USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 70:sc= 0.128 USER MOD Set 1.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -97:sc= 0.0359 (180deg=-0.00879) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 12 MET CE :methyl -115:sc=-0.00347 (180deg=-0.0175) USER MOD Single : A 13 THR OG1 : rot -115:sc= -1.4! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 70:sc= 0.799 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 62:sc= -2.65! USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 90:sc= -2.13! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -3:sc= -6.15! USER MOD Single : A 68 SER OG : rot 116:sc= -6.57! USER MOD Single : A 69 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.142 (180deg=-0.957) USER MOD Single : A 72 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.199 0.766 0.544 1.00 0.00 N ATOM 2 CA ALA A 1 17.283 1.941 0.611 1.00 0.00 C ATOM 3 C ALA A 1 16.121 1.657 1.569 1.00 0.00 C ATOM 4 O ALA A 1 15.725 0.528 1.758 1.00 0.00 O ATOM 5 CB ALA A 1 16.771 2.125 -0.816 1.00 0.00 C ATOM 0 H1 ALA A 1 19.001 0.914 1.189 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.683 -0.093 0.824 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.552 0.656 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 1 17.785 2.834 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.088 2.974 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.613 2.309 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.246 1.224 -1.133 1.00 0.00 H new ATOM 13 N THR A 2 15.571 2.688 2.154 1.00 0.00 N ATOM 14 CA THR A 2 14.438 2.544 3.093 1.00 0.00 C ATOM 15 C THR A 2 13.533 3.753 2.887 1.00 0.00 C ATOM 16 O THR A 2 13.687 4.776 3.523 1.00 0.00 O ATOM 17 CB THR A 2 15.064 2.578 4.483 1.00 0.00 C ATOM 18 OG1 THR A 2 16.419 2.997 4.387 1.00 0.00 O ATOM 19 CG2 THR A 2 15.000 1.187 5.108 1.00 0.00 C ATOM 0 H THR A 2 15.876 3.651 2.010 1.00 0.00 H new ATOM 0 HA THR A 2 13.856 1.633 2.952 1.00 0.00 H new ATOM 0 HB THR A 2 14.514 3.280 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.819 3.020 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.448 1.213 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.960 0.871 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.547 0.481 4.482 1.00 0.00 H new ATOM 27 N GLN A 3 12.631 3.662 1.964 1.00 0.00 N ATOM 28 CA GLN A 3 11.757 4.836 1.669 1.00 0.00 C ATOM 29 C GLN A 3 10.278 4.519 1.874 1.00 0.00 C ATOM 30 O GLN A 3 9.830 3.404 1.691 1.00 0.00 O ATOM 31 CB GLN A 3 12.026 5.166 0.198 1.00 0.00 C ATOM 32 CG GLN A 3 12.117 3.873 -0.616 1.00 0.00 C ATOM 33 CD GLN A 3 11.747 4.160 -2.073 1.00 0.00 C ATOM 34 OE1 GLN A 3 10.725 4.758 -2.345 1.00 0.00 O ATOM 35 NE2 GLN A 3 12.540 3.754 -3.027 1.00 0.00 N ATOM 0 H GLN A 3 12.455 2.832 1.398 1.00 0.00 H new ATOM 0 HA GLN A 3 11.979 5.666 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.229 5.798 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.954 5.730 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.126 3.465 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.446 3.121 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.398 3.252 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.302 3.939 -4.001 1.00 0.00 H new ATOM 44 N THR A 4 9.520 5.511 2.250 1.00 0.00 N ATOM 45 CA THR A 4 8.066 5.316 2.470 1.00 0.00 C ATOM 46 C THR A 4 7.265 6.207 1.522 1.00 0.00 C ATOM 47 O THR A 4 7.594 7.354 1.295 1.00 0.00 O ATOM 48 CB THR A 4 7.795 5.717 3.927 1.00 0.00 C ATOM 49 OG1 THR A 4 6.642 6.543 3.983 1.00 0.00 O ATOM 50 CG2 THR A 4 8.986 6.470 4.532 1.00 0.00 C ATOM 0 H THR A 4 9.854 6.460 2.416 1.00 0.00 H new ATOM 0 HA THR A 4 7.771 4.284 2.279 1.00 0.00 H new ATOM 0 HB THR A 4 7.637 4.806 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.467 6.798 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.760 6.739 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.870 5.832 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.176 7.375 3.955 1.00 0.00 H new ATOM 58 N VAL A 5 6.210 5.682 0.978 1.00 0.00 N ATOM 59 CA VAL A 5 5.360 6.473 0.049 1.00 0.00 C ATOM 60 C VAL A 5 3.907 6.337 0.465 1.00 0.00 C ATOM 61 O VAL A 5 3.559 5.518 1.287 1.00 0.00 O ATOM 62 CB VAL A 5 5.594 5.847 -1.323 1.00 0.00 C ATOM 63 CG1 VAL A 5 7.065 6.012 -1.705 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.245 4.359 -1.269 1.00 0.00 C ATOM 0 H VAL A 5 5.894 4.725 1.138 1.00 0.00 H new ATOM 0 HA VAL A 5 5.600 7.536 0.049 1.00 0.00 H new ATOM 0 HB VAL A 5 4.965 6.340 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.239 5.567 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.315 7.072 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.691 5.515 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.412 3.910 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.876 3.864 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.198 4.241 -0.989 1.00 0.00 H new ATOM 74 N THR A 6 3.056 7.117 -0.106 1.00 0.00 N ATOM 75 CA THR A 6 1.623 7.017 0.241 1.00 0.00 C ATOM 76 C THR A 6 0.916 6.376 -0.939 1.00 0.00 C ATOM 77 O THR A 6 1.436 6.356 -2.036 1.00 0.00 O ATOM 78 CB THR A 6 1.150 8.455 0.464 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.141 8.439 1.059 1.00 0.00 O ATOM 80 CG2 THR A 6 1.091 9.188 -0.875 1.00 0.00 C ATOM 0 H THR A 6 3.288 7.825 -0.803 1.00 0.00 H new ATOM 0 HA THR A 6 1.423 6.417 1.129 1.00 0.00 H new ATOM 0 HB THR A 6 1.847 8.970 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.446 9.359 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.754 10.212 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.082 9.199 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.394 8.677 -1.539 1.00 0.00 H new ATOM 88 N LEU A 7 -0.237 5.826 -0.740 1.00 0.00 N ATOM 89 CA LEU A 7 -0.911 5.166 -1.882 1.00 0.00 C ATOM 90 C LEU A 7 -2.375 5.565 -1.970 1.00 0.00 C ATOM 91 O LEU A 7 -3.013 5.895 -0.991 1.00 0.00 O ATOM 92 CB LEU A 7 -0.792 3.663 -1.611 1.00 0.00 C ATOM 93 CG LEU A 7 0.185 3.049 -2.607 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.474 3.854 -2.604 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.496 1.601 -2.217 1.00 0.00 C ATOM 0 H LEU A 7 -0.738 5.802 0.148 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.454 5.456 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.446 3.492 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.768 3.187 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.263 3.063 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.176 3.419 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.260 4.884 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.911 3.837 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.195 1.173 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.940 1.580 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.425 1.019 -2.216 1.00 0.00 H new ATOM 107 N ALA A 8 -2.906 5.510 -3.149 1.00 0.00 N ATOM 108 CA ALA A 8 -4.339 5.857 -3.348 1.00 0.00 C ATOM 109 C ALA A 8 -5.050 4.681 -4.015 1.00 0.00 C ATOM 110 O ALA A 8 -4.867 4.421 -5.187 1.00 0.00 O ATOM 111 CB ALA A 8 -4.330 7.079 -4.267 1.00 0.00 C ATOM 0 H ALA A 8 -2.407 5.237 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.859 6.068 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.355 7.396 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.784 7.891 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.845 6.822 -5.209 1.00 0.00 H new ATOM 117 N VAL A 9 -5.849 3.953 -3.283 1.00 0.00 N ATOM 118 CA VAL A 9 -6.543 2.782 -3.902 1.00 0.00 C ATOM 119 C VAL A 9 -8.070 2.975 -3.919 1.00 0.00 C ATOM 120 O VAL A 9 -8.772 2.405 -3.108 1.00 0.00 O ATOM 121 CB VAL A 9 -6.145 1.591 -3.028 1.00 0.00 C ATOM 122 CG1 VAL A 9 -6.558 1.842 -1.577 1.00 0.00 C ATOM 123 CG2 VAL A 9 -6.837 0.332 -3.542 1.00 0.00 C ATOM 0 H VAL A 9 -6.051 4.113 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.256 2.643 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.064 1.462 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.270 0.988 