1.00 1.02 H new ATOM 371 N ALA A 35 12.175 -1.226 -14.193 1.00 45.12 N ATOM 372 CA ALA A 35 12.457 -2.054 -13.027 1.00 51.21 C ATOM 373 C ALA A 35 11.210 -2.805 -12.573 1.00 71.13 C ATOM 374 O ALA A 35 11.257 -4.008 -12.314 1.00 43.33 O ATOM 375 CB ALA A 35 13.003 -1.199 -11.893 1.00 33.44 C ATOM 0 H ALA A 35 12.249 -0.223 -14.026 1.00 45.12 H new ATOM 0 HA ALA A 35 13.210 -2.790 -13.308 1.00 51.21 H new ATOM 0 HB1 ALA A 35 13.209 -1.830 -11.028 1.00 33.44 H new ATOM 0 HB2 ALA A 35 13.924 -0.712 -12.215 1.00 33.44 H new ATOM 0 HB3 ALA A 35 12.268 -0.441 -11.622 1.00 33.44 H new ATOM 381 N VAL A 36 10.095 -2.088 -12.478 1.00 75.33 N ATOM 382 CA VAL A 36 8.834 -2.688 -12.056 1.00 3.41 C ATOM 383 C VAL A 36 8.303 -3.651 -13.111 1.00 61.22 C ATOM 384 O VAL A 36 7.773 -4.714 -12.786 1.00 4.23 O ATOM 385 CB VAL A 36 7.768 -1.612 -11.775 1.00 72.40 C ATOM 386 CG1 VAL A 36 8.155 -0.780 -10.562 1.00 41.14 C ATOM 387 CG2 VAL A 36 7.568 -0.729 -12.997 1.00 0.30 C ATOM 0 H VAL A 36 10.039 -1.091 -12.687 1.00 75.33 H new ATOM 0 HA VAL A 36 9.036 -3.238 -11.137 1.00 3.41 H new ATOM 0 HB VAL A 36 6.823 -2.110 -11.557 1.00 72.40 H new ATOM 0 HG11 VAL A 36 7.390 -0.025 -10.379 1.00 41.14 H new ATOM 0 HG12 VAL A 36 8.242 -1.427 -9.689 1.00 41.14 H new ATOM 0 HG13 VAL A 36 9.111 -0.290 -10.747 1.00 41.14 H new ATOM 0 HG21 VAL A 36 6.812 0.025 -12.781 1.00 0.30 H new ATOM 0 HG22 VAL A 36 8.508 -0.238 -13.249 1.00 0.30 H new ATOM 0 HG23 VAL A 36 7.241 -1.340 -13.838 1.00 0.30 H new ATOM 397 N ARG A 37 8.449 -3.273 -14.377 1.00 13.12 N ATOM 398 CA ARG A 37 7.983 -4.103 -15.481 1.00 31.31 C ATOM 399 C ARG A 37 8.744 -5.425 -15.526 1.00 30.13 C ATOM 400 O ARG A 37 8.154 -6.488 -15.720 1.00 34.44 O ATOM 401 CB ARG A 37 8.147 -3.362 -16.809 1.00 65.41 C ATOM 402 CG ARG A 37 7.517 -4.082 -17.990 1.00 71.01 C ATOM 403 CD ARG A 37 7.793 -3.356 -19.297 1.00 42.42 C ATOM 404 NE ARG A 37 8.557 -4.179 -20.230 1.00 62.43 N ATOM 405 CZ ARG A 37 9.020 -3.735 -21.394 1.00 20.44 C ATOM 406 NH1 ARG A 37 8.798 -2.482 -21.764 1.00 50.13 N ATOM 407 NH2 ARG A 37 9.707 -4.546 -22.189 1.00 1.35 N ATOM 0 H ARG A 37 8.886 -2.397 -14.663 1.00 13.12 H new ATOM 0 HA ARG A 37 6.926 -4.317 -15.321 1.00 31.31 H new ATOM 0 HB2 ARG A 37 7.703 -2.371 -16.720 1.00 65.41 H new ATOM 0 HB3 ARG A 37 9.209 -3.218 -17.006 1.00 65.41 H new ATOM 0 HG2 ARG A 37 7.907 -5.098 -18.048 1.00 71.01 H new ATOM 0 HG3 ARG A 37 6.441 -4.162 -17.837 1.00 71.01 H new ATOM 0 HD2 ARG A 37 6.848 -3.068 -19.758 1.00 42.42 H new ATOM 0 HD3 ARG A 37 8.341 -2.437 -19.092 1.00 42.42 H new ATOM 0 HE ARG A 37 8.746 -5.148 -19.974 1.00 62.43 H new ATOM 0 HH11 ARG A 37 8.271 -1.856 -21.155 1.00 50.13 H new ATOM 0 HH12 ARG A 37 9.154 -2.143 -22.658 1.00 50.13 H new ATOM 0 HH21 ARG A 37 9.880 -5.511 -21.907 1.00 1.35 H new ATOM 0 HH22 ARG A 37 10.062 -4.204 -23.082 1.00 1.35 H new ATOM 421 N THR A 38 10.059 -5.351 -15.346 1.00 22.32 N ATOM 422 CA THR A 38 10.901 -6.540 -15.367 1.00 65.53 C ATOM 423 C THR A 38 10.650 -7.415 -14.144 1.00 51.31 C ATOM 424 O THR A 38 10.660 -8.643 -14.233 1.00 14.31 O ATOM 425 CB THR A 38 12.396 -6.170 -15.421 1.00 14.33 C ATOM 426 OG1 THR A 38 12.632 -5.242 -16.486 1.00 24.24 O ATOM 427 CG2 THR A 38 13.254 -7.410 -15.621 1.00 10.40 C ATOM 0 H THR A 38 10.564 -4.480 -15.184 1.00 22.32 H new ATOM 0 HA THR A 38 10.639 -7.096 -16.267 1.00 65.53 H new ATOM 0 HB THR A 38 12.669 -5.710 -14.471 1.00 14.33 H new ATOM 0 HG1 THR A 38 12.315 -4.353 -16.221 1.00 24.24 H new ATOM 0 HG21 THR A 38 14.305 -7.123 -15.656 1.00 10.40 H new ATOM 0 HG22 THR A 38 13.094 -8.101 -14.793 1.00 10.40 H new ATOM 0 HG23 THR A 38 12.979 -7.896 -16.557 1.00 10.40 H new ATOM 435 N LYS A 39 10.424 -6.775 -13.002 1.00 11.22 N ATOM 436 CA LYS A 39 10.167 -7.494 -11.759 1.00 43.44 C ATOM 437 C LYS A 39 8.883 -8.311 -11.859 1.00 3.11 C ATOM 438 O LYS A 39 8.845 -9.476 -11.463 1.00 51.02 O ATOM 439 CB LYS A 39 10.071 -6.512 -10.589 1.00 75.31 C ATOM 440 CG LYS A 39 9.985 -7.190 -9.233 1.00 32.15 C ATOM 441 CD LYS A 39 11.321 -7.785 -8.821 1.00 71.30 C ATOM 442 CE LYS A 39 11.177 -9.239 -8.396 1.00 54.42 C ATOM 443 NZ LYS A 39 12.471 -9.812 -7.934 1.00 73.51 N ATOM 0 H LYS A 39 10.413 -5.759 -12.911 1.00 11.22 H new ATOM 0 HA LYS A 39 10.998 -8.177 -11.584 1.00 43.44 H new ATOM 0 HB2 LYS A 39 10.941 -5.856 -10.604 1.00 75.31 H new ATOM 0 HB3 LYS A 39 9.193 -5.880 -10.727 1.00 75.31 H new ATOM 0 HG2 LYS A 39 9.661 -6.467 -8.484 1.00 32.15 H new ATOM 0 HG3 LYS A 39 9.230 -7.976 -9.265 1.00 32.15 H new ATOM 0 HD2 LYS A 39 12.023 -7.716 -9.652 1.00 71.30 H new ATOM 0 HD3 LYS A 39 11.741 -7.205 -7.999 1.00 71.30 H new ATOM 0 HE2 LYS A 39 10.441 -9.312 -7.595 1.00 54.42 H new ATOM 0 HE3 LYS A 39 10.798 -9.826 -9.232 1.00 54.42 H new ATOM 0 HZ1 LYS A 39 12.331 -10.804 -7.653 1.00 73.51 H new ATOM 0 HZ2 LYS A 39 13.167 -9.766 -8.706 1.00 73.51 H new ATOM 0 HZ3 LYS A 39 12.821 -9.268 -7.120 1.00 73.51 H new ATOM 457 N VAL A 40 7.834 -7.693 -12.391 1.00 55.02 N ATOM 458 CA VAL A 40 6.548 -8.364 -12.545 1.00 64.22 C ATOM 459 C VAL A 40 6.626 -9.464 -13.598 1.00 33.54 C ATOM 460 O VAL A 40 6.164 -10.584 -13.375 1.00 34.22 O ATOM 461 CB VAL A 40 5.440 -7.370 -12.938 1.00 75.11 C ATOM 462 CG1 VAL A 40 4.089 -8.069 -12.990 1.00 4.13 C ATOM 463 CG2 VAL A 40 5.406 -6.199 -11.968 1.00 2.11 C ATOM 0 H VAL A 40 7.849 -6.729 -12.723 1.00 55.02 H new ATOM 0 HA VAL A 40 6.303 -8.806 -11.579 1.00 64.22 H new ATOM 0 HB VAL A 40 5.660 -6.982 -13.933 1.00 75.11 H new ATOM 0 HG11 VAL A 40 3.318 -7.351 -13.269 1.00 4.13 H new ATOM 0 HG12 VAL A 40 4.122 -8.871 -13.728 1.00 4.13 H new ATOM 0 HG13 VAL A 40 3.858 -8.487 -12.010 1.00 4.13 H new ATOM 0 HG21 VAL A 40 4.617 -5.506 -12.261 1.00 2.11 H new ATOM 0 HG22 VAL A 40 5.210 -6.567 -10.961 1.00 2.11 H new ATOM 0 HG23 VAL A 40 6.366 -5.684 -11.986 1.00 2.11 H new ATOM 473 N CYS A 41 7.213 -9.139 -14.744 1.00 14.32 N ATOM 474 CA CYS A 41 7.351 -10.100 -15.832 1.00 54.24 C ATOM 475 C CYS A 41 8.070 -11.358 -15.358 1.00 62.35 C ATOM 476 O CYS A 41 7.644 -12.476 -15.649 1.00 40.41 O ATOM 477 CB CYS A 41 8.111 -9.472 -17.001 1.00 64.22 C ATOM 478 SG CYS A 41 7.079 -9.097 -18.438 1.00 23.34 S ATOM 0 H CYS A 41 7.601 -8.217 -14.944 1.00 14.32 H new ATOM 0 HA CYS A 41 6.352 -10.380 -16.166 1.00 54.24 H new ATOM 0 HB2 CYS A 41 8.586 -8.553 -16.659 1.00 64.22 H new ATOM 0 HB3 CYS A 41 8.909 -10.149 -17.307 1.00 64.22 H new ATOM 0 HG CYS A 41 7.675 -8.212 -19.181 1.00 23.34 H new ATOM 484 N ALA A 42 9.165 -11.169 -14.629 1.00 14.44 N ATOM 485 CA ALA A 42 9.943 -12.288 -14.114 1.00 63.33 C ATOM 486 C ALA A 42 9.138 -13.099 -13.105 1.00 70.50 C ATOM 487 O ALA A 42 9.205 -14.328 -13.087 1.00 60.15 O ATOM 488 CB ALA A 42 11.234 -11.788 -13.483 1.00 13.55 C ATOM 0 H ALA A 42 9.533 -10.250 -14.382 1.00 14.44 H new ATOM 0 HA ALA A 42 10.190 -12.941 -14.951 1.00 63.33 H new ATOM 0 HB1 ALA A 42 11.805 -12.635 -13.103 1.00 13.55 H new ATOM 0 HB2 ALA A 42 11.824 -11.260 -14.232 1.00 13.55 H new ATOM 0 HB3 ALA A 42 10.999 -11.111 -12.662 1.00 13.55 H new ATOM 494 N MET A 43 8.378 -12.404 -12.266 1.00 33.03 N ATOM 495 CA MET A 43 7.559 -13.061 -11.253 1.00 60.24 C ATOM 496 C MET A 43 6.560 -14.016 -11.898 1.00 73.24 C ATOM 497 O MET A 43 6.169 -15.019 -11.301 1.00 13.04 O ATOM 498 CB MET A 43 6.818 -12.021 -10.412 1.00 54.51 C ATOM 499 CG MET A 43 6.839 -12.317 -8.921 1.00 41.04 C ATOM 500 SD MET A 43 8.009 -11.279 -8.024 1.00 30.34 S ATOM 501 CE MET A 43 9.040 -12.523 -7.249 1.00 54.14 C ATOM 0 H MET A 43 8.312 -11.386 -12.267 1.00 33.03 H new ATOM 0 HA MET A 43 8.220 -13.637 -10.605 1.00 60.24 H new ATOM 0 HB2 MET A 43 7.263 -11.041 -10.586 1.00 54.51 H new ATOM 0 HB3 MET A 43 5.783 -11.965 -10.748 1.00 54.51 H new ATOM 0 HG2 MET A 43 5.840 -12.170 -8.511 1.00 41.04 H new ATOM 0 HG3 MET A 43 7.096 -13.365 -8.766 1.00 41.04 H new ATOM 0 HE1 MET A 43 9.815 -12.036 -6.657 1.00 54.14 H new ATOM 0 HE2 MET A 43 8.428 -13.150 -6.601 1.00 54.14 H new ATOM 0 HE3 MET A 43 9.505 -13.140 -8.018 1.00 54.14 H new ATOM 511 N LYS A 44 6.150 -13.699 -13.122 1.00 15.33 N ATOM 512 CA LYS A 44 5.196 -14.529 -13.849 1.00 44.50 C ATOM 513 C LYS A 44 5.916 -15.463 -14.817 1.00 12.24 C ATOM 514 O LYS A 44 5.305 -16.356 -15.404 1.00 53.31 O ATOM 515 CB LYS A 44 4.204 -13.650 -14.614 1.00 62.14 C ATOM 516 CG LYS A 44 3.603 -12.537 -13.774 1.00 31.13 C ATOM 517 CD LYS A 44 2.595 -13.077 -12.772 1.00 45.34 C ATOM 518 CE LYS A 44 3.251 -13.390 -11.436 1.00 13.41 C ATOM 519 NZ LYS A 44 3.194 -14.843 -11.117 1.00 63.13 N ATOM 0 H LYS A 44 6.464 -12.873 -13.631 1.00 15.33 H new ATOM 0 HA LYS A 44 4.652 -15.134 -13.124 1.00 44.50 H new ATOM 0 HB2 LYS A 44 4.709 -13.212 -15.475 1.00 62.14 H new ATOM 0 HB3 LYS A 44 3.400 -14.276 -15.001 1.00 62.14 H new ATOM 0 HG2 LYS A 44 4.397 -12.010 -13.245 1.00 31.13 H new ATOM 0 HG3 LYS A 44 3.117 -11.810 -14.425 1.00 31.13 H new ATOM 0 HD2 LYS A 44 1.799 -12.347 -12.626 1.00 45.34 H new ATOM 0 HD3 LYS A 44 2.131 -13.979 -13.171 1.00 45.34 H new ATOM 0 HE2 LYS A 44 4.291 -13.063 -11.457 1.00 13.41 H new ATOM 0 HE3 LYS A 44 2.755 -12.825 -10.647 1.00 13.41 H new ATOM 0 HZ1 LYS A 44 2.687 -14.982 -10.220 1.00 63.13 H new ATOM 0 HZ2 LYS A 44 2.695 -15.346 -11.878 1.00 63.13 H new ATOM 0 HZ3 LYS A 44 4.160 -15.217 -11.030 1.00 63.13 H new ATOM 533 N LYS A 45 7.218 -15.253 -14.977 1.00 10.50 N ATOM 534 CA LYS A 45 8.022 -16.077 -15.871 1.00 23.21 C ATOM 535 C LYS A 45 7.555 -15.929 -17.315 1.00 45.44 C ATOM 536 O LYS A 45 7.224 -16.914 -17.976 1.00 62.00 O ATOM 537 CB LYS A 45 7.948 -17.546 -15.448 1.00 73.12 C ATOM 538 CG LYS A 45 9.044 -18.408 -16.049 1.00 71.55 C ATOM 539 CD LYS A 45 10.405 -18.067 -15.466 1.00 71.13 C ATOM 540 CE LYS A 45 10.472 -18.390 -13.982 1.00 20.24 C ATOM 541 NZ LYS A 45 11.870 -18.629 -13.528 1.00 44.35 N ATOM 0 H LYS A 45 7.739 -14.518 -14.499 1.00 10.50 H new ATOM 0 HA LYS A 45 9.056 -15.738 -15.806 1.00 23.21 H new ATOM 0 HB2 LYS A 45 8.005 -17.606 -14.361 1.00 73.12 H new ATOM 0 HB3 LYS A 45 6.979 -17.951 -15.739 1.00 73.12 H new ATOM 0 HG2 LYS A 45 8.822 -19.459 -15.867 1.00 71.55 H new ATOM 0 HG3 LYS A 45 9.065 -18.270 -17.130 1.00 71.55 H new ATOM 0 HD2 LYS A 45 11.179 -18.623 -15.996 1.00 71.13 H new ATOM 0 HD3 LYS A 45 10.612 -17.008 -15.619 1.00 71.13 H new ATOM 0 HE2 LYS A 45 10.041 -17.567 -13.412 1.00 20.24 H new ATOM 0 HE3 LYS A 45 9.867 -19.273 -13.775 1.00 20.24 H new ATOM 0 HZ1 LYS A 45 11.872 -18.846 -12.511 1.00 44.35 H new ATOM 0 HZ2 LYS A 45 12.274 -19.430 -14.054 1.00 44.35 H new ATOM 0 HZ3 LYS A 45 12.442 -17.778 -13.702 1.00 44.35 H new ATOM 555 N LEU A 46 7.533 -14.692 -17.801 1.00 32.23 N ATOM 556 CA LEU A 46 7.108 -14.415 -19.168 1.00 41.25 C ATOM 557 C LEU A 46 8.177 -13.630 -19.922 1.00 62.21 C ATOM 558 O LEU A 46 9.048 -12.993 -19.329 1.00 52.33 O ATOM 559 CB LEU A 46 5.793 -13.634 -19.167 1.00 33.05 C ATOM 560 CG LEU A 46 4.516 -14.470 -19.074 1.00 71.44 C ATOM 561 CD1 LEU A 46 3.544 -13.853 -18.081 1.00 21.23 C ATOM 562 CD2 LEU A 46 3.867 -14.606 -20.444 1.00 51.41 C ATOM 0 H LEU A 46 7.805 -13.866 -17.268 1.00 32.23 H new ATOM 0 HA LEU A 46 6.957 -15.368 -19.675 1.00 41.25 H new ATOM 0 HB2 LEU A 46 5.809 -12.936 -18.330 1.00 33.05 H new ATOM 0 HB3 LEU A 46 5.747 -13.037 -20.078 1.00 33.05 H new ATOM 0 HG LEU A 46 4.782 -15.466 -18.719 1.00 71.44 H new ATOM 0 HD11 LEU A 46 2.642 -14.462 -18.029 1.00 21.23 H new ATOM 0 HD12 LEU A 46 4.009 -13.808 -17.096 1.00 21.23 H new ATOM 0 HD13 LEU A 46 3.283 -12.845 -18.405 1.00 21.23 H new ATOM 0 