USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 939 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 60 SER OG : rot 126:sc= -0.128 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 159:sc= 0.155 (180deg=0.273) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.422 K(o=1.1,f=-0.076) USER MOD Set 1.4: A 90 TYR OH : rot 30:sc= 0.639 USER MOD Set 2.1: A 52 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.06) USER MOD Set 2.2: A 78 SER OG : rot -26:sc= 0.183 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -110:sc= -0.164 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.964 K(o=-1.1,f=0.83) USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= -0.825 (180deg=-1.31) USER MOD Single : A 8 SER OG : rot -118:sc= 0.265 USER MOD Single : A 11 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -103:sc= 0.622 (180deg=-0.478) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= 0.88 (180deg=-0.252) USER MOD Single : A 26 TYR OH : rot 120:sc= -0.643 USER MOD Single : A 29 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.32) USER MOD Single : A 30 THR OG1 : rot 39:sc= 0.033 USER MOD Single : A 31 SER OG : rot 42:sc= 0.315 USER MOD Single : A 32 ASN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.892 (180deg=-2.17!) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc=-0.00332 (180deg=-0.0662) USER MOD Single : A 45 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.2) USER MOD Single : A 48 MET CE :methyl -154:sc= -0.285 (180deg=-1.65!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.0671 (180deg=-0.309) USER MOD Single : A 58 SER OG : rot -33:sc= 0.845 USER MOD Single : A 69 SER OG : rot -5:sc= -0.241 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 0.22 (180deg=-0.108) USER MOD Single : A 77 SER OG : rot 83:sc= -0.0855 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -9:sc= 0.929 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0.658 (180deg=0.518) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -22:sc= -1.12 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0.631 (180deg=0.566) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.657 (180deg=0.622) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= 0.657 (180deg=0.502) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 10.477 8.375 -2.499 1.00 40.11 N ATOM 28 CA LYS A 3 9.037 8.633 -2.515 1.00 24.05 C ATOM 29 C LYS A 3 8.264 7.416 -2.003 1.00 52.12 C ATOM 30 O LYS A 3 8.205 6.371 -2.672 1.00 10.02 O ATOM 31 CB LYS A 3 8.529 9.056 -3.924 1.00 24.22 C ATOM 32 CG LYS A 3 7.008 9.348 -4.013 1.00 63.55 C ATOM 33 CD LYS A 3 6.483 10.418 -3.013 1.00 23.42 C ATOM 34 CE LYS A 3 7.096 11.826 -3.180 1.00 20.14 C ATOM 35 NZ LYS A 3 8.452 11.954 -2.574 1.00 60.55 N ATOM 0 HA LYS A 3 8.854 9.472 -1.844 1.00 24.05 H new ATOM 0 HB2 LYS A 3 9.073 9.947 -4.237 1.00 24.22 H new ATOM 0 HB3 LYS A 3 8.774 8.266 -4.634 1.00 24.22 H new ATOM 0 HG2 LYS A 3 6.775 9.675 -5.026 1.00 63.55 H new ATOM 0 HG3 LYS A 3 6.465 8.418 -3.845 1.00 63.55 H new ATOM 0 HD2 LYS A 3 5.401 10.494 -3.121 1.00 23.42 H new ATOM 0 HD3 LYS A 3 6.678 10.071 -1.998 1.00 23.42 H new ATOM 0 HE2 LYS A 3 7.156 12.065 -4.242 1.00 20.14 H new ATOM 0 HE3 LYS A 3 