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.061 2.739 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.638 1.978 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.555 -0.518 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.918 0.468 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.534 0.145 -4.572 1.00 0.00 H new ATOM 133 N PRO A 10 -8.536 3.771 -4.858 1.00 0.00 N ATOM 134 CA PRO A 10 -9.991 4.040 -4.991 1.00 0.00 C ATOM 135 C PRO A 10 -10.736 2.820 -5.549 1.00 0.00 C ATOM 136 O PRO A 10 -11.929 2.868 -5.774 1.00 0.00 O ATOM 137 CB PRO A 10 -10.021 5.191 -5.999 1.00 0.00 C ATOM 138 CG PRO A 10 -8.613 5.355 -6.598 1.00 0.00 C ATOM 139 CD PRO A 10 -7.643 4.452 -5.826 1.00 0.00 C ATOM 0 HA PRO A 10 -10.474 4.268 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.746 4.985 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.334 6.114 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.618 5.088 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.294 6.395 -6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.140 3.742 -6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.865 5.028 -5.324 1.00 0.00 H new ATOM 147 N GLY A 11 -10.054 1.729 -5.776 1.00 0.00 N ATOM 148 CA GLY A 11 -10.746 0.527 -6.318 1.00 0.00 C ATOM 149 C GLY A 11 -11.910 0.171 -5.395 1.00 0.00 C ATOM 150 O GLY A 11 -12.914 -0.365 -5.818 1.00 0.00 O ATOM 0 H GLY A 11 -9.054 1.620 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.110 0.724 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.051 -0.309 -6.388 1.00 0.00 H new ATOM 154 N MET A 12 -11.775 0.474 -4.134 1.00 0.00 N ATOM 155 CA MET A 12 -12.859 0.167 -3.160 1.00 0.00 C ATOM 156 C MET A 12 -12.515 0.787 -1.805 1.00 0.00 C ATOM 157 O MET A 12 -11.500 0.478 -1.214 1.00 0.00 O ATOM 158 CB MET A 12 -12.880 -1.358 -3.063 1.00 0.00 C ATOM 159 CG MET A 12 -13.913 -1.918 -4.040 1.00 0.00 C ATOM 160 SD MET A 12 -15.094 -2.955 -3.143 1.00 0.00 S ATOM 161 CE MET A 12 -16.023 -1.615 -2.358 1.00 0.00 C ATOM 0 H MET A 12 -10.953 0.925 -3.733 1.00 0.00 H new ATOM 0 HA MET A 12 -13.827 0.565 -3.465 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.893 -1.761 -3.291 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.123 -1.665 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 12 -14.436 -1.102 -4.540 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.417 -2.501 -4.816 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.889 -1.664 -1.277 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.659 -0.656 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 12 -17.081 -1.717 -2.598 1.00 0.00 H new ATOM 171 N THR A 13 -13.341 1.666 -1.308 1.00 0.00 N ATOM 172 CA THR A 13 -13.032 2.299 0.005 1.00 0.00 C ATOM 173 C THR A 13 -14.311 2.522 0.816 1.00 0.00 C ATOM 174 O THR A 13 -15.123 3.367 0.493 1.00 0.00 O ATOM 175 CB THR A 13 -12.380 3.637 -0.345 1.00 0.00 C ATOM 176 OG1 THR A 13 -12.211 4.404 0.840 1.00 0.00 O ATOM 177 CG2 THR A 13 -13.272 4.399 -1.325 1.00 0.00 C ATOM 0 H THR A 13 -14.209 1.971 -1.749 1.00 0.00 H new ATOM 0 HA THR A 13 -12.383 1.672 0.616 1.00 0.00 H new ATOM 0 HB THR A 13 -11.408 3.459 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.765 5.211 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.807 5.353 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.401 3.810 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.245 4.578 -0.867 1.00 0.00 H new ATOM 185 N CYS A 14 -14.488 1.782 1.878 1.00 0.00 N ATOM 186 CA CYS A 14 -15.710 1.965 2.722 1.00 0.00 C ATOM 187 C CYS A 14 -15.366 1.645 4.174 1.00 0.00 C ATOM 188 O CYS A 14 -15.454 2.484 5.049 1.00 0.00 O ATOM 189 CB CYS A 14 -16.769 0.969 2.213 1.00 0.00 C ATOM 190 SG CYS A 14 -16.583 0.656 0.438 1.00 0.00 S ATOM 0 H CYS A 14 -13.843 1.060 2.199 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.081 2.988 2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.681 0.031 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.766 1.362 2.412 1.00 0.00 H new ATOM 195 N ALA A 15 -14.971 0.430 4.430 1.00 0.00 N ATOM 196 CA ALA A 15 -14.613 0.033 5.818 1.00 0.00 C ATOM 197 C ALA A 15 -13.925 -1.334 5.807 1.00 0.00 C ATOM 198 O ALA A 15 -13.985 -2.075 6.768 1.00 0.00 O ATOM 199 CB ALA A 15 -15.947 -0.042 6.565 1.00 0.00 C ATOM 0 H ALA A 15 -14.880 -0.309 3.733 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.924 0.735 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.768 -0.330 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.434 0.933 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.590 -0.782 6.088 1.00 0.00 H new ATOM 205 N ALA A 16 -13.273 -1.680 4.725 1.00 0.00 N ATOM 206 CA ALA A 16 -12.593 -3.006 4.671 1.00 0.00 C ATOM 207 C ALA A 16 -11.661 -3.116 3.454 1.00 0.00 C ATOM 208 O ALA A 16 -10.583 -3.664 3.548 1.00 0.00 O ATOM 209 CB ALA A 16 -13.729 -4.022 4.560 1.00 0.00 C ATOM 0 H ALA A 16 -13.184 -1.107 3.886 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.966 -3.168 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.314 -5.029 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.380 -3.937 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.305 -3.826 3.656 1.00 0.00 H new ATOM 215 N CYS A 17 -12.066 -2.621 2.312 1.00 0.00 N ATOM 216 CA CYS A 17 -11.188 -2.735 1.101 1.00 0.00 C ATOM 217 C CYS A 17 -9.909 -1.894 1.235 1.00 0.00 C ATOM 218 O CYS A 17 -8.841 -2.378 0.917 1.00 0.00 O ATOM 219 CB CYS A 17 -12.026 -2.254 -0.087 1.00 0.00 C ATOM 220 SG CYS A 17 -13.693 -2.951 0.006 1.00 0.00 S ATOM 0 H CYS A 17 -12.957 -2.147 2.163 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.858 -3.766 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.078 -1.165 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.551 -2.551 -1.022 1.00 0.00 H new ATOM 225 N PRO A 18 -10.023 -0.667 1.696 1.00 0.00 N ATOM 226 CA PRO A 18 -8.814 0.173 1.839 1.00 0.00 C ATOM 227 C PRO A 18 -7.909 -0.473 2.880 1.00 0.00 C ATOM 228 O PRO A 18 -6.711 -0.560 2.719 1.00 0.00 O ATOM 229 CB PRO A 18 -9.378 1.509 2.317 1.00 0.00 C ATOM 230 CG PRO A 18 -10.882 1.327 2.601 1.00 0.00 C ATOM 231 CD PRO A 18 -11.314 -0.063 2.103 1.00 0.00 C ATOM 0 HA PRO A 18 -8.218 0.291 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.859 1.840 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.225 2.278 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.079 1.424 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.458 2.104 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.805 -0.641 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.013 0.003 1.269 1.00 0.00 H new ATOM 239 N ILE A 19 -8.492 -0.952 3.940 1.00 0.00 N ATOM 240 CA ILE A 19 -7.687 -1.640 4.993 1.00 0.00 C ATOM 241 C ILE A 19 -7.045 -2.907 4.397 1.00 0.00 C ATOM 242 O ILE A 19 -5.957 -3.310 4.772 1.00 0.00 O ATOM 243 CB ILE A 19 -8.713 -1.980 6.085 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.165 -1.557 7.450 1.00 0.00 C ATOM 245 CG2 ILE A 19 -9.031 -3.482 6.111 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.309 -1.509 8.464 1.00 0.00 C ATOM 0 H ILE A 19 -9.493 -0.898 4.126 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.870 -1.037 5.388 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.633 -1.440 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.400 -2.260 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.689 -0.579 7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.760 -3.686 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.441 -3.784 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.118 -4.044 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.920 -1.208 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.058 -0.789 8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.765 -2.496 8.545 1.00 0.00 H new ATOM 258 N THR A 20 -7.713 -3.526 3.458 1.00 0.00 N ATOM 259 CA THR A 20 -7.146 -4.746 2.826 1.00 0.00 C ATOM 260 C THR A 20 -5.845 -4.360 2.147 1.00 0.00 C ATOM 261 O THR A 20 -4.963 -5.172 1.931 1.00 0.00 O ATOM 262 CB THR A 20 -8.181 -5.193 1.789 