HD21 LEU A 46 2.960 -15.204 -20.359 1.00 51.41 H new ATOM 0 HD22 LEU A 46 3.615 -13.617 -20.827 1.00 51.41 H new ATOM 0 HD23 LEU A 46 4.561 -15.095 -21.128 1.00 51.41 H new ATOM 574 N PRO A 47 8.111 -13.675 -21.261 1.00 53.20 N ATOM 575 CA PRO A 47 9.064 -12.971 -22.125 1.00 33.52 C ATOM 576 C PRO A 47 8.889 -11.458 -22.069 1.00 11.32 C ATOM 577 O PRO A 47 7.886 -10.907 -22.525 1.00 25.14 O ATOM 578 CB PRO A 47 8.730 -13.497 -23.523 1.00 54.12 C ATOM 579 CG PRO A 47 7.303 -13.917 -23.439 1.00 72.11 C ATOM 580 CD PRO A 47 7.100 -14.415 -22.035 1.00 12.12 C ATOM 0 HA PRO A 47 10.096 -13.148 -21.823 1.00 33.52 H new ATOM 0 HB2 PRO A 47 8.872 -12.726 -24.280 1.00 54.12 H new ATOM 0 HB3 PRO A 47 9.373 -14.334 -23.795 1.00 54.12 H new ATOM 0 HG2 PRO A 47 6.637 -13.082 -23.657 1.00 72.11 H new ATOM 0 HG3 PRO A 47 7.083 -14.699 -24.166 1.00 72.11 H new ATOM 0 HD2 PRO A 47 6.091 -14.210 -21.678 1.00 12.12 H new ATOM 0 HD3 PRO A 47 7.250 -15.492 -21.965 1.00 12.12 H new ATOM 588 N PRO A 48 9.886 -10.767 -21.497 1.00 44.32 N ATOM 589 CA PRO A 48 9.866 -9.307 -21.369 1.00 41.42 C ATOM 590 C PRO A 48 10.019 -8.605 -22.714 1.00 42.42 C ATOM 591 O PRO A 48 9.509 -7.502 -22.911 1.00 53.32 O ATOM 592 CB PRO A 48 11.071 -9.012 -20.472 1.00 70.32 C ATOM 593 CG PRO A 48 11.992 -10.164 -20.685 1.00 34.24 C ATOM 594 CD PRO A 48 11.111 -11.358 -20.932 1.00 42.35 C ATOM 0 HA PRO A 48 8.919 -8.947 -20.966 1.00 41.42 H new ATOM 0 HB2 PRO A 48 11.546 -8.070 -20.744 1.00 70.32 H new ATOM 0 HB3 PRO A 48 10.775 -8.929 -19.426 1.00 70.32 H new ATOM 0 HG2 PRO A 48 12.652 -9.984 -21.533 1.00 34.24 H new ATOM 0 HG3 PRO A 48 12.628 -10.322 -19.814 1.00 34.24 H new ATOM 0 HD2 PRO A 48 11.573 -12.062 -21.624 1.00 42.35 H new ATOM 0 HD3 PRO A 48 10.906 -11.904 -20.011 1.00 42.35 H new ATOM 602 N ASP A 49 10.724 -9.250 -23.636 1.00 63.44 N ATOM 603 CA ASP A 49 10.943 -8.688 -24.964 1.00 62.31 C ATOM 604 C ASP A 49 9.642 -8.648 -25.759 1.00 35.24 C ATOM 605 O ASP A 49 9.358 -7.676 -26.459 1.00 42.32 O ATOM 606 CB ASP A 49 11.992 -9.505 -25.721 1.00 31.15 C ATOM 607 CG ASP A 49 12.393 -8.859 -27.032 1.00 60.43 C ATOM 608 OD1 ASP A 49 12.527 -7.619 -27.066 1.00 4.54 O ATOM 609 OD2 ASP A 49 12.572 -9.595 -28.026 1.00 13.02 O ATOM 0 H ASP A 49 11.154 -10.163 -23.489 1.00 63.44 H new ATOM 0 HA ASP A 49 11.306 -7.667 -24.843 1.00 62.31 H new ATOM 0 HB2 ASP A 49 12.875 -9.627 -25.094 1.00 31.15 H new ATOM 0 HB3 ASP A 49 11.600 -10.503 -25.916 1.00 31.15 H new ATOM 614 N THR A 50 8.852 -9.712 -25.646 1.00 22.01 N ATOM 615 CA THR A 50 7.582 -9.800 -26.355 1.00 11.21 C ATOM 616 C THR A 50 6.417 -9.434 -25.443 1.00 34.34 C ATOM 617 O THR A 50 5.289 -9.886 -25.646 1.00 41.22 O ATOM 618 CB THR A 50 7.351 -11.213 -26.922 1.00 24.31 C ATOM 619 OG1 THR A 50 8.536 -12.003 -26.766 1.00 12.21 O ATOM 620 CG2 THR A 50 6.968 -11.151 -28.393 1.00 12.44 C ATOM 0 H THR A 50 9.070 -10.525 -25.070 1.00 22.01 H new ATOM 0 HA THR A 50 7.631 -9.090 -27.180 1.00 11.21 H new ATOM 0 HB THR A 50 6.532 -11.673 -26.369 1.00 24.31 H new ATOM 0 HG1 THR A 50 8.381 -12.901 -27.127 1.00 12.21 H new ATOM 0 HG21 THR A 50 6.810 -12.161 -28.771 1.00 12.44 H new ATOM 0 HG22 THR A 50 6.050 -10.574 -28.506 1.00 12.44 H new ATOM 0 HG23 THR A 50 7.769 -10.674 -28.958 1.00 12.44 H new ATOM 628 N THR A 51 6.695 -8.613 -24.435 1.00 52.41 N ATOM 629 CA THR A 51 5.670 -8.187 -23.491 1.00 14.41 C ATOM 630 C THR A 51 5.852 -6.723 -23.104 1.00 62.42 C ATOM 631 O THR A 51 6.977 -6.248 -22.952 1.00 4.41 O ATOM 632 CB THR A 51 5.688 -9.049 -22.215 1.00 32.21 C ATOM 633 OG1 THR A 51 5.340 -10.401 -22.533 1.00 24.53 O ATOM 634 CG2 THR A 51 4.719 -8.502 -21.178 1.00 11.33 C ATOM 0 H THR A 51 7.622 -8.230 -24.252 1.00 52.41 H new ATOM 0 HA THR A 51 4.709 -8.311 -23.991 1.00 14.41 H new ATOM 0 HB THR A 51 6.695 -9.021 -21.798 1.00 32.21 H new ATOM 0 HG1 THR A 51 6.144 -10.961 -22.506 1.00 24.53 H new ATOM 0 HG21 THR A 51 4.750 -9.127 -20.286 1.00 11.33 H new ATOM 0 HG22 THR A 51 5.003 -7.483 -20.916 1.00 11.33 H new ATOM 0 HG23 THR A 51 3.709 -8.503 -21.588 1.00 11.33 H new ATOM 642 N ARG A 52 4.739 -6.015 -22.946 1.00 41.31 N ATOM 643 CA ARG A 52 4.777 -4.605 -22.577 1.00 41.33 C ATOM 644 C ARG A 52 3.842 -4.324 -21.404 1.00 64.23 C ATOM 645 O ARG A 52 2.989 -5.145 -21.067 1.00 34.33 O ATOM 646 CB ARG A 52 4.389 -3.732 -23.773 1.00 32.35 C ATOM 647 CG ARG A 52 4.876 -2.297 -23.662 1.00 53.34 C ATOM 648 CD ARG A 52 4.949 -1.627 -25.026 1.00 22.22 C ATOM 649 NE ARG A 52 4.003 -0.521 -25.144 1.00 5.31 N ATOM 650 CZ ARG A 52 3.736 0.099 -26.288 1.00 63.22 C ATOM 651 NH1 ARG A 52 4.340 -0.278 -27.407 1.00 20.52 N ATOM 652 NH2 ARG A 52 2.863 1.098 -26.315 1.00 62.43 N ATOM 0 H ARG A 52 3.800 -6.394 -23.068 1.00 41.31 H new ATOM 0 HA ARG A 52 5.795 -4.362 -22.274 1.00 41.33 H new ATOM 0 HB2 ARG A 52 4.795 -4.175 -24.682 1.00 32.35 H new ATOM 0 HB3 ARG A 52 3.304 -3.732 -23.875 1.00 32.35 H new ATOM 0 HG2 ARG A 52 4.205 -1.733 -23.014 1.00 53.34 H new ATOM 0 HG3 ARG A 52 5.860 -2.281 -23.194 1.00 53.34 H new ATOM 0 HD2 ARG A 52 5.961 -1.258 -25.195 1.00 22.22 H new ATOM 0 HD3 ARG A 52 4.744 -2.364 -25.803 1.00 22.22 H new ATOM 0 HE ARG A 52 3.521 -0.207 -24.302 1.00 5.31 H new ATOM 0 HH11 ARG A 52 5.011 -1.046 -27.390 1.00 20.52 H new ATOM 0 HH12 ARG A 52 4.133 0.200 -28.284 1.00 20.52 H new ATOM 0 HH21 ARG A 52 2.396 1.391 -25.457 1.00 62.43 H new ATOM 0 HH22 ARG A 52 2.659 1.573 -27.194 1.00 62.43 H new ATOM 666 N LEU A 53 4.010 -3.160 -20.786 1.00 70.25 N ATOM 667 CA LEU A 53 3.182 -2.771 -19.650 1.00 52.23 C ATOM 668 C LEU A 53 2.620 -1.366 -19.842 1.00 3.40 C ATOM 669 O LEU A 53 3.346 -0.438 -20.202 1.00 63.44 O ATOM 670 CB LEU A 53 3.994 -2.836 -18.356 1.00 2.41 C ATOM 671 CG LEU A 53 3.512 -1.939 -17.215 1.00 34.31 C ATOM 672 CD1 LEU A 53 2.075 -2.274 -16.844 1.00 40.24 C ATOM 673 CD2 LEU A 53 4.423 -2.079 -16.004 1.00 60.54 C ATOM 0 H LEU A 53 4.712 -2.469 -21.052 1.00 70.25 H new ATOM 0 HA LEU A 53 2.348 -3.470 -19.583 1.00 52.23 H new ATOM 0 HB2 LEU A 53 3.997 -3.868 -18.004 1.00 2.41 H new ATOM 0 HB3 LEU A 53 5.027 -2.575 -18.585 1.00 2.41 H new ATOM 0 HG LEU A 53 3.547 -0.903 -17.553 1.00 34.31 H new ATOM 0 HD11 LEU A 53 1.749 -1.626 -16.031 1.00 40.24 H new ATOM 0 HD12 LEU A 53 1.431 -2.122 -17.710 1.00 40.24 H new ATOM 0 HD13 LEU A 53 2.015 -3.315 -16.525 1.00 40.24 H new ATOM 0 HD21 LEU A 53 4.064 -1.433 -15.202 1.00 60.54 H new ATOM 0 HD22 LEU A 53 4.420 -3.115 -15.664 1.00 60.54 H new ATOM 0 HD23 LEU A 53 5.438 -1.789 -16.277 1.00 60.54 H new ATOM 685 N THR A 54 1.323 -1.214 -19.597 1.00 15.24 N ATOM 686 CA THR A 54 0.663 0.078 -19.741 1.00 4.01 C ATOM 687 C THR A 54 -0.103 0.449 -18.476 1.00 71.54 C ATOM 688 O THR A 54 -0.708 -0.409 -17.832 1.00 5.34 O ATOM 689 CB THR A 54 -0.308 0.083 -20.936 1.00 70.33 C ATOM 690 OG1 THR A 54 -0.839 -1.231 -21.141 1.00 64.45 O ATOM 691 CG2 THR A 54 0.393 0.555 -22.201 1.00 54.41 C ATOM 0 H THR A 54 0.708 -1.970 -19.298 1.00 15.24 H new ATOM 0 HA THR A 54 1.447 0.815 -19.917 1.00 4.01 H new ATOM 0 HB THR A 54 -1.122 0.773 -20.712 1.00 70.33 H new ATOM 0 HG1 THR A 54 -1.457 -1.219 -21.902 1.00 64.45 H new ATOM 0 HG21 THR A 54 -0.313 0.550 -23.032 1.00 54.41 H new ATOM 0 HG22 THR A 54 0.771 1.567 -22.052 1.00 54.41 H new ATOM 0 HG23 THR A 54 1.224 -0.113 -22.427 1.00 54.41 H new ATOM 699 N TYR A 55 -0.075 1.730 -18.127 1.00 63.22 N ATOM 700 CA TYR A 55 -0.766 2.213 -16.938 1.00 10.40 C ATOM 701 C TYR A 55 -1.692 3.376 -17.281 1.00 50.21 C ATOM 702 O TYR A 55 -1.276 4.355 -17.901 1.00 1.42 O ATOM 703 CB TYR A 55 0.245 2.648 -15.876 1.00 44.41 C ATOM 704 CG TYR A 55 -0.377 3.388 -14.714 1.00 35.04 C ATOM 705 CD1 TYR A 55 -1.489 2.878 -14.055 1.00 73.52 C ATOM 706 CD2 TYR A 55 0.147 4.597 -14.273 1.00 51.01 C ATOM 707 CE1 TYR A 55 -2.062 3.550 -12.993 1.00 41.43 C ATOM 708 CE2 TYR A 55 -0.418 5.276 -13.211 1.00 53.10 C ATOM 709 CZ TYR A 55 -1.523 4.749 -12.575 1.00 22.02 C ATOM 710 OH TYR A 55 -2.089 5.422 -11.516 1.00 74.54 O ATOM 0 H TYR A 55 0.419 2.453 -18.651 1.00 63.22 H new ATOM 0 HA TYR A 55 -1.369 1.396 -16.543 1.00 10.40 H new ATOM 0 HB2 TYR A 55 0.764 1.767 -15.499 1.00 44.41 H new ATOM 0 HB3 TYR A 55 0.996 3.286 -16.342 1.00 44.41 H new ATOM 0 HD1 TYR A 55 -1.913 1.939 -14.379 1.00 73.52 H new ATOM 0 HD2 TYR A 55 1.011 5.013 -14.769 1.00 51.01 H new ATOM 0 HE1 TYR A 55 -2.927 3.139 -12.493 1.00 41.43 H new ATOM 0 HE2 TYR A 55 0.003 6.214 -12.880 1.00 53.10 H new ATOM 0 HH TYR A 55 -1.589 6.248 -11.348 1.00 74.54 H new ATOM 720 N LYS A 56 -2.951 3.261 -16.873 1.00 13.40 N ATOM 721 CA LYS A 56 -3.939 4.302 -17.134 1.00 4.21 C ATOM 722 C LYS A 56 -4.027 4.606 -18.626 1.00 11.41 C ATOM 723 O LYS A 56 -4.267 5.746 -19.024 1.00 21.42 O ATOM 724 CB LYS A 56 -3.583 5.576 -16.363 1.00 73.41 C ATOM 725 CG LYS A 56 -4.782 6.460 -16.064 1.00 25.33 C ATOM 726 CD LYS A 56 -4.431 7.933 -16.185 1.00 14.33 C ATOM 727 CE LYS A 56 -4.770 8.475 -17.565 1.00 11.10 C ATOM 728 NZ LYS A 56 -3.555 8.643 -18.409 1.00 5.24 N ATOM 0 H LYS A 56 -3.312 2.457 -16.360 1.00 13.40 H new ATOM 0 HA LYS A 56 -4.910 3.940 -16.797 1.00 4.21 H new ATOM 0 HB2 LYS A 56 -3.102 5.300 -15.424 1.00 73.41 H new ATOM 0 HB3 LYS A 56 -2.855 6.148 -16.938 1.00 73.41 H new ATOM 0 HG2 LYS A 56 -5.593 6.220 -16.752 1.00 25.33 H new ATOM 0 HG3 LYS A 56 -5.146 6.253 -15.058 1.00 25.33 H new ATOM 0 HD2 LYS A 56 -4.971 8.500 -15.427 1.00 14.33 H new ATOM 0 HD3 LYS A 56 -3.368 8.072 -15.989 1.00 14.33 H new ATOM 0 HE2 LYS A 56 -5.465 7.797 -18.060 1.00 11.10 H new ATOM 0 HE3 LYS A 56 -5.277 9.434 -17.464 1.00 11.10 H new ATOM 0 HZ1 LYS A 56 -3.743 9.346 -19.152 1.00 5.24 H new ATOM 0 HZ2 LYS A 56 -2.764 8.968 -17.818 1.00 5.24 H new ATOM 0 HZ3 LYS A 56 -3.308 7.733 -18.848 1.00 5.24 H new ATOM 742 N GLY A 57 -3.833 3.579 -19.448 1.00 13.05 N ATOM 743 CA GLY A 57 -3.897 3.758 -20.886 1.00 61.43 C ATOM 744 C GLY A 57 -2.710 4.530 -21.428 1.00 14.44 C ATOM 745 O GLY A 57 -2.733 4.998 -22.566 1.00 63.54 O ATOM 0 H GLY A 57 -3.633 2.626 -19.143 1.00 13.05 H new ATOM 0 HA2 GLY A 57 -3.943 2.782 -21.369 1.00 61.43 H new ATOM 0 HA3 GLY A 57 -4.816 4.284 -21.143 1.00 61.43 H new ATOM 749 N ARG A 58 -1.672 4.667 -20.609 1.00 51.04 N ATOM 750 CA ARG A 58 -0.473 5.391 -21.012 1.00 5.33 C ATOM 751 C ARG A 58 0.754 4.486 -20.955 1.00 21.50 C ATOM 752 O ARG A 58 0.827 3.573 -20.133 1.00 34.04 O ATOM 753 CB ARG A 58 -0.261 6.611 -20.112 1.00 74.42 C ATOM 754 CG ARG A 58 -0.196 7.925 -20.873 1.00 63.30 C ATOM 755 CD ARG A 58 0.870 8.847 -20.301 1.00 71.33 C ATOM 756 NE ARG A 58 0.382 10.214 -20.142 1.00 3.13 N ATOM 757 CZ ARG A 58 1.180 11.267 -20.003 1.00 12.23 C ATOM 758 NH1 ARG A 58 2.496 11.111 -20.004 1.00 64.32 N ATOM 759 NH2 ARG A 58 0.661 12.480 -19.862 1.00 54.23 N ATOM 0 H ARG A 58 -1.638 4.286 -19.663 1.00 51.04 H new ATOM 0 HA ARG A 58 -0.610 5.725 -22.040 1.00 5.33 H new ATOM 0 HB2 ARG A 58 -1.072 6.661 -19.386 1.00 74.42 H new ATOM 0 HB3 ARG A 58 0.663 6.481 -19.549 1.00 74.42 H new ATOM 0 HG2 ARG A 58 0.017 7.728 -21.924 1.00 63.30 H new ATOM 0 HG3 ARG A 58 -1.167 8.419 -20.832 1.00 63.30 H new ATOM 0 HD2 ARG A 58 1.200 8.465 -19.335 1.00 71.33 H new ATOM 0 HD3 ARG A 58 1.740 8.847 -20.958 1.00 71.33 H new ATOM 0 HE ARG A 58 -0.626 10.369 -20.137 1.00 3.13 H new ATOM 0 HH11 ARG A 58 2.899 10.180 -20.112 1.00 64.32 H new ATOM 0 HH12 ARG A 58 3.106 11.922 -19.897 1.00 64.32 H new ATOM 0 HH21 ARG A 58 -0.351 12.605 -19.860 1.00 54.23 H new ATOM 0 HH22 ARG A 58 1.274 13.288 -19.755 1.00 54.23 H new ATOM 773 