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.451 -5.314 2.411 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.771 -6.547 1.213 1.00 0.00 C ATOM 0 H THR A 20 -8.625 -3.237 3.105 1.00 0.00 H new ATOM 0 HA THR A 20 -6.942 -5.545 3.539 1.00 0.00 H new ATOM 0 HB THR A 20 -8.234 -4.455 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.789 -4.423 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.507 -6.866 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.794 -6.459 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.719 -7.283 2.015 1.00 0.00 H new ATOM 272 N VAL A 21 -5.716 -3.105 1.830 1.00 0.00 N ATOM 273 CA VAL A 21 -4.475 -2.636 1.186 1.00 0.00 C ATOM 274 C VAL A 21 -3.375 -2.616 2.234 1.00 0.00 C ATOM 275 O VAL A 21 -2.227 -2.893 1.956 1.00 0.00 O ATOM 276 CB VAL A 21 -4.776 -1.223 0.688 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.547 -0.660 -0.027 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.955 -1.264 -0.287 1.00 0.00 C ATOM 0 H VAL A 21 -6.422 -2.386 1.992 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.152 -3.273 0.363 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.027 -0.587 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.762 0.348 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.706 -0.629 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.296 -1.297 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.169 -0.256 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.704 -1.901 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.833 -1.664 0.220 1.00 0.00 H new ATOM 288 N LYS A 22 -3.735 -2.319 3.452 1.00 0.00 N ATOM 289 CA LYS A 22 -2.734 -2.303 4.540 1.00 0.00 C ATOM 290 C LYS A 22 -2.167 -3.701 4.678 1.00 0.00 C ATOM 291 O LYS A 22 -1.003 -3.892 4.964 1.00 0.00 O ATOM 292 CB LYS A 22 -3.509 -1.909 5.799 1.00 0.00 C ATOM 293 CG LYS A 22 -2.580 -1.983 7.013 1.00 0.00 C ATOM 294 CD LYS A 22 -3.090 -1.046 8.112 1.00 0.00 C ATOM 295 CE LYS A 22 -2.034 -0.928 9.215 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.594 0.057 10.183 1.00 0.00 N ATOM 0 H LYS A 22 -4.687 -2.086 3.736 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.909 -1.614 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.907 -0.900 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.361 -2.575 5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.535 -3.006 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.567 -1.704 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.306 -0.063 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.023 -1.428 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.853 -1.891 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.080 -0.587 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.925 0.190 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.750 0.966 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.498 -0.297 10.555 1.00 0.00 H new ATOM 310 N LYS A 23 -2.992 -4.685 4.464 1.00 0.00 N ATOM 311 CA LYS A 23 -2.506 -6.080 4.568 1.00 0.00 C ATOM 312 C LYS A 23 -1.487 -6.350 3.464 1.00 0.00 C ATOM 313 O LYS A 23 -0.453 -6.955 3.677 1.00 0.00 O ATOM 314 CB LYS A 23 -3.748 -6.956 4.393 1.00 0.00 C ATOM 315 CG LYS A 23 -3.410 -8.403 4.761 1.00 0.00 C ATOM 316 CD LYS A 23 -3.062 -9.185 3.493 1.00 0.00 C ATOM 317 CE LYS A 23 -3.810 -10.521 3.497 1.00 0.00 C ATOM 318 NZ LYS A 23 -2.909 -11.465 4.215 1.00 0.00 N ATOM 0 H LYS A 23 -3.978 -4.581 4.223 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.011 -6.282 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.557 -6.589 5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.100 -6.905 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.571 -8.426 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.256 -8.868 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.333 -8.607 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.987 -9.358 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.772 -10.433 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.012 -10.863 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.354 -12.404 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.003 -11.534 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.740 -11.117 5.180 1.00 0.00 H new ATOM 332 N ALA A 24 -1.781 -5.895 2.286 1.00 0.00 N ATOM 333 CA ALA A 24 -0.855 -6.104 1.139 1.00 0.00 C ATOM 334 C ALA A 24 0.541 -5.557 1.461 1.00 0.00 C ATOM 335 O ALA A 24 1.518 -6.280 1.445 1.00 0.00 O ATOM 336 CB ALA A 24 -1.480 -5.328 -0.021 1.00 0.00 C ATOM 0 H ALA A 24 -2.633 -5.380 2.062 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.728 -7.161 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.855 -5.432 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.474 -5.723 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.558 -4.274 0.246 1.00 0.00 H new ATOM 342 N LEU A 25 0.648 -4.287 1.751 1.00 0.00 N ATOM 343 CA LEU A 25 1.990 -3.708 2.067 1.00 0.00 C ATOM 344 C LEU A 25 2.536 -4.330 3.350 1.00 0.00 C ATOM 345 O LEU A 25 3.729 -4.453 3.534 1.00 0.00 O ATOM 346 CB LEU A 25 1.768 -2.208 2.275 1.00 0.00 C ATOM 347 CG LEU A 25 0.803 -1.663 1.226 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.434 -1.113 1.931 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.481 -0.540 0.441 1.00 0.00 C ATOM 0 H LEU A 25 -0.130 -3.628 1.783 1.00 0.00 H new ATOM 0 HA LEU A 25 2.706 -3.902 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.370 -2.028 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.720 -1.681 2.212 1.00 0.00 H new ATOM 0 HG LEU A 25 0.516 -2.460 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.131 -0.721 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.916 -1.911 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.140 -0.314 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.791 -0.152 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.764 0.261 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.372 -0.928 -0.053 1.00 0.00 H new ATOM 361 N SER A 26 1.669 -4.729 4.235 1.00 0.00 N ATOM 362 CA SER A 26 2.132 -5.346 5.503 1.00 0.00 C ATOM 363 C SER A 26 2.947 -6.583 5.172 1.00 0.00 C ATOM 364 O SER A 26 3.859 -6.954 5.884 1.00 0.00 O ATOM 365 CB SER A 26 0.859 -5.722 6.260 1.00 0.00 C ATOM 366 OG SER A 26 0.276 -4.548 6.810 1.00 0.00 O ATOM 0 H SER A 26 0.657 -4.654 4.133 1.00 0.00 H new ATOM 0 HA SER A 26 2.759 -4.681 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.154 -6.212 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.090 -6.433 7.053 1.00 0.00 H new ATOM 0 HG SER A 26 -0.082 -3.991 6.087 1.00 0.00 H new ATOM 372 N LYS A 27 2.628 -7.225 4.084 1.00 0.00 N ATOM 373 CA LYS A 27 3.391 -8.434 3.705 1.00 0.00 C ATOM 374 C LYS A 27 3.734 -8.415 2.210 1.00 0.00 C ATOM 375 O LYS A 27 3.997 -9.440 1.613 1.00 0.00 O ATOM 376 CB LYS A 27 2.469 -9.606 4.039 1.00 0.00 C ATOM 377 CG LYS A 27 1.193 -9.504 3.202 1.00 0.00 C ATOM 378 CD LYS A 27 1.442 -10.121 1.826 1.00 0.00 C ATOM 379 CE LYS A 27 0.270 -11.029 1.452 1.00 0.00 C ATOM 380 NZ LYS A 27 0.905 -12.272 0.930 1.00 0.00 N ATOM 0 H LYS A 27 1.876 -6.963 3.447 1.00 0.00 H new ATOM 0 HA LYS A 27 4.341 -8.501 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.975 -10.550 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.222 -9.598 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.374 -10.021 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.895 -8.461 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.559 -9.335 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.370 -10.693 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.360 -11.239 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.367 -10.564 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.166 -12.948 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.493 -12.041 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.500 -12.695 1.671 1.00 0.00 H new ATOM 394 N VAL A 28 3.739 -7.259 1.600 1.00 0.00 N ATOM 395 CA VAL A 28 4.068 -7.194 0.146 1.00 0.00 C ATOM 396 C VAL