N ALA A 59 1.716 4.744 -21.835 1.00 54.42 N ATOM 774 CA ALA A 59 2.939 3.954 -21.884 1.00 63.04 C ATOM 775 C ALA A 59 4.089 4.679 -21.193 1.00 62.23 C ATOM 776 O ALA A 59 4.467 5.783 -21.588 1.00 24.32 O ATOM 777 CB ALA A 59 3.304 3.636 -23.327 1.00 24.43 C ATOM 0 H ALA A 59 1.671 5.495 -22.524 1.00 54.42 H new ATOM 0 HA ALA A 59 2.761 3.020 -21.351 1.00 63.04 H new ATOM 0 HB1 ALA A 59 4.220 3.045 -23.349 1.00 24.43 H new ATOM 0 HB2 ALA A 59 2.496 3.070 -23.790 1.00 24.43 H new ATOM 0 HB3 ALA A 59 3.458 4.565 -23.876 1.00 24.43 H new ATOM 783 N LEU A 60 4.641 4.052 -20.160 1.00 44.41 N ATOM 784 CA LEU A 60 5.749 4.638 -19.413 1.00 12.51 C ATOM 785 C LEU A 60 7.010 3.793 -19.556 1.00 42.12 C ATOM 786 O LEU A 60 6.939 2.589 -19.803 1.00 23.11 O ATOM 787 CB LEU A 60 5.377 4.774 -17.935 1.00 44.52 C ATOM 788 CG LEU A 60 4.124 5.595 -17.631 1.00 13.30 C ATOM 789 CD1 LEU A 60 3.053 4.720 -16.998 1.00 3.04 C ATOM 790 CD2 LEU A 60 4.462 6.769 -16.723 1.00 72.30 C ATOM 0 H LEU A 60 4.340 3.138 -19.821 1.00 44.41 H new ATOM 0 HA LEU A 60 5.949 5.627 -19.824 1.00 12.51 H new ATOM 0 HB2 LEU A 60 5.241 3.775 -17.522 1.00 44.52 H new ATOM 0 HB3 LEU A 60 6.219 5.225 -17.409 1.00 44.52 H new ATOM 0 HG LEU A 60 3.734 5.989 -18.570 1.00 13.30 H new ATOM 0 HD11 LEU A 60 2.169 5.322 -16.789 1.00 3.04 H new ATOM 0 HD12 LEU A 60 2.790 3.914 -17.683 1.00 3.04 H new ATOM 0 HD13 LEU A 60 3.432 4.296 -16.068 1.00 3.04 H new ATOM 0 HD21 LEU A 60 3.558 7.342 -16.517 1.00 72.30 H new ATOM 0 HD22 LEU A 60 4.877 6.397 -15.786 1.00 72.30 H new ATOM 0 HD23 LEU A 60 5.194 7.410 -17.214 1.00 72.30 H new ATOM 802 N LYS A 61 8.165 4.431 -19.398 1.00 51.10 N ATOM 803 CA LYS A 61 9.443 3.738 -19.506 1.00 44.40 C ATOM 804 C LYS A 61 10.575 4.595 -18.948 1.00 44.54 C ATOM 805 O LYS A 61 11.060 4.357 -17.842 1.00 63.13 O ATOM 806 CB LYS A 61 9.732 3.381 -20.966 1.00 14.21 C ATOM 807 CG LYS A 61 11.120 2.807 -21.189 1.00 1.30 C ATOM 808 CD LYS A 61 11.213 2.071 -22.515 1.00 51.42 C ATOM 809 CE LYS A 61 10.534 0.712 -22.447 1.00 24.22 C ATOM 810 NZ LYS A 61 11.260 -0.311 -23.249 1.00 63.34 N ATOM 0 H LYS A 61 8.242 5.428 -19.195 1.00 51.10 H new ATOM 0 HA LYS A 61 9.381 2.821 -18.920 1.00 44.40 H new ATOM 0 HB2 LYS A 61 8.990 2.659 -21.308 1.00 14.21 H new ATOM 0 HB3 LYS A 61 9.615 4.274 -21.580 1.00 14.21 H new ATOM 0 HG2 LYS A 61 11.855 3.611 -21.166 1.00 1.30 H new ATOM 0 HG3 LYS A 61 11.368 2.125 -20.375 1.00 1.30 H new ATOM 0 HD2 LYS A 61 10.751 2.671 -23.299 1.00 51.42 H new ATOM 0 HD3 LYS A 61 12.260 1.942 -22.788 1.00 51.42 H new ATOM 0 HE2 LYS A 61 10.477 0.386 -21.408 1.00 24.22 H new ATOM 0 HE3 LYS A 61 9.510 0.799 -22.810 1.00 24.22 H new ATOM 0 HZ1 LYS A 61 10.612 -1.088 -23.490 1.00 63.34 H new ATOM 0 HZ2 LYS A 61 11.619 0.124 -24.123 1.00 63.34 H new ATOM 0 HZ3 LYS A 61 12.057 -0.685 -22.695 1.00 63.34 H new ATOM 824 N ASP A 62 10.990 5.594 -19.720 1.00 64.11 N ATOM 825 CA ASP A 62 12.064 6.488 -19.302 1.00 13.32 C ATOM 826 C ASP A 62 11.565 7.485 -18.260 1.00 44.11 C ATOM 827 O ASP A 62 12.344 8.258 -17.701 1.00 45.24 O ATOM 828 CB ASP A 62 12.634 7.235 -20.509 1.00 14.12 C ATOM 829 CG ASP A 62 11.613 8.149 -21.159 1.00 63.40 C ATOM 830 OD1 ASP A 62 10.527 7.656 -21.528 1.00 52.31 O ATOM 831 OD2 ASP A 62 11.902 9.356 -21.300 1.00 35.23 O ATOM 0 H ASP A 62 10.599 5.805 -20.638 1.00 64.11 H new ATOM 0 HA ASP A 62 12.853 5.884 -18.853 1.00 13.32 H new ATOM 0 HB2 ASP A 62 13.496 7.823 -20.195 1.00 14.12 H new ATOM 0 HB3 ASP A 62 12.991 6.513 -21.244 1.00 14.12 H new ATOM 836 N THR A 63 10.261 7.463 -18.003 1.00 41.04 N ATOM 837 CA THR A 63 9.658 8.366 -17.031 1.00 61.31 C ATOM 838 C THR A 63 10.261 8.164 -15.646 1.00 4.23 C ATOM 839 O THR A 63 10.151 9.031 -14.779 1.00 73.41 O ATOM 840 CB THR A 63 8.133 8.165 -16.949 1.00 1.15 C ATOM 841 OG1 THR A 63 7.837 6.840 -16.493 1.00 2.22 O ATOM 842 CG2 THR A 63 7.483 8.398 -18.304 1.00 35.32 C ATOM 0 H THR A 63 9.602 6.829 -18.455 1.00 41.04 H new ATOM 0 HA THR A 63 9.866 9.381 -17.370 1.00 61.31 H new ATOM 0 HB THR A 63 7.731 8.890 -16.242 1.00 1.15 H new ATOM 0 HG1 THR A 63 7.083 6.870 -15.868 1.00 2.22 H new ATOM 0 HG21 THR A 63 6.406 8.250 -18.221 1.00 35.32 H new ATOM 0 HG22 THR A 63 7.685 9.417 -18.634 1.00 35.32 H new ATOM 0 HG23 THR A 63 7.891 7.694 -19.029 1.00 35.32 H new ATOM 850 N GLU A 64 10.900 7.016 -15.445 1.00 22.32 N ATOM 851 CA GLU A 64 11.521 6.702 -14.163 1.00 70.23 C ATOM 852 C GLU A 64 10.476 6.642 -13.053 1.00 21.13 C ATOM 853 O GLU A 64 9.993 5.567 -12.695 1.00 62.13 O ATOM 854 CB GLU A 64 12.588 7.743 -13.819 1.00 53.53 C ATOM 855 CG GLU A 64 13.171 7.580 -12.426 1.00 12.33 C ATOM 856 CD GLU A 64 14.437 8.390 -12.225 1.00 11.24 C ATOM 857 OE1 GLU A 64 15.415 8.154 -12.964 1.00 24.41 O ATOM 858 OE2 GLU A 64 14.450 9.260 -11.329 1.00 33.34 O ATOM 0 H GLU A 64 11.001 6.288 -16.153 1.00 22.32 H new ATOM 0 HA GLU A 64 11.993 5.723 -14.247 1.00 70.23 H new ATOM 0 HB2 GLU A 64 13.394 7.680 -14.550 1.00 53.53 H new ATOM 0 HB3 GLU A 64 12.154 8.739 -13.908 1.00 53.53 H new ATOM 0 HG2 GLU A 64 12.429 7.884 -11.688 1.00 12.33 H new ATOM 0 HG3 GLU A 64 13.386 6.526 -12.247 1.00 12.33 H new ATOM 865 N THR A 65 10.131 7.805 -12.509 1.00 43.22 N ATOM 866 CA THR A 65 9.146 7.886 -11.439 1.00 12.45 C ATOM 867 C THR A 65 7.764 8.222 -11.987 1.00 50.54 C ATOM 868 O THR A 65 7.637 8.793 -13.072 1.00 3.23 O ATOM 869 CB THR A 65 9.541 8.944 -10.391 1.00 14.14 C ATOM 870 OG1 THR A 65 9.625 10.235 -11.005 1.00 64.31 O ATOM 871 CG2 THR A 65 10.873 8.595 -9.745 1.00 45.55 C ATOM 0 H THR A 65 10.520 8.704 -12.793 1.00 43.22 H new ATOM 0 HA THR A 65 9.116 6.906 -10.963 1.00 12.45 H new ATOM 0 HB THR A 65 8.774 8.961 -9.617 1.00 14.14 H new ATOM 0 HG1 THR A 65 9.875 10.902 -10.332 1.00 64.31 