A 28 5.414 -7.873 -0.120 1.00 0.00 C ATOM 397 O VAL A 28 5.552 -8.645 -1.045 1.00 0.00 O ATOM 398 CB VAL A 28 4.141 -5.703 -0.191 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.246 -5.042 0.631 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.449 -5.534 -1.681 1.00 0.00 C ATOM 0 H VAL A 28 3.531 -6.363 2.042 1.00 0.00 H new ATOM 0 HA VAL A 28 3.325 -7.707 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 28 3.186 -5.233 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.295 -3.981 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.031 -5.162 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.202 -5.511 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.501 -4.473 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.404 -6.006 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.661 -6.002 -2.271 1.00 0.00 H new ATOM 410 N GLU A 29 6.405 -7.596 0.688 1.00 0.00 N ATOM 411 CA GLU A 29 7.740 -8.228 0.483 1.00 0.00 C ATOM 412 C GLU A 29 8.775 -7.618 1.432 1.00 0.00 C ATOM 413 O GLU A 29 9.091 -8.175 2.465 1.00 0.00 O ATOM 414 CB GLU A 29 8.111 -7.919 -0.967 1.00 0.00 C ATOM 415 CG GLU A 29 7.925 -9.175 -1.813 1.00 0.00 C ATOM 416 CD GLU A 29 9.159 -9.395 -2.688 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.675 -8.418 -3.206 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.567 -10.536 -2.829 1.00 0.00 O ATOM 0 H GLU A 29 6.346 -6.958 1.482 1.00 0.00 H new ATOM 0 HA GLU A 29 7.715 -9.299 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.486 -7.112 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.144 -7.577 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.766 -10.039 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.037 -9.076 -2.438 1.00 0.00 H new ATOM 425 N GLY A 30 9.315 -6.485 1.078 1.00 0.00 N ATOM 426 CA GLY A 30 10.343 -5.843 1.947 1.00 0.00 C ATOM 427 C GLY A 30 9.703 -4.774 2.836 1.00 0.00 C ATOM 428 O GLY A 30 10.381 -4.112 3.598 1.00 0.00 O ATOM 0 H GLY A 30 9.089 -5.975 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.826 -6.598 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.120 -5.393 1.329 1.00 0.00 H new ATOM 432 N VAL A 31 8.412 -4.594 2.753 1.00 0.00 N ATOM 433 CA VAL A 31 7.755 -3.559 3.608 1.00 0.00 C ATOM 434 C VAL A 31 8.319 -3.611 5.022 1.00 0.00 C ATOM 435 O VAL A 31 8.372 -4.649 5.651 1.00 0.00 O ATOM 436 CB VAL A 31 6.269 -3.909 3.614 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.061 -5.249 4.321 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.501 -2.811 4.357 1.00 0.00 C ATOM 0 H VAL A 31 7.787 -5.113 2.136 1.00 0.00 H new ATOM 0 HA VAL A 31 7.927 -2.552 3.228 1.00 0.00 H new ATOM 0 HB VAL A 31 5.904 -3.985 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.000 -5.498 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.614 -6.027 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.421 -5.178 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.438 -3.053 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.866 -2.741 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.652 -1.857 3.852 1.00 0.00 H new ATOM 448 N SER A 32 8.736 -2.489 5.522 1.00 0.00 N ATOM 449 CA SER A 32 9.298 -2.448 6.899 1.00 0.00 C ATOM 450 C SER A 32 8.323 -1.735 7.830 1.00 0.00 C ATOM 451 O SER A 32 8.486 -1.729 9.034 1.00 0.00 O ATOM 452 CB SER A 32 10.603 -1.661 6.779 1.00 0.00 C ATOM 453 OG SER A 32 11.601 -2.286 7.576 1.00 0.00 O ATOM 0 H SER A 32 8.713 -1.592 5.037 1.00 0.00 H new ATOM 0 HA SER A 32 9.468 -3.443 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.924 -1.622 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.452 -0.632 7.105 1.00 0.00 H new ATOM 0 HG SER A 32 12.440 -1.786 7.501 1.00 0.00 H new ATOM 459 N LYS A 33 7.304 -1.138 7.281 1.00 0.00 N ATOM 460 CA LYS A 33 6.310 -0.428 8.143 1.00 0.00 C ATOM 461 C LYS A 33 5.056 -0.103 7.320 1.00 0.00 C ATOM 462 O LYS A 33 5.078 -0.147 6.110 1.00 0.00 O ATOM 463 CB LYS A 33 7.057 0.828 8.639 1.00 0.00 C ATOM 464 CG LYS A 33 6.203 2.097 8.501 1.00 0.00 C ATOM 465 CD LYS A 33 5.203 2.166 9.657 1.00 0.00 C ATOM 466 CE LYS A 33 5.738 3.105 10.741 1.00 0.00 C ATOM 467 NZ LYS A 33 5.448 2.412 12.027 1.00 0.00 N ATOM 0 H LYS A 33 7.114 -1.109 6.279 1.00 0.00 H new ATOM 0 HA LYS A 33 5.955 -1.017 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.340 0.693 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.980 0.949 8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.842 2.980 8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.674 2.091 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.238 2.523 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.041 1.171 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.807 3.280 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.248 4.078 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.786 2.995 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.423 2.265 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.933 1.492 12.043 1.00 0.00 H new ATOM 481 N VAL A 34 3.959 0.205 7.962 1.00 0.00 N ATOM 482 CA VAL A 34 2.719 0.507 7.191 1.00 0.00 C ATOM 483 C VAL A 34 1.821 1.490 7.951 1.00 0.00 C ATOM 484 O VAL A 34 1.952 1.683 9.143 1.00 0.00 O ATOM 485 CB VAL A 34 2.018 -0.842 7.037 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.666 -0.639 6.352 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.884 -1.775 6.187 1.00 0.00 C ATOM 0 H VAL A 34 3.869 0.260 8.977 1.00 0.00 H new ATOM 0 HA VAL A 34 2.943 0.974 6.232 1.00 0.00 H new ATOM 0 HB VAL A 34 1.865 -1.285 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.166 -1.601 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.048 0.024 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.820 -0.195 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.383 -2.737 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.038 -1.332 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.848 -1.921 6.674 1.00 0.00 H new ATOM 497 N ASP A 35 0.902 2.105 7.256 1.00 0.00 N ATOM 498 CA ASP A 35 -0.029 3.074 7.899 1.00 0.00 C ATOM 499 C ASP A 35 -1.113 3.435 6.886 1.00 0.00 C ATOM 500 O ASP A 35 -0.997 4.401 6.165 1.00 0.00 O ATOM 501 CB ASP A 35 0.828 4.296 8.236 1.00 0.00 C ATOM 502 CG ASP A 35 0.426 4.844 9.607 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.127 4.086 10.387 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.681 6.011 9.854 1.00 0.00 O ATOM 0 H ASP A 35 0.756 1.974 6.255 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.514 2.681 8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.883 4.023 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.699 5.065 7.474 1.00 0.00 H new ATOM 509 N VAL A 36 -2.147 2.645 6.797 1.00 0.00 N ATOM 510 CA VAL A 36 -3.208 2.919 5.783 1.00 0.00 C ATOM 511 C VAL A 36 -4.484 3.458 6.430 1.00 0.00 C ATOM 512 O VAL A 36 -4.593 3.565 7.635 1.00 0.00 O ATOM 513 CB VAL A 36 -3.474 1.551 5.153 1.00 0.00 C ATOM 514 CG1 VAL A 36 -4.423 1.690 3.960 1.00 0.00 C ATOM 515 CG2 VAL A 36 -2.150 0.943 4.685 1.00 0.00 C ATOM 0 H VAL A 36 -2.305 1.823 7.380 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.897 3.676 5.063 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.937 0.902 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.603 0.708 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.368 2.117 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.974 2.344 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.336 -0.032 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.688 1.600 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.481 0.828 5.538 1.00 0.00 H new ATOM 525 N GLY A 37 -5.447 3.800 5.620 1.00 0.00 N ATOM 526 CA GLY A 37 -6.725 4.338 6.149 1.00 0.00 C ATOM 527 C GLY A 37 -7.888 3.607 5.481 1.00 0.00 C ATOM 528 O GLY A 37 -8.056 3.667 4.264 1.00 0.00 O ATOM 0 H GLY A 37 -5.400 3.728 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.770 4.207 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.792 5.408 5.955 1.00 0.00 H new ATOM 532 N PHE A 38 -8.680 