H new ATOM 0 HG21 THR A 65 11.131 9.356 -9.009 1.00 45.55 H new ATOM 0 HG22 THR A 65 10.796 7.626 -9.253 1.00 45.55 H new ATOM 0 HG23 THR A 65 11.648 8.553 -10.510 1.00 45.55 H new ATOM 879 N LEU A 66 6.730 7.866 -11.233 1.00 3.30 N ATOM 880 CA LEU A 66 5.356 8.131 -11.644 1.00 12.10 C ATOM 881 C LEU A 66 4.676 9.098 -10.680 1.00 32.23 C ATOM 882 O LEU A 66 3.660 9.707 -11.011 1.00 53.33 O ATOM 883 CB LEU A 66 4.564 6.824 -11.717 1.00 52.53 C ATOM 884 CG LEU A 66 3.775 6.589 -13.006 1.00 0.21 C ATOM 885 CD1 LEU A 66 3.653 5.101 -13.293 1.00 34.34 C ATOM 886 CD2 LEU A 66 2.399 7.231 -12.913 1.00 55.44 C ATOM 0 H LEU A 66 6.817 7.393 -10.334 1.00 3.30 H new ATOM 0 HA LEU A 66 5.380 8.590 -12.632 1.00 12.10 H new ATOM 0 HB2 LEU A 66 5.258 5.994 -11.583 1.00 52.53 H new ATOM 0 HB3 LEU A 66 3.868 6.797 -10.878 1.00 52.53 H new ATOM 0 HG LEU A 66 4.316 7.054 -13.831 1.00 0.21 H new ATOM 0 HD11 LEU A 66 3.089 4.953 -14.214 1.00 34.34 H new ATOM 0 HD12 LEU A 66 4.648 4.669 -13.404 1.00 34.34 H new ATOM 0 HD13 LEU A 66 3.135 4.613 -12.468 1.00 34.34 H new ATOM 0 HD21 LEU A 66 1.852 7.054 -13.839 1.00 55.44 H new ATOM 0 HD22 LEU A 66 1.850 6.796 -12.078 1.00 55.44 H new ATOM 0 HD23 LEU A 66 2.508 8.304 -12.756 1.00 55.44 H new ATOM 898 N GLU A 67 5.245 9.234 -9.486 1.00 63.32 N ATOM 899 CA GLU A 67 4.694 10.128 -8.475 1.00 31.22 C ATOM 900 C GLU A 67 4.621 11.560 -8.996 1.00 74.05 C ATOM 901 O GLU A 67 3.674 12.291 -8.704 1.00 60.44 O ATOM 902 CB GLU A 67 5.542 10.080 -7.202 1.00 64.44 C ATOM 903 CG GLU A 67 4.733 10.225 -5.925 1.00 34.40 C ATOM 904 CD GLU A 67 5.599 10.519 -4.715 1.00 74.35 C ATOM 905 OE1 GLU A 67 6.084 9.555 -4.086 1.00 13.43 O ATOM 906 OE2 GLU A 67 5.791 11.711 -4.399 1.00 20.05 O ATOM 0 H GLU A 67 6.087 8.737 -9.196 1.00 63.32 H new ATOM 0 HA GLU A 67 3.683 9.792 -8.243 1.00 31.22 H new ATOM 0 HB2 GLU A 67 6.085 9.135 -7.173 1.00 64.44 H new ATOM 0 HB3 GLU A 67 6.287 10.875 -7.242 1.00 64.44 H new ATOM 0 HG2 GLU A 67 4.005 11.027 -6.050 1.00 34.40 H new ATOM 0 HG3 GLU A 67 4.170 9.308 -5.750 1.00 34.40 H new ATOM 913 N SER A 68 5.627 11.954 -9.770 1.00 3.12 N ATOM 914 CA SER A 68 5.680 13.300 -10.329 1.00 62.31 C ATOM 915 C SER A 68 4.522 13.533 -11.295 1.00 21.44 C ATOM 916 O SER A 68 4.207 14.672 -11.641 1.00 74.20 O ATOM 917 CB SER A 68 7.012 13.524 -11.048 1.00 73.04 C ATOM 918 OG SER A 68 7.005 14.747 -11.765 1.00 32.34 O ATOM 0 H SER A 68 6.416 11.360 -10.024 1.00 3.12 H new ATOM 0 HA SER A 68 5.594 14.012 -9.508 1.00 62.31 H new ATOM 0 HB2 SER A 68 7.825 13.529 -10.322 1.00 73.04 H new ATOM 0 HB3 SER A 68 7.202 12.698 -11.733 1.00 73.04 H new ATOM 0 HG SER A 68 7.868 14.868 -12.214 1.00 32.34 H new ATOM 924 N LEU A 69 3.892 12.446 -11.726 1.00 21.52 N ATOM 925 CA LEU A 69 2.768 12.529 -12.652 1.00 0.32 C ATOM 926 C LEU A 69 1.441 12.415 -11.909 1.00 13.51 C ATOM 927 O LEU A 69 0.382 12.717 -12.458 1.00 42.43 O ATOM 928 CB LEU A 69 2.870 11.429 -13.709 1.00 73.42 C ATOM 929 CG LEU A 69 3.714 11.757 -14.941 1.00 22.12 C ATOM 930 CD1 LEU A 69 5.087 12.265 -14.527 1.00 73.10 C ATOM 931 CD2 LEU A 69 3.844 10.536 -15.839 1.00 61.35 C ATOM 0 H LEU A 69 4.140 11.496 -11.449 1.00 21.52 H new ATOM 0 HA LEU A 69 2.805 13.501 -13.144 1.00 0.32 H new ATOM 0 HB2 LEU A 69 3.283 10.537 -13.238 1.00 73.42 H new ATOM 0 HB3 LEU A 69 1.863 11.177 -14.040 1.00 73.42 H new ATOM 0 HG LEU A 69 3.212 12.544 -15.503 1.00 22.12 H new ATOM 0 HD11 LEU A 69 5.674 12.493 -15.417 1.00 73.10 H new ATOM 0 HD12 LEU A 69 4.975 13.167 -13.925 1.00 73.10 H new ATOM 0 HD13 LEU A 69 5.597 11.499 -13.942 1.00 73.10 H new ATOM 0 HD21 LEU A 69 4.448 10.788 -16.711 1.00 61.35 H new ATOM 0 HD22 LEU A 69 4.324 9.728 -15.287 1.00 61.35 H new ATOM 0 HD23 LEU A 69 2.854 10.216 -16.164 1.00 61.35 H new ATOM 943 N GLY A 70 1.506 11.979 -10.654 1.00 51.44 N ATOM 944 CA GLY A 70 0.303 11.836 -9.856 1.00 31.44 C ATOM 945 C GLY A 70 -0.162 10.396 -9.761 1.00 61.14 C ATOM 946 O GLY A 70 -1.301 10.079 -10.106 1.00 45.54 O ATOM 0 H GLY A 70 2.370 11.723 -10.177 1.00 51.44 H new ATOM 0 HA2 GLY A 70 0.488 12.222 -8.853 1.00 31.44 H new ATOM 0 HA3 GLY A 70 -0.491 12.443 -10.290 1.00 31.44 H new ATOM 950 N VAL A 71 0.722 9.520 -9.294 1.00 71.43 N ATOM 951 CA VAL A 71 0.396 8.105 -9.156 1.00 45.14 C ATOM 952 C VAL A 71 -0.156 7.801 -7.768 1.00 44.12 C ATOM 953 O VAL A 71 0.308 8.352 -6.770 1.00 53.44 O ATOM 954 CB VAL A 71 1.629 7.218 -9.412 1.00 43.01 C ATOM 955 CG1 VAL A 71 2.662 7.409 -8.312 1.00 20.43 C ATOM 956 CG2 VAL A 71 1.220 5.757 -9.523 1.00 41.14 C ATOM 0 H VAL A 71 1.669 9.765 -9.005 1.00 71.43 H new ATOM 0 HA VAL A 71 -0.365 7.881 -9.903 1.00 45.14 H new ATOM 0 HB VAL A 71 2.081 7.518 -10.357 1.00 43.01 H new ATOM 0 HG11 VAL A 71 3.526 6.774 -8.510 1.00 20.43 H new ATOM 0 HG12 VAL A 71 2.977 8.452 -8.286 1.00 20.43 H new ATOM 0 HG13 VAL A 71 2.225 7.137 -7.351 1.00 20.43 H new ATOM 0 HG21 VAL A 71 2.103 5.145 -9.704 1.00 41.14 H new ATOM 0 HG22 VAL A 71 0.743 5.441 -8.595 1.00 41.14 H new ATOM 0 HG23 VAL A 71 0.520 5.637 -10.350 1.00 41.14 H new ATOM 966 N ALA A 72 -1.149 6.919 -7.712 1.00 44.54 N ATOM 967 CA ALA A 72 -1.763 6.540 -6.446 1.00 64.32 C ATOM 968 C ALA A 72 -1.579 5.051 -6.172 1.00 21.03 C ATOM 969 O ALA A 72 -1.549 4.239 -7.096 1.00 75.43 O ATOM 970 CB ALA A 72 -3.241 6.900 -6.448 1.00 20.44 C ATOM 0 H ALA A 72 -1.545 6.454 -8.529 1.00 44.54 H new ATOM 0 HA ALA A 72 -1.267 7.094 -5.649 1.00 64.32 H new ATOM 0 HB1 ALA A 72 -3.687 6.611 -5.496 1.00 20.44 H new ATOM 0 HB2 ALA A 72 -3.353 7.975 -6.590 1.00 20.44 H new ATOM 0 HB3 ALA A 72 -3.743 6.372 -7.259 1.00 20.44 H new ATOM 976 N ASP A 73 -1.455 4.700 -4.896 1.00 52.34 N ATOM 977 CA ASP A 73 -1.275 3.308 -4.500 1.00 45.52 C ATOM 978 C ASP A 73 -2.589 2.541 -4.597 1.00 33.11 C ATOM 979 O ASP A 73 -3.590 2.926 -3.994 1.00 73.21 O ATOM 980 CB ASP A 73 -0.727 3.229 -3.074 1.00 62.24 C ATOM 981 CG ASP A 73 -1.674 3.831 -2.056 1.00 34.13 C ATOM 982 OD1 ASP A 73 -1.778 5.075 -2.003 1.00 63.44 O ATOM 983 OD2 ASP A 73 -2.313 3.059 -1.311 1.00 73.52 O ATOM 0 H ASP A 73 -1.476 5.360 -4.119 1.00 52.34 H new ATOM 0 HA ASP A 73 -0.558 2.851 -5.182 1.00 45.52 H new ATOM 0 HB2 ASP A 73 -0.538 2.187 -2.818 1.00 62.24 H new ATOM 0 HB3 ASP A 73 0.230 3.748 -3.027 1.00 62.24 H new ATOM 988 N GLY A 74 -2.579 1.453 -5.361 1.00 60.21 N ATOM 989 CA GLY A 74 -3.776 0.649 -5.524 1.00 14.21 C ATOM 990 C GLY A 74 -4.383 0.786 -6.906 1.00 64.35 C ATOM 991 O GLY A 74 -5.598 0.682 -7.072 1.00 32.13 O ATOM 0 H GLY A 74 -1.763 1.114 -5.870 1.00 60.21 H new ATOM 0 HA2 GLY A 74 -3.535 -0.398 -5.339 1.00 14.21 H new ATOM 0 HA3 GLY A 74 -4.512 0.944 -4.776 1.00 14.21 H new ATOM 995 N ASP A 75 -3.535 1.021 -7.902 1.00 22.52 N ATOM 996 CA ASP A 75 -3.994 1.172 -9.278 1.00 10.34 C ATOM 997 C ASP A 75 -4.035 -0.177 -9.989 1.00 12.33 C ATOM 998 O ASP A 75 -3.717 -1.211 -9.401 1.00 0.31 O ATOM 999 CB ASP A 75 -3.082 2.136 -10.039 1.00 15.33 C ATOM 1000 CG ASP A 75 -3.672 3.529 -10.143 1.00 44.24 C ATOM 1001 OD1 ASP A 75 -4.564 3.733 -10.993 1.00 1.34 O ATOM 1002 OD2 ASP A 75 -3.240 4.416 -9.377 1.00 23.34 O ATOM 0 H ASP A 75 -2.526 1.111 -7.782 1.00 22.52 H new ATOM 0 HA ASP A 75 -5.004 1.581 -9.255 1.00 10.34 H new ATOM 0 HB2 ASP A 75 -2.116 2.190 -9.537 1.00 15.33 H new ATOM 0 HB3 ASP A 75 -2.900 1.746 -11.040 1.00 15.33 H new ATOM 1007 N LYS A 76 -4.430 -0.159 -11.257 1.00 75.31 N ATOM 1008 CA LYS A 76 -4.514 -1.380 -12.050 1.00 22.22 C ATOM 1009 C LYS A 76 -3.659 -1.271 -13.309 1.00 14.13 C ATOM 1010 O LYS A 76 -3.764 -0.301 -14.060 1.00 32.11 O ATOM 1011 CB LYS A 76 -5.968 -1.667 -12.431 1.00 20.11 C ATOM 1012 CG LYS A 76 -6.821 -2.137 -11.265 1.00 62.13 C ATOM 1013 CD LYS A 76 -8.285 -2.247 -11.655 1.00 34.33 C ATOM 1014 CE LYS A 76 -9.166 -1.388 -10.760 1.00 71.42 C ATOM 1015 NZ LYS A 76 -10.400 -0.939 -11.463 1.00 45.22 N ATOM 0 H LYS A 76 -4.697 0.688 -11.758 1.00 75.31 H new ATOM 0 HA LYS A 76 -4.135 -2.203 -11.445 1.00 22.22 H new ATOM 0 HB2 LYS A 76 -6.409 -0.764 -12.852 1.00 20.11 H new ATOM 0 HB3 LYS A 76 -5.987 -2.426 -13.213 1.00 20.11 H new ATOM 0 HG2 LYS A 76 -6.462 -3.106 -10.918 1.00 62.13 H new ATOM 0 HG3 LYS A 76 -6.716 -1.441 -10.433 1.00 62.13 H new ATOM 0 HD2 LYS A 76 -8.410 -1.940 -12.693 1.00 34.33 H new ATOM 0 HD3 LYS A 76 -8.603 -3.288 -11.590 1.00 34.33 H new ATOM 0 HE2 LYS A 76 -9.441 -1.954 -9.870 1.00 71.42 H new ATOM 0 HE3 LYS A 76 -8.603 -0.518 -10.423 1.00 71.42 H new ATOM 0 HZ1 LYS A 76 -10.973 -0.357 -10.820 1.00 45.22 H new ATOM 0 HZ2 LYS A 76 -10.139 -0.378 -12.299 1.00 45.22 H new ATOM 0 HZ3 LYS A 76 -10.951 -1.769 -11.762 1.00 45.22 H new ATOM 1029 N PHE A 77 -2.815 -2.272 -13.534 1.00 71.10 N ATOM 1030 CA PHE A 77 -1.943 -2.288 -14.703 1.00 21.34 C ATOM 1031 C PHE A 77 -2.359 -3.387 -15.677 1.00 11.34 C ATOM 1032 O PHE A 77 -2.897 -4.418 -15.274 1.00 33.11 O ATOM 1033 CB PHE A 77 -0.488 -2.493 -14.277 1.00 22.44 C ATOM 1034 CG PHE A 77 0.064 -1.359 -13.461 1.00 52.14 C ATOM 1035 CD1 PHE A 77 -0.311 -1.193 -12.138 1.00 20.33 C ATOM 1036 CD2 PHE A 77 0.957 -0.458 -14.018 1.00 63.34 C ATOM 1037 CE1 PHE A 77 0.195 -0.150 -11.386 1.00 15.33 C ATOM 1038 CE2 PHE A 77 1.466 0.587 -13.271 1.00 45.11 C ATOM 1039 CZ PHE A 77 1.085 0.741 -11.953 1.00 22.13 C ATOM 0 H PHE A 77 -2.716 -3.083 -12.923 1.00 71.10 H new ATOM 0 HA PHE A 77 -2.035 -1.326 -15.207 1.00 21.34 H new ATOM 0 HB2 PHE A 77 -0.413 -3.415 -13.700 1.00 22.44 H new ATOM 0 HB3 PHE A 77 0.128 -2.623 -15.167 1.00 22.44 H new ATOM 0 HD1 PHE A 77 -1.007 -1.887 -11.689 1.00 20.33 H new ATOM 0 HD2 PHE A 77 1.259 -0.574 -15.048 1.00 63.34 H new ATOM 0 HE1 PHE A 77 -0.105 -0.032 -10.355 1.00 15.33 H new ATOM 0 HE2 PHE A 77 2.161 1.283 -13.718 1.00 45.11 H new ATOM 0 HZ PHE A 77 1.482 1.556 -11.367 1.00 22.13 H new ATOM 1049 N VAL A 78 -2.106 -3.157 -16.961 1.00 74.13 N ATOM 1050 CA VAL A 78 -2.454 -4.126 -17.994 1.00 23.11 C ATOM 1051 C VAL A 78 -1.210 -4.626 -18.720 1.00 5.34 C ATOM 1052 O VAL A 78 -0.435 -3.837 -19.263 1.00 12.54 O ATOM 1053 CB VAL A 78 -3.428 -3.524 -19.024 1.00 32.14 C ATOM 1054 CG1 VAL A 78 -3.747 -4.537 -20.113 1.00 12.22 C ATOM 1055 CG2 VAL A 78 -4.700 -3.048 -18.338 1.00 1.11 C ATOM 0 H VAL A 78 -1.661 -2.308 -17.311 1.00 74.13 H new ATOM 0 HA VAL A 78 -2.940 -4.963 -17.492 1.00 23.11 H new ATOM 0 HB VAL A 78 -2.950 -2.663 -19.491 1.00 32.14 H new ATOM 0 HG11 VAL A 78 -4.437 -4.094 -20.832 1.00 12.22 H new ATOM 0 HG12 VAL A 78 -2.828 -4.825 -20.623 1.00 12.22 H new ATOM 0 HG13 VAL A 78 -4.206 -5.419 -19.666 1.00 12.22 H new ATOM 0 HG21 VAL A 78 -5.377 -2.625 -19.080 1.00 1.11 H new ATOM 0 HG22 VAL A 78 -5.184 -3.890 -17.843 1.00 1.11 H new ATOM 0 HG23 VAL A 78 -4.452 -2.287 -17.598 1.00 1.11 H new ATOM 1065 N LEU A 79 -1.023 -5.941 -18.726 1.00 13.12 N ATOM 1066 CA LEU A 79 0.128 -6.548 -19.386 1.00 14.41 C ATOM 1067 C LEU A 79 -0.284 -7.213 -20.695 1.00 42.45 C ATOM 1068 O LEU A 79 -1.259 -7.964 -20.742 1.00 44.40 O ATOM 1069 CB LEU A 79 0.786 -7.575 -18.464 1.00 22.13 C ATOM 1070 CG LEU A 79 2.313 -7.537 -18.399 1.00 24.31 C ATOM 1071 CD1 LEU A 79 2.795 -6.168 -17.945 1.00 53.22 C ATOM 1072 CD2 LEU A 79 2.835 -8.623 -17.469 1.00 11.02 C ATOM 0 H LEU A 79 -1.654 -6.608 -18.281 1.00 13.12 H new ATOM 0 HA LEU A 79 0.845 -5.759 -19.611 1.00 14.41 H new ATOM 0 HB2 LEU A 79 0.396 -7.432 -17.456 1.00 22.13 H new ATOM 0 HB3 LEU A 79 0.481 -8.571 -18.786 1.00 22.13 H new ATOM 0 HG LEU A 79 2.704 -7.724 -19.399 1.00 24.31 H new ATOM 0 HD11 LEU A 79 3.884 -6.161 -17.905 1.00 53.22 H new ATOM 0 HD12 