2.924 6.285 1.00 0.00 N ATOM 533 CA PHE A 38 -9.861 2.163 5.769 1.00 0.00 C ATOM 534 C PHE A 38 -11.080 3.081 5.700 1.00 0.00 C ATOM 535 O PHE A 38 -12.069 2.886 6.374 1.00 0.00 O ATOM 536 CB PHE A 38 -10.101 1.013 6.764 1.00 0.00 C ATOM 537 CG PHE A 38 -10.040 1.508 8.196 1.00 0.00 C ATOM 538 CD1 PHE A 38 -11.183 2.040 8.808 1.00 0.00 C ATOM 539 CD2 PHE A 38 -8.839 1.427 8.916 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.124 2.493 10.131 1.00 0.00 C ATOM 541 CE2 PHE A 38 -8.782 1.880 10.239 1.00 0.00 C ATOM 542 CZ PHE A 38 -9.924 2.414 10.846 1.00 0.00 C ATOM 0 H PHE A 38 -8.550 2.865 7.295 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.686 1.778 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.074 0.560 6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.353 0.235 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.111 2.101 8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.957 1.014 8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.006 2.904 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.856 1.817 10.792 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.879 2.765 11.866 1.00 0.00 H new ATOM 552 N GLU A 39 -11.003 4.079 4.880 1.00 0.00 N ATOM 553 CA GLU A 39 -12.134 5.039 4.734 1.00 0.00 C ATOM 554 C GLU A 39 -11.740 6.098 3.712 1.00 0.00 C ATOM 555 O GLU A 39 -12.315 6.197 2.646 1.00 0.00 O ATOM 556 CB GLU A 39 -12.316 5.669 6.117 1.00 0.00 C ATOM 557 CG GLU A 39 -13.578 6.532 6.122 1.00 0.00 C ATOM 558 CD GLU A 39 -13.274 7.874 6.789 1.00 0.00 C ATOM 559 OE1 GLU A 39 -12.280 8.481 6.427 1.00 0.00 O ATOM 560 OE2 GLU A 39 -14.039 8.271 7.653 1.00 0.00 O ATOM 0 H GLU A 39 -10.194 4.279 4.292 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.055 4.565 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.392 4.890 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.446 6.276 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.927 6.691 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.379 6.021 6.656 1.00 0.00 H new ATOM 567 N LYS A 40 -10.733 6.867 4.019 1.00 0.00 N ATOM 568 CA LYS A 40 -10.263 7.895 3.056 1.00 0.00 C ATOM 569 C LYS A 40 -9.527 7.201 1.905 1.00 0.00 C ATOM 570 O LYS A 40 -9.091 7.831 0.963 1.00 0.00 O ATOM 571 CB LYS A 40 -9.305 8.781 3.853 1.00 0.00 C ATOM 572 CG LYS A 40 -10.106 9.809 4.653 1.00 0.00 C ATOM 573 CD LYS A 40 -9.604 11.215 4.321 1.00 0.00 C ATOM 574 CE LYS A 40 -9.059 11.873 5.590 1.00 0.00 C ATOM 575 NZ LYS A 40 -8.154 12.953 5.107 1.00 0.00 N ATOM 0 H LYS A 40 -10.216 6.826 4.897 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.077 8.478 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.703 8.170 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.615 9.287 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.167 9.724 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.002 9.616 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.825 11.165 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.415 11.814 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.865 12.278 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.521 11.154 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.741 13.450 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.393 12.537 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.695 13.626 4.528 1.00 0.00 H new ATOM 589 N ARG A 41 -9.392 5.898 1.985 1.00 0.00 N ATOM 590 CA ARG A 41 -8.696 5.134 0.911 1.00 0.00 C ATOM 591 C ARG A 41 -7.265 5.615 0.745 1.00 0.00 C ATOM 592 O ARG A 41 -6.943 6.310 -0.197 1.00 0.00 O ATOM 593 CB ARG A 41 -9.488 5.412 -0.359 1.00 0.00 C ATOM 594 CG ARG A 41 -8.784 4.759 -1.551 1.00 0.00 C ATOM 595 CD ARG A 41 -8.385 5.828 -2.575 1.00 0.00 C ATOM 596 NE ARG A 41 -9.645 6.571 -2.864 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.609 7.685 -3.545 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.470 8.158 -3.972 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.714 8.329 -3.799 1.00 0.00 N ATOM 0 H ARG A 41 -9.739 5.330 2.758 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.649 4.071 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.501 5.021 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.575 6.487 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.899 4.221 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.443 4.026 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.618 6.491 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.976 5.376 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.538 6.208 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.604 7.657 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.446 9.028 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.606 7.963 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.687 9.199 -4.331 1.00 0.00 H new ATOM 613 N GLU A 42 -6.393 5.252 1.635 1.00 0.00 N ATOM 614 CA GLU A 42 -4.978 5.717 1.464 1.00 0.00 C ATOM 615 C GLU A 42 -3.990 4.806 2.195 1.00 0.00 C ATOM 616 O GLU A 42 -4.075 4.618 3.387 1.00 0.00 O ATOM 617 CB GLU A 42 -4.949 7.124 2.061 1.00 0.00 C ATOM 618 CG GLU A 42 -5.268 7.051 3.556 1.00 0.00 C ATOM 619 CD GLU A 42 -5.796 8.405 4.034 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.475 9.400 3.405 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.512 8.424 5.022 1.00 0.00 O ATOM 0 H GLU A 42 -6.580 4.672 2.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.680 5.701 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.968 7.575 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.674 7.761 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.009 6.274 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.373 6.780 4.116 1.00 0.00 H new ATOM 628 N ALA A 43 -3.042 4.245 1.488 1.00 0.00 N ATOM 629 CA ALA A 43 -2.056 3.349 2.157 1.00 0.00 C ATOM 630 C ALA A 43 -0.674 4.010 2.226 1.00 0.00 C ATOM 631 O ALA A 43 -0.033 4.248 1.228 1.00 0.00 O ATOM 632 CB ALA A 43 -2.013 2.100 1.277 1.00 0.00 C ATOM 0 H ALA A 43 -2.910 4.368 0.484 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.337 3.123 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.308 1.383 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.005 1.651 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.695 2.374 0.271 1.00 0.00 H new ATOM 638 N VAL A 44 -0.201 4.282 3.405 1.00 0.00 N ATOM 639 CA VAL A 44 1.145 4.905 3.547 1.00 0.00 C ATOM 640 C VAL A 44 2.090 3.859 4.124 1.00 0.00 C ATOM 641 O VAL A 44 1.858 3.326 5.189 1.00 0.00 O ATOM 642 CB VAL A 44 0.932 6.088 4.501 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.183 6.321 5.355 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.640 7.346 3.680 1.00 0.00 C ATOM 0 H VAL A 44 -0.688 4.100 4.282 1.00 0.00 H new ATOM 0 HA VAL A 44 1.582 5.251 2.610 1.00 0.00 H new ATOM 0 HB VAL A 44 0.093 5.865 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.014 7.164 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.395 5.427 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.031 6.538 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.487 8.191 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.483 7.554 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.258 7.190 3.083 1.00 0.00 H new ATOM 654 N VAL A 45 3.125 3.518 3.413 1.00 0.00 N ATOM 655 CA VAL A 45 4.028 2.453 3.929 1.00 0.00 C ATOM 656 C VAL A 45 5.512 2.801 3.778 1.00 0.00 C ATOM 657 O VAL A 45 5.917 3.564 2.923 1.00 0.00 O ATOM 658 CB VAL A 45 3.672 1.234 3.070 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.757 0.158 3.177 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.339 0.654 3.547 1.00 0.00 C ATOM 0 H VAL A 45 3.383 3.921 2.512 1.00 0.00 H new ATOM 0 HA VAL A 45 3.890 2.296 4.999 1.00 0.00 H new ATOM 0 HB VAL A 45 3.596 1.550 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.483 -0.697 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.708 0.565 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.853 -0.160 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.081 -0.213 