LEU A 79 2.453 -5.410 -18.649 1.00 53.22 H new ATOM 0 HD13 LEU A 79 2.394 -5.951 -16.955 1.00 53.22 H new ATOM 0 HD21 LEU A 79 3.924 -8.581 -17.435 1.00 11.02 H new ATOM 0 HD22 LEU A 79 2.435 -8.468 -16.467 1.00 11.02 H new ATOM 0 HD23 LEU A 79 2.521 -9.600 -17.838 1.00 11.02 H new ATOM 1084 N ILE A 80 0.466 -6.933 -21.756 1.00 62.20 N ATOM 1085 CA ILE A 80 0.181 -7.507 -23.065 1.00 61.12 C ATOM 1086 C ILE A 80 1.290 -8.458 -23.502 1.00 45.21 C ATOM 1087 O ILE A 80 2.474 -8.125 -23.429 1.00 71.00 O ATOM 1088 CB ILE A 80 0.008 -6.412 -24.134 1.00 63.13 C ATOM 1089 CG1 ILE A 80 -0.325 -7.040 -25.489 1.00 50.23 C ATOM 1090 CG2 ILE A 80 1.268 -5.564 -24.233 1.00 33.34 C ATOM 1091 CD1 ILE A 80 -0.811 -6.040 -26.515 1.00 64.14 C ATOM 0 H ILE A 80 1.275 -6.312 -21.734 1.00 62.20 H new ATOM 0 HA ILE A 80 -0.753 -8.061 -22.970 1.00 61.12 H new ATOM 0 HB ILE A 80 -0.819 -5.766 -23.840 1.00 63.13 H new ATOM 0 HG12 ILE A 80 0.562 -7.543 -25.875 1.00 50.23 H new ATOM 0 HG13 ILE A 80 -1.089 -7.804 -25.348 1.00 50.23 H new ATOM 0 HG21 ILE A 80 1.130 -4.795 -24.993 1.00 33.34 H new ATOM 0 HG22 ILE A 80 1.466 -5.092 -23.270 1.00 33.34 H new ATOM 0 HG23 ILE A 80 2.112 -6.197 -24.507 1.00 33.34 H new ATOM 0 HD11 ILE A 80 -1.028 -6.555 -27.451 1.00 64.14 H new ATOM 0 HD12 ILE A 80 -1.716 -5.555 -26.150 1.00 64.14 H new ATOM 0 HD13 ILE A 80 -0.040 -5.289 -26.685 1.00 64.14 H new ATOM 1103 N THR A 81 0.900 -9.644 -23.959 1.00 3.12 N ATOM 1104 CA THR A 81 1.861 -10.643 -24.409 1.00 32.44 C ATOM 1105 C THR A 81 1.727 -10.901 -25.905 1.00 54.42 C ATOM 1106 O THR A 81 0.625 -11.118 -26.411 1.00 24.22 O ATOM 1107 CB THR A 81 1.683 -11.974 -23.653 1.00 0.43 C ATOM 1108 OG1 THR A 81 2.467 -12.998 -24.273 1.00 65.41 O ATOM 1109 CG2 THR A 81 0.221 -12.392 -23.629 1.00 55.54 C ATOM 0 H THR A 81 -0.075 -9.936 -24.027 1.00 3.12 H new ATOM 0 HA THR A 81 2.853 -10.243 -24.199 1.00 32.44 H new ATOM 0 HB THR A 81 2.020 -11.831 -22.626 1.00 0.43 H new ATOM 0 HG1 THR A 81 2.350 -13.840 -23.786 1.00 65.41 H new ATOM 0 HG21 THR A 81 0.121 -13.334 -23.090 1.00 55.54 H new ATOM 0 HG22 THR A 81 -0.369 -11.624 -23.129 1.00 55.54 H new ATOM 0 HG23 THR A 81 -0.138 -12.518 -24.650 1.00 55.54 H new ATOM 1117 N ARG A 82 2.854 -10.875 -26.609 1.00 12.23 N ATOM 1118 CA ARG A 82 2.861 -11.105 -28.048 1.00 42.14 C ATOM 1119 C ARG A 82 3.190 -12.561 -28.364 1.00 64.05 C ATOM 1120 O ARG A 82 3.904 -13.226 -27.612 1.00 52.42 O ATOM 1121 CB ARG A 82 3.875 -10.183 -28.729 1.00 14.45 C ATOM 1122 CG ARG A 82 3.254 -8.930 -29.325 1.00 13.25 C ATOM 1123 CD ARG A 82 4.148 -8.319 -30.392 1.00 11.41 C ATOM 1124 NE ARG A 82 4.141 -6.859 -30.342 1.00 30.12 N ATOM 1125 CZ ARG A 82 5.070 -6.100 -30.912 1.00 52.31 C ATOM 1126 NH1 ARG A 82 6.074 -6.659 -31.573 1.00 3.14 N ATOM 1127 NH2 ARG A 82 4.995 -4.778 -30.823 1.00 14.13 N ATOM 0 H ARG A 82 3.774 -10.697 -26.206 1.00 12.23 H new ATOM 0 HA ARG A 82 1.865 -10.884 -28.431 1.00 42.14 H new ATOM 0 HB2 ARG A 82 4.634 -9.892 -28.003 1.00 14.45 H new ATOM 0 HB3 ARG A 82 4.384 -10.737 -29.518 1.00 14.45 H new ATOM 0 HG2 ARG A 82 2.284 -9.174 -29.758 1.00 13.25 H new ATOM 0 HG3 ARG A 82 3.076 -8.200 -28.536 1.00 13.25 H new ATOM 0 HD2 ARG A 82 5.168 -8.681 -30.261 1.00 11.41 H new ATOM 0 HD3 ARG A 82 3.816 -8.650 -31.376 1.00 11.41 H new ATOM 0 HE ARG A 82 3.381 -6.397 -29.842 1.00 30.12 H new ATOM 0 HH11 ARG A 82 6.135 -7.675 -31.645 1.00 3.14 H new ATOM 0 HH12 ARG A 82 6.786 -6.073 -32.010 1.00 3.14 H new ATOM 0 HH21 ARG A 82 4.223 -4.344 -30.316 1.00 14.13 H new ATOM 0 HH22 ARG A 82 5.709 -4.196 -31.261 1.00 14.13 H new ATOM 1141 N THR A 83 2.665 -13.052 -29.483 1.00 0.12 N ATOM 1142 CA THR A 83 2.901 -14.429 -29.898 1.00 1.21 C ATOM 1143 C THR A 83 3.648 -14.482 -31.225 1.00 65.54 C ATOM 1144 O THR A 83 3.089 -14.877 -32.249 1.00 2.22 O ATOM 1145 CB THR A 83 1.580 -15.209 -30.034 1.00 12.12 C ATOM 1146 OG1 THR A 83 0.816 -15.093 -28.828 1.00 41.21 O ATOM 1147 CG2 THR A 83 1.846 -16.677 -30.332 1.00 2.31 C ATOM 0 H THR A 83 2.073 -12.516 -30.118 1.00 0.12 H new ATOM 0 HA THR A 83 3.510 -14.893 -29.122 1.00 1.21 H new ATOM 0 HB THR A 83 1.016 -14.783 -30.864 1.00 12.12 H new ATOM 0 HG1 THR A 83 -0.023 -15.590 -28.923 1.00 41.21 H new ATOM 0 HG21 THR A 83 0.898 -17.207 -30.424 1.00 2.31 H new ATOM 0 HG22 THR A 83 2.402 -16.764 -31.265 1.00 2.31 H new ATOM 0 HG23 THR A 83 2.429 -17.113 -29.521 1.00 2.31 H new ATOM 1155 N VAL A 84 4.916 -14.084 -31.202 1.00 4.01 N ATOM 1156 CA VAL A 84 5.742 -14.089 -32.404 1.00 14.50 C ATOM 1157 C VAL A 84 5.136 -13.206 -33.490 1.00 30.04 C ATOM 1158 O VAL A 84 4.516 -13.699 -34.431 1.00 11.11 O ATOM 1159 CB VAL A 84 5.919 -15.515 -32.957 1.00 45.12 C ATOM 1160 CG1 VAL A 84 6.822 -15.504 -34.181 1.00 64.33 C ATOM 1161 CG2 VAL A 84 6.475 -16.437 -31.883 1.00 21.34 C ATOM 0 H VAL A 84 5.394 -13.754 -30.364 1.00 4.01 H new ATOM 0 HA VAL A 84 6.717 -13.694 -32.120 1.00 14.50 H new ATOM 0 HB VAL A 84 4.942 -15.893 -33.259 1.00 45.12 H new ATOM 0 HG11 VAL A 84 6.936 -16.520 -34.558 1.00 64.33 H new ATOM 0 HG12 VAL A 84 6.379 -14.877 -34.955 1.00 64.33 H new ATOM 0 HG13 VAL A 84 7.800 -15.107 -33.908 1.00 64.33 H new ATOM 0 HG21 VAL A 84 6.594 -17.441 -32.291 1.00 21.34 H new ATOM 0 HG22 VAL A 84 7.443 -16.064 -31.549 1.00 21.34 H new ATOM 0 HG23 VAL A 84 5.787 -16.468 -31.038 1.00 21.34 H new ATOM 1171 N GLY A 85 5.321 -11.896 -33.352 1.00 32.42 N ATOM 1172 CA GLY A 85 4.787 -10.965 -34.328 1.00 70.14 C ATOM 1173 C GLY A 85 5.530 -9.644 -34.336 1.00 14.33 C ATOM 1174 O GLY A 85 6.472 -9.450 -33.568 1.00 44.24 O ATOM 0 H GLY A 85 5.831 -11.464 -32.582 1.00 32.42 H new ATOM 0 HA2 GLY A 85 4.839 -11.414 -35.320 1.00 70.14 H new ATOM 0 HA3 GLY A 85 3.733 -10.784 -34.115 1.00 70.14 H new TER 1178 GLY A 85