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.426 0.353 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.559 1.409 3.451 1.00 0.00 H new ATOM 670 N THR A 46 6.315 2.178 4.596 1.00 0.00 N ATOM 671 CA THR A 46 7.794 2.358 4.543 1.00 0.00 C ATOM 672 C THR A 46 8.373 1.027 4.084 1.00 0.00 C ATOM 673 O THR A 46 7.762 -0.004 4.281 1.00 0.00 O ATOM 674 CB THR A 46 8.227 2.649 5.986 1.00 0.00 C ATOM 675 OG1 THR A 46 8.021 4.019 6.293 1.00 0.00 O ATOM 676 CG2 THR A 46 9.710 2.303 6.158 1.00 0.00 C ATOM 0 H THR A 46 5.998 1.533 5.320 1.00 0.00 H new ATOM 0 HA THR A 46 8.120 3.155 3.875 1.00 0.00 H new ATOM 0 HB THR A 46 7.629 2.040 6.664 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.067 4.230 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.015 2.510 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.865 1.246 5.940 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.306 2.906 5.473 1.00 0.00 H new ATOM 684 N PHE A 47 9.521 1.013 3.479 1.00 0.00 N ATOM 685 CA PHE A 47 10.066 -0.296 3.037 1.00 0.00 C ATOM 686 C PHE A 47 11.495 -0.172 2.554 1.00 0.00 C ATOM 687 O PHE A 47 12.055 0.900 2.480 1.00 0.00 O ATOM 688 CB PHE A 47 9.168 -0.726 1.878 1.00 0.00 C ATOM 689 CG PHE A 47 9.384 0.218 0.719 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.468 0.033 -0.155 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.505 1.290 0.525 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.667 0.919 -1.216 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.707 2.177 -0.538 1.00 0.00 C ATOM 694 CZ PHE A 47 9.787 1.991 -1.408 1.00 0.00 C ATOM 0 H PHE A 47 10.096 1.830 3.274 1.00 0.00 H new ATOM 0 HA PHE A 47 10.077 -1.013 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.400 -1.749 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.122 -0.713 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.147 -0.794 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.671 1.432 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.500 0.777 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.030 3.005 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.942 2.675 -2.229 1.00 0.00 H new ATOM 704 N ASP A 48 12.066 -1.278 2.188 1.00 0.00 N ATOM 705 CA ASP A 48 13.447 -1.265 1.665 1.00 0.00 C ATOM 706 C ASP A 48 13.364 -1.493 0.163 1.00 0.00 C ATOM 707 O ASP A 48 12.771 -2.449 -0.296 1.00 0.00 O ATOM 708 CB ASP A 48 14.162 -2.427 2.356 1.00 0.00 C ATOM 709 CG ASP A 48 14.553 -2.017 3.777 1.00 0.00 C ATOM 710 OD1 ASP A 48 13.665 -1.672 4.539 1.00 0.00 O ATOM 711 OD2 ASP A 48 15.735 -2.054 4.079 1.00 0.00 O ATOM 0 H ASP A 48 11.628 -2.198 2.230 1.00 0.00 H new ATOM 0 HA ASP A 48 13.978 -0.331 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.512 -3.302 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.050 -2.709 1.791 1.00 0.00 H new ATOM 716 N ASP A 49 13.906 -0.603 -0.611 1.00 0.00 N ATOM 717 CA ASP A 49 13.797 -0.763 -2.086 1.00 0.00 C ATOM 718 C ASP A 49 14.632 -1.955 -2.582 1.00 0.00 C ATOM 719 O ASP A 49 14.660 -2.255 -3.758 1.00 0.00 O ATOM 720 CB ASP A 49 14.298 0.564 -2.671 1.00 0.00 C ATOM 721 CG ASP A 49 15.813 0.511 -2.893 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.479 -0.180 -2.139 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.280 1.162 -3.812 1.00 0.00 O ATOM 0 H ASP A 49 14.416 0.222 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 49 12.775 -0.977 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.792 0.767 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.051 1.383 -1.995 1.00 0.00 H new ATOM 728 N THR A 50 15.309 -2.633 -1.697 1.00 0.00 N ATOM 729 CA THR A 50 16.137 -3.800 -2.123 1.00 0.00 C ATOM 730 C THR A 50 15.245 -4.993 -2.485 1.00 0.00 C ATOM 731 O THR A 50 15.567 -5.775 -3.357 1.00 0.00 O ATOM 732 CB THR A 50 17.003 -4.133 -0.908 1.00 0.00 C ATOM 733 OG1 THR A 50 16.175 -4.269 0.238 1.00 0.00 O ATOM 734 CG2 THR A 50 18.016 -3.012 -0.680 1.00 0.00 C ATOM 0 H THR A 50 15.326 -2.431 -0.697 1.00 0.00 H new ATOM 0 HA THR A 50 16.734 -3.575 -3.007 1.00 0.00 H new ATOM 0 HB THR A 50 17.535 -5.068 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.728 -4.484 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.633 -3.250 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.650 -2.910 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.488 -2.075 -0.503 1.00 0.00 H new ATOM 742 N LYS A 51 14.131 -5.146 -1.820 1.00 0.00 N ATOM 743 CA LYS A 51 13.233 -6.297 -2.132 1.00 0.00 C ATOM 744 C LYS A 51 11.847 -5.800 -2.546 1.00 0.00 C ATOM 745 O LYS A 51 11.042 -6.539 -3.077 1.00 0.00 O ATOM 746 CB LYS A 51 13.149 -7.099 -0.833 1.00 0.00 C ATOM 747 CG LYS A 51 13.651 -8.524 -1.077 1.00 0.00 C ATOM 748 CD LYS A 51 13.465 -9.356 0.194 1.00 0.00 C ATOM 749 CE LYS A 51 12.334 -10.366 -0.017 1.00 0.00 C ATOM 750 NZ LYS A 51 12.054 -10.920 1.337 1.00 0.00 N ATOM 0 H LYS A 51 13.805 -4.527 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 51 13.611 -6.897 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.747 -6.619 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.120 -7.121 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.104 -8.977 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.703 -8.506 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.391 -9.877 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.233 -8.705 1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.450 -9.887 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.631 -11.152 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.288 -11.621 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.911 -11.376 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.767 -10.150 1.974 1.00 0.00 H new ATOM 764 N ALA A 52 11.568 -4.555 -2.309 1.00 0.00 N ATOM 765 CA ALA A 52 10.238 -4.000 -2.688 1.00 0.00 C ATOM 766 C ALA A 52 10.402 -2.583 -3.234 1.00 0.00 C ATOM 767 O ALA A 52 11.499 -2.131 -3.494 1.00 0.00 O ATOM 768 CB ALA A 52 9.428 -3.987 -1.391 1.00 0.00 C ATOM 0 H ALA A 52 12.204 -3.891 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 52 9.748 -4.588 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.432 -3.590 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.344 -5.003 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.930 -3.359 -0.655 1.00 0.00 H new ATOM 774 N SER A 53 9.322 -1.878 -3.410 1.00 0.00 N ATOM 775 CA SER A 53 9.422 -0.490 -3.940 1.00 0.00 C ATOM 776 C SER A 53 8.032 0.133 -4.066 1.00 0.00 C ATOM 777 O SER A 53 7.038 -0.557 -4.143 1.00 0.00 O ATOM 778 CB SER A 53 10.066 -0.640 -5.318 1.00 0.00 C ATOM 779 OG SER A 53 9.443 -1.713 -6.014 1.00 0.00 O ATOM 0 H SER A 53 8.375 -2.201 -3.211 1.00 0.00 H new ATOM 0 HA SER A 53 10.002 0.160 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.961 0.286 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.134 -0.830 -5.214 1.00 0.00 H new ATOM 0 HG SER A 53 9.853 -1.811 -6.899 1.00 0.00 H new ATOM 785 N VAL A 54 7.963 1.433 -4.090 1.00 0.00 N ATOM 786 CA VAL A 54 6.652 2.117 -4.221 1.00 0.00 C ATOM 787 C VAL A 54 5.788 1.385 -5.243 1.00 0.00 C ATOM 788 O VAL A 54 4.601 1.203 -5.054 1.00 0.00 O ATOM 789 CB VAL A 54 6.998 3.524 -4.708 1.00 0.00 C ATOM 790 CG1 VAL A 54 8.095 4.124 -3.828 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.490 3.460 -6.156 1.00 0.00 C ATOM 0 H VAL A 54 8.768 2.056 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 54 6.089 2.138 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 54 6.107 4.149 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.337 5.127 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.746 4.176 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.985 3.497 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.736 4.464 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.377 2.830 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.707 3.041 -6.788 1.00 0.00 H new ATOM 801 N GLN A 55 6.377 0.948 -6.319 1.00 0.00 N ATOM 802 CA GLN A 55 5.593 0.210 -7.341 1.00 0.00 C ATOM 803 C GLN A 55 5.013 -1.055 -6.710 1.00 0.00 C ATOM 804 O GLN A 55 3.840 -1.342 -6.832 1.00 0.00 O ATOM 805 CB GLN A 55 6.604 -0.144 -8.432 1.00 0.00 C ATOM 806 CG GLN A 55 5.889 -0.262 -9.779 1.00 0.00 C ATOM 807 CD GLN A 55 6.162 0.991 -10.613 1.00 0.00 C ATOM 808 OE1 GLN A 55 5.348 1.892 -10.661 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.282 1.087 -11.276 1.00 0.00 N ATOM 0 H GLN A 55 7.367 1.071 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 55 4.760 0.789 -7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.378 0.622 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.101 -1.083 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.236 -1.148 -10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.817 -0.382 -9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.965 0.331 -11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.474 1.918 -11.835 1.00 0.00 H new ATOM 818 N LYS A 56 5.836 -1.808 -6.032 1.00 0.00 N ATOM 819 CA LYS A 56 5.357 -3.062 -5.382 1.00 0.00 C ATOM 820 C LYS A 56 4.306 -2.758 -4.308 1.00 0.00 C ATOM 821 O LYS A 56 3.473 -3.588 -4.001 1.00 0.00 O ATOM 822 CB LYS A 56 6.605 -3.676 -4.748 1.00 0.00 C ATOM 823 CG LYS A 56 6.735 -5.137 -5.185 1.00 0.00 C ATOM 824 CD LYS A 56 8.071 -5.338 -5.902 1.00 0.00 C ATOM 825 CE LYS A 56 7.837 -5.366 -7.414 1.00 0.00 C ATOM 826 NZ LYS A 56 9.158 -5.034 -8.016 1.00 0.00 N ATOM 0 H LYS A 56 6.827 -1.607 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 56 4.881 -3.733 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.491 -3.116 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.541 -3.615 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.673 -5.794 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.911 -5.404 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.759 -4.533 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.534 -6.270 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.489 -6.346 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.076 -4.643 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.077 -5.034 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.460 -4.093 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.861 -5.743 -7.724 1.00 0.00 H new ATOM 840 N LEU A 57 4.320 -1.580 -3.737 1.00 0.00 N ATOM 841 CA LEU A 57 3.300 -1.263 -2.700 1.00 0.00 C ATOM 842 C LEU A 57 1.944 -1.093 -3.385 1.00 0.00 C ATOM 843 O LEU A 57 0.964 -1.735 -3.041 1.00 0.00 O ATOM 844 CB LEU A 57 3.759 0.053 -2.064 1.00 0.00 C ATOM 845 CG LEU A 57 5.214 -0.069 -1.597 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.724 1.306 -1.171 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.299 -1.026 -0.407 1.00 0.00 C ATOM 0 H LEU A 57 4.985 -0.835 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 57 3.199 -2.045 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.667 0.866 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.117 0.301 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 57 5.823 -0.454 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.759 1.223 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.668 1.992 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.109 1.685 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.335 -1.109 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.689 -0.644 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.933 -2.009 -0.704 1.00 0.00 H new ATOM 859 N THR A 58 1.895 -0.253 -4.380 1.00 0.00 N ATOM 860 CA THR A 58 0.628 -0.051 -5.127 1.00 0.00 C ATOM 861 C THR A 58 0.289 -1.346 -5.856 1.00 0.00 C ATOM 862 O THR A 58 -0.840 -1.585 -6.234 1.00 0.00 O ATOM 863 CB THR A 58 0.925 1.075 -6.118 1.00 0.00 C ATOM 864 OG1 THR A 58 1.366 2.221 -5.406 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.339 1.421 -6.906 1.00 0.00 C ATOM 0 H THR A 58 2.684 0.304 -4.708 1.00 0.00 H new ATOM 0 HA THR A 58 -0.218 0.204 -4.488 1.00 0.00 H new ATOM 0 HB THR A 58 1.701 0.750 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.341 2.192 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.120 2.224 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.679 0.541 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.120 1.745 -6.218 1.00 0.00 H new ATOM 873 N LYS A 59 1.267 -2.198 -6.035 1.00 0.00 N ATOM 874 CA LYS A 59 1.006 -3.494 -6.711 1.00 0.00 C ATOM 875 C LYS A 59 0.441 -4.474 -5.690 1.00 0.00 C ATOM 876 O LYS A 59 -0.257 -5.405 -6.032 1.00 0.00 O ATOM 877 CB LYS A 59 2.360 -3.978 -7.230 1.00 0.00 C ATOM 878 CG LYS A 59 2.301 -4.109 -8.752 1.00 0.00 C ATOM 879 CD LYS A 59 2.198 -5.588 -9.135 1.00 0.00 C ATOM 880 CE LYS A 59 0.741 -6.049 -9.010 1.00 0.00 C ATOM 881 NZ LYS A 59 0.508 -6.953 -10.175 1.00 0.00 N ATOM 0 H LYS A 59 2.232 -2.048 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 59 0.289 -3.404 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.144 -3.276 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.612 -4.938 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.443 -3.561 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.191 -3.668 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.551 -5.736 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.837 -6.188 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.574 -6.572 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.058 -5.200 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.470 -7.305 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.666 -6.428 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.166 -7.757 -10.128 1.00 0.00 H new ATOM 895 N ALA A 60 0.728 -4.265 -4.430 1.00 0.00 N ATOM 896 CA ALA A 60 0.182 -5.185 -3.396 1.00 0.00 C ATOM 897 C ALA A 60 -1.313 -4.932 -3.247 1.00 0.00 C ATOM 898 O ALA A 60 -2.104 -5.852 -3.173 1.00 0.00 O ATOM 899 CB ALA A 60 0.929 -4.844 -2.105 1.00 0.00 C ATOM 0 H ALA A 60 1.310 -3.505 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 60 0.314 -6.236 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.575 -5.487 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.998 -5.001 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.747 -3.801 -1.844 1.00 0.00 H new ATOM 905 N THR A 61 -1.717 -3.692 -3.243 1.00 0.00 N ATOM 906 CA THR A 61 -3.174 -3.404 -3.146 1.00 0.00 C ATOM 907 C THR A 61 -3.792 -3.693 -4.504 1.00 0.00 C ATOM 908 O THR A 61 -4.869 -4.249 -4.614 1.00 0.00 O ATOM 909 CB THR A 61 -3.271 -1.923 -2.804 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.630 -1.579 -2.579 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.710 -1.088 -3.955 1.00 0.00 C ATOM 0 H THR A 61 -1.109 -2.875 -3.302 1.00 0.00 H new ATOM 0 HA THR A 61 -3.692 -4.004 -2.398 1.00 0.00 H new ATOM 0 HB THR A 61 -2.692 -1.721 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.197 -2.361 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.782 -0.029 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.665 -1.352 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.282 -1.287 -4.861 1.00 0.00 H new ATOM 919 N ALA A 62 -3.087 -3.353 -5.547 1.00 0.00 N ATOM 920 CA ALA A 62 -3.602 -3.642 -6.902 1.00 0.00 C ATOM 921 C ALA A 62 -3.795 -5.150 -7.019 1.00 0.00 C ATOM 922 O ALA A 62 -4.672 -5.627 -7.712 1.00 0.00 O ATOM 923 CB ALA A 62 -2.521 -3.152 -7.865 1.00 0.00 C ATOM 0 H ALA A 62 -2.179 -2.889 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.554 -3.157 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.838 -3.336 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.362 -2.083 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.591 -3.687 -7.671 1.00 0.00 H new ATOM 929 N ASP A 63 -2.989 -5.905 -6.315 1.00 0.00 N ATOM 930 CA ASP A 63 -3.136 -7.381 -6.355 1.00 0.00 C ATOM 931 C ASP A 63 -4.171 -7.804 -5.315 1.00 0.00 C ATOM 932 O ASP A 63 -4.762 -8.862 -5.406 1.00 0.00 O ATOM 933 CB ASP A 63 -1.756 -7.939 -6.011 1.00 0.00 C ATOM 934 CG ASP A 63 -1.640 -9.368 -6.544 1.00 0.00 C ATOM 935 OD1 ASP A 63 -1.450 -9.520 -7.740 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.747 -10.287 -5.749 1.00 0.00 O ATOM 0 H ASP A 63 -2.239 -5.558 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.473 -7.747 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.979 -7.312 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.606 -7.928 -4.931 1.00 0.00 H new ATOM 941 N ALA A 64 -4.421 -6.968 -4.339 1.00 0.00 N ATOM 942 CA ALA A 64 -5.443 -7.316 -3.322 1.00 0.00 C ATOM 943 C ALA A 64 -6.812 -7.232 -3.983 1.00 0.00 C ATOM 944 O ALA A 64 -7.785 -7.787 -3.513 1.00 0.00 O ATOM 945 CB ALA A 64 -5.301 -6.259 -2.226 1.00 0.00 C ATOM 0 H ALA A 64 -3.962 -6.067 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.323 -8.318 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.028 -6.453 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.294 -6.299 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.480 -5.270 -2.649 1.00 0.00 H new ATOM 951 N GLY A 65 -6.885 -6.535 -5.086 1.00 0.00 N ATOM 952 CA GLY A 65 -8.178 -6.405 -5.800 1.00 0.00 C ATOM 953 C GLY A 65 -8.603 -4.942 -5.811 1.00 0.00 C ATOM 954 O GLY A 65 -9.770 -4.626 -5.926 1.00 0.00 O ATOM 0 H GLY A 65 -6.100 -6.051 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.082 -6.775 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.939 -7.013 -5.311 1.00 0.00 H new ATOM 958 N TYR A 66 -7.664 -4.045 -5.691 1.00 0.00 N ATOM 959 CA TYR A 66 -8.019 -2.602 -5.685 1.00 0.00 C ATOM 960 C TYR A 66 -7.012 -1.800 -6.521 1.00 0.00 C ATOM 961 O TYR A 66 -5.940 -1.480 -6.048 1.00 0.00 O ATOM 962 CB TYR A 66 -7.948 -2.198 -4.210 1.00 0.00 C ATOM 963 CG TYR A 66 -8.680 -3.222 -3.372 1.00 0.00 C ATOM 964 CD1 TYR A 66 -10.019 -3.508 -3.654 1.00 0.00 C ATOM 965 CD2 TYR A 66 -8.029 -3.883 -2.316 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.713 -4.452 -2.888 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.725 -4.827 -1.551 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.066 -5.112 -1.837 1.00 0.00 C ATOM 969 OH TYR A 66 -10.750 -6.043 -1.083 1.00 0.00 O ATOM 0 H TYR A 66 -6.669 -4.250 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.001 -2.409 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.908 -2.127 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.392 -1.213 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.519 -2.999 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.995 -3.663 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.747 -4.671 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.227 -5.336 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.436 -6.472 -1.636 1.00 0.00 H new ATOM 979 N PRO A 67 -7.389 -1.495 -7.741 1.00 0.00 N ATOM 980 CA PRO A 67 -6.503 -0.719 -8.639 1.00 0.00 C ATOM 981 C PRO A 67 -6.128 0.612 -7.985 1.00 0.00 C ATOM 982 O PRO A 67 -6.865 1.575 -8.048 1.00 0.00 O ATOM 983 CB PRO A 67 -7.380 -0.505 -9.876 1.00 0.00 C ATOM 984 CG PRO A 67 -8.710 -1.259 -9.675 1.00 0.00 C ATOM 985 CD PRO A 67 -8.707 -1.902 -8.282 1.00 0.00 C ATOM 0 HA PRO A 67 -5.560 -1.214 -8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.567 0.558 -10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.870 -0.869 -10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.551 -0.573 -9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.831 -2.023 -10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.528 -1.537 -7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.806 -2.986 -8.336 1.00 0.00 H new ATOM 993 N SER A 68 -4.993 0.667 -7.343 1.00 0.00 N ATOM 994 CA SER A 68 -4.582 1.934 -6.670 1.00 0.00 C ATOM 995 C SER A 68 -3.411 2.596 -7.396 1.00 0.00 C ATOM 996 O SER A 68 -3.118 2.300 -8.537 1.00 0.00 O ATOM 997 CB SER A 68 -4.159 1.512 -5.265 1.00 0.00 C ATOM 998 OG SER A 68 -2.768 1.221 -5.263 1.00 0.00 O ATOM 0 H SER A 68 -4.334 -0.107 -7.255 1.00 0.00 H new ATOM 0 HA SER A 68 -5.391 2.664 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.377 2.307 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.726 0.636 -4.949 1.00 0.00 H new ATOM 0 HG SER A 68 -2.302 1.857 -4.681 1.00 0.00 H new ATOM 1004 N SER A 69 -2.745 3.495 -6.727 1.00 0.00 N ATOM 1005 CA SER A 69 -1.590 4.199 -7.340 1.00 0.00 C ATOM 1006 C SER A 69 -0.677 4.705 -6.227 1.00 0.00 C ATOM 1007 O SER A 69 -0.869 4.393 -5.073 1.00 0.00 O ATOM 1008 CB SER A 69 -2.199 5.368 -8.114 1.00 0.00 C ATOM 1009 OG SER A 69 -2.214 6.523 -7.285 1.00 0.00 O ATOM 0 H SER A 69 -2.957 3.774 -5.769 1.00 0.00 H new ATOM 0 HA SER A 69 -0.996 3.560 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.620 5.562 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.212 5.121 -8.431 1.00 0.00 H new ATOM 0 HG SER A 69 -2.603 7.275 -7.779 1.00 0.00 H new ATOM 1015 N VAL A 70 0.322 5.465 -6.553 1.00 0.00 N ATOM 1016 CA VAL A 70 1.238 5.958 -5.494 1.00 0.00 C ATOM 1017 C VAL A 70 1.551 7.438 -5.689 1.00 0.00 C ATOM 1018 O VAL A 70 1.450 7.961 -6.780 1.00 0.00 O ATOM 1019 CB VAL A 70 2.476 5.097 -5.678 1.00 0.00 C ATOM 1020 CG1 VAL A 70 3.284 5.599 -6.878 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.344 5.150 -4.419 1.00 0.00 C ATOM 0 H VAL A 70 0.545 5.766 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 70 0.818 5.884 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 70 2.166 4.067 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.171 4.978 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.671 5.545 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.586 6.632 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.229 4.530 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.649 6.179 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.773 4.779 -3.568 1.00 0.00 H new ATOM 1031 N LYS A 71 1.924 8.125 -4.641 1.00 0.00 N ATOM 1032 CA LYS A 71 2.225 9.581 -4.814 1.00 0.00 C ATOM 1033 C LYS A 71 3.112 10.114 -3.689 1.00 0.00 C ATOM 1034 O LYS A 71 2.787 11.088 -3.039 1.00 0.00 O ATOM 1035 CB LYS A 71 0.865 10.266 -4.784 1.00 0.00 C ATOM 1036 CG LYS A 71 0.130 9.857 -3.512 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.342 9.615 -3.834 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.141 10.891 -3.561 1.00 0.00 C ATOM 1039 NZ LYS A 71 -1.881 11.765 -4.738 1.00 0.00 N ATOM 0 H LYS A 71 2.032 7.756 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 71 2.771 9.766 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.988 11.349 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.283 9.985 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.576 8.954 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.225 10.637 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.453 9.320 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.728 8.795 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.204 10.676 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.819 11.368 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.685 12.410 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.016 12.319 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.760 11.177 -5.587 1.00 0.00 H new ATOM 1053 N GLN A 72 4.231 9.497 -3.466 1.00 0.00 N ATOM 1054 CA GLN A 72 5.150 9.980 -2.395 1.00 0.00 C ATOM 1055 C GLN A 72 6.309 9.000 -2.209 1.00 0.00 C ATOM 1056 O GLN A 72 6.723 8.412 -3.194 1.00 0.00 O ATOM 1057 CB GLN A 72 4.290 10.052 -1.134 1.00 0.00 C ATOM 1058 CG GLN A 72 3.992 11.516 -0.811 1.00 0.00 C ATOM 1059 CD GLN A 72 4.487 11.845 0.599 1.00 0.00 C ATOM 1060 OE1 GLN A 72 4.682 10.961 1.409 1.00 0.00 O ATOM 1061 NE2 GLN A 72 4.700 13.090 0.927 1.00 0.00 N ATOM 1062 OXT GLN A 72 6.767 8.862 -1.088 1.00 0.00 O ATOM 0 H GLN A 72 4.555 8.676 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 72 5.593 10.946 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.360 9.503 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.808 9.581 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.479 12.165 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.921 11.704 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.536 13.832 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.030 13.321 1.864 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 -15.213 -1.199 0.153 1.00 0.00 HG