6.431 12.560 -2.725 1.00 20.14 H new ATOM 0 HZ1 LYS A 3 8.660 12.957 -2.397 1.00 60.55 H new ATOM 0 HZ2 LYS A 3 8.482 11.430 -1.676 1.00 60.55 H new ATOM 0 HZ3 LYS A 3 9.162 11.564 -3.226 1.00 60.55 H new ATOM 49 N VAL A 4 7.709 7.576 -0.795 1.00 74.14 N ATOM 50 CA VAL A 4 6.721 6.671 -0.216 1.00 63.54 C ATOM 51 C VAL A 4 5.324 7.224 -0.527 1.00 73.53 C ATOM 52 O VAL A 4 5.019 8.372 -0.174 1.00 72.20 O ATOM 53 CB VAL A 4 6.883 6.553 1.342 1.00 12.01 C ATOM 54 CG1 VAL A 4 5.939 5.472 1.929 1.00 13.51 C ATOM 55 CG2 VAL A 4 8.352 6.292 1.744 1.00 0.10 C ATOM 0 H VAL A 4 7.943 8.358 -0.183 1.00 74.14 H new ATOM 0 HA VAL A 4 6.864 5.680 -0.646 1.00 63.54 H new ATOM 0 HB VAL A 4 6.593 7.513 1.770 1.00 12.01 H new ATOM 0 HG11 VAL A 4 6.077 5.416 3.009 1.00 13.51 H new ATOM 0 HG12 VAL A 4 4.904 5.734 1.708 1.00 13.51 H new ATOM 0 HG13 VAL A 4 6.172 4.505 1.483 1.00 13.51 H new ATOM 0 HG21 VAL A 4 8.424 6.216 2.829 1.00 0.10 H new ATOM 0 HG22 VAL A 4 8.693 5.361 1.292 1.00 0.10 H new ATOM 0 HG23 VAL A 4 8.976 7.115 1.395 1.00 0.10 H new ATOM 65 N VAL A 5 4.490 6.429 -1.201 1.00 44.24 N ATOM 66 CA VAL A 5 3.080 6.773 -1.447 1.00 63.10 C ATOM 67 C VAL A 5 2.180 5.742 -0.765 1.00 33.24 C ATOM 68 O VAL A 5 2.264 4.549 -1.058 1.00 42.11 O ATOM 69 CB VAL A 5 2.747 6.845 -2.983 1.00 55.13 C ATOM 70 CG1 VAL A 5 1.229 7.026 -3.235 1.00 74.13 C ATOM 71 CG2 VAL A 5 3.543 7.975 -3.671 1.00 61.33 C ATOM 0 H VAL A 5 4.768 5.529 -1.593 1.00 44.24 H new ATOM 0 HA VAL A 5 2.899 7.764 -1.030 1.00 63.10 H new ATOM 0 HB VAL A 5 3.047 5.892 -3.420 1.00 55.13 H new ATOM 0 HG11 VAL A 5 1.041 7.071 -4.308 1.00 74.13 H new ATOM 0 HG12 VAL A 5 0.686 6.183 -2.807 1.00 74.13 H new ATOM 0 HG13 VAL A 5 0.890 7.951 -2.768 1.00 74.13 H new ATOM 0 HG21 VAL A 5 3.294 8.002 -4.732 1.00 61.33 H new ATOM 0 HG22 VAL A 5 3.287 8.931 -3.214 1.00 61.33 H new ATOM 0 HG23 VAL A 5 4.611 7.791 -3.554 1.00 61.33 H new ATOM 81 N PHE A 6 1.336 6.210 0.157 1.00 52.11 N ATOM 82 CA PHE A 6 0.299 5.392 0.775 1.00 14.31 C ATOM 83 C PHE A 6 -1.030 5.613 0.032 1.00 14.42 C ATOM 84 O PHE A 6 -1.659 6.666 0.169 1.00 72.12 O ATOM 85 CB PHE A 6 0.152 5.736 2.275 1.00 61.44 C ATOM 86 CG PHE A 6 -0.810 4.815 2.999 1.00 64.41 C ATOM 87 CD1 PHE A 6 -0.484 3.474 3.170 1.00 40.13 C ATOM 88 CD2 PHE A 6 -2.037 5.266 3.478 1.00 13.45 C ATOM 89 CE1 PHE A 6 -1.351 2.608 3.782 1.00 23.50 C ATOM 90 CE2 PHE A 6 -2.898 4.396 4.100 1.00 71.44 C ATOM 91 CZ PHE A 6 -2.554 3.065 4.248 1.00 1.33 C ATOM 0 H PHE A 6 1.356 7.172 0.495 1.00 52.11 H new ATOM 0 HA PHE A 6 0.580 4.341 0.703 1.00 14.31 H new ATOM 0 HB2 PHE A 6 1.130 5.680 2.753 1.00 61.44 H new ATOM 0 HB3 PHE A 6 -0.193 6.765 2.375 1.00 61.44 H new ATOM 0 HD1 PHE A 6 0.468 3.109 2.814 1.00 40.13 H new ATOM 0 HD2 PHE A 6 -2.312 6.304 3.360 1.00 13.45 H new ATOM 0 HE1 PHE A 6 -1.086 1.567 3.897 1.00 23.50 H new ATOM 0 HE2 PHE A 6 -3.846 4.752 4.475 1.00 71.44 H new ATOM 0 HZ PHE A 6 -3.237 2.383 4.733 1.00 1.33 H new ATOM 101 N LEU A 7 -1.423 4.632 -0.782 1.00 71.44 N ATOM 102 CA LEU A 7 -2.703 4.642 -1.494 1.00 64.20 C ATOM 103 C LEU A 7 -3.738 3.856 -0.673 1.00 10.54 C ATOM 104 O LEU A 7 -3.607 2.651 -0.508 1.00 13.33 O ATOM 105 CB LEU A 7 -2.543 4.020 -2.906 1.00 45.45 C ATOM 106 CG LEU A 7 -3.863 3.837 -3.729 1.00 43.41 C ATOM 107 CD1 LEU A 7 -4.570 5.184 -3.972 1.00 14.24 C ATOM 108 CD2 LEU A 7 -3.587 3.101 -5.051 1.00 71.33 C ATOM 0 H LEU A 7 -0.859 3.803 -0.967 1.00 71.44 H new ATOM 0 HA LEU A 7 -3.043 5.670 -1.617 1.00 64.20 H new ATOM 0 HB2 LEU A 7 -1.863 4.647 -3.483 1.00 45.45 H new ATOM 0 HB3 LEU A 7 -2.066 3.046 -2.800 1.00 45.45 H new ATOM 0 HG LEU A 7 -4.540 3.221 -3.138 1.00 43.41 H new ATOM 0 HD11 LEU A 7 -5.482 5.018 -4.546 1.00 14.24 H new ATOM 0 HD12 LEU A 7 -4.822 5.641 -3.015 1.00 14.24 H new ATOM 0 HD13 LEU A 7 -3.907 5.848 -4.527 1.00 14.24 H new ATOM 0 HD21 LEU A 7 -4.519 2.986 -5.605 1.00 71.33 H new ATOM 0 HD22 LEU A 7 -2.879 3.677 -5.647 1.00 71.33 H new ATOM 0 HD23 LEU A 7 -3.167 2.118 -4.839 1.00 71.33 H new ATOM 120 N SER A 8 -4.748 4.545 -0.147 1.00 4.41 N ATOM 121 CA SER A 8 -5.853 3.919 0.599 1.00 72.43 C ATOM 122 C SER A 8 -7.176 4.474 0.093 1.00 71.14 C ATOM 123 O SER A 8 -7.276 5.656 -0.213 1.00 34.13 O ATOM 124 CB SER A 8 -5.710 4.174 2.114 1.00 35.43 C ATOM 125 OG SER A 8 -6.799 3.639 2.859 1.00 31.34 O ATOM 0 H SER A 8 -4.829 5.559 -0.223 1.00 4.41 H new ATOM 0 HA SER A 8 -5.823 2.841 0.438 1.00 72.43 H new ATOM 0 HB2 SER A 8 -4.779 3.732 2.468 1.00 35.43 H new ATOM 0 HB3 SER A 8 -5.642 5.247 2.294 1.00 35.43 H new ATOM 0 HG SER A 8 -7.266 4.365 3.323 1.00 31.34 H new ATOM 131 N ASP A 9 -8.189 3.607 0.031 1.00 1.44 N ATOM 132 CA ASP A 9 -9.544 3.970 -0.430 1.00 72.24 C ATOM 133 C ASP A 9 -10.438 4.340 0.784 1.00 50.31 C ATOM 134 O ASP A 9 -11.613 4.683 0.624 1.00 63.10 O ATOM 135 CB ASP A 9 -10.130 2.775 -1.244 1.00 74.13 C ATOM 136 CG ASP A 9 -11.351 3.139 -2.119 1.00 12.13 C ATOM 137 OD1 ASP A 9 -11.158 3.617 -3.260 1.00 60.40 O ATOM 138 OD2 ASP A 9 -12.501 2.944 -1.679 1.00 43.01 O ATOM 0 H ASP A 9 -8.099 2.627 0.299 1.00 1.44 H new ATOM 0 HA ASP A 9 -9.506 4.846 -1.078 1.00 72.24 H new ATOM 0 HB2 ASP A 9 -9.347 2.368 -1.884 1.00 74.13 H new ATOM 0 HB3 ASP A 9 -10.417 1.985 -0.551 1.00 74.13 H new ATOM 143 N ASP A 10 -9.843 4.326 1.996 1.00 55.42 N ATOM 144 CA ASP A 10 -10.579 4.453 3.276 1.00 44.45 C ATOM 145 C ASP A 10 -9.952 5.565 4.146 1.00 1.41 C ATOM 146 O ASP A 10 -8.741 5.545 4.379 1.00 62.14 O ATOM 147 CB ASP A 10 -10.514 3.087 4.008 1.00 23.11 C ATOM 148 CG ASP A 10 -11.411 2.994 5.260 1.00 34.23 C ATOM 149 OD1 ASP A 10 -11.040 3.538 6.319 1.00 30.31 O ATOM 150 OD2 ASP A 10 -12.477 2.347 5.196 1.00 35.03 O ATOM 0 H ASP A 10 -8.835 4.226 2.116 1.00 55.42 H new ATOM 0 HA ASP A 10 -11.618 4.724 3.088 1.00 44.45 H new ATOM 0 HB2 ASP A 10 -10.801 2.300 3.310 1.00 23.11 H new ATOM 0 HB3 ASP A 10 -9.482 2.893 4.300 1.00 23.11 H new ATOM 155 N GLN A 11 -10.798 6.488 4.658 1.00 73.42 N ATOM 156 CA GLN A 11 -10.353 7.668 5.439 1.00 45.20 C ATOM 157 C GLN A 11 -9.744 7.277 6.798 1.00 51.31 C ATOM 158 O GLN A 11 -8.667 7.778 7.147 1.00 72.03 O ATOM 159 CB GLN A 11 -11.534 8.654 5.656 1.00 31.54 C ATOM 160 CG GLN A 11 -11.193 9.940 6.449 1.00 23.24 C ATOM 161 CD GLN A 11 -10.206 10.862 5.730 1.00 10.41 C ATOM 162 OE1 GLN A 11 -10.596 11.756 4.983 1.00 72.50 O ATOM 163 NE2 GLN A 11 -8.919 10.637 5.935 1.00 63.05 N ATOM 0 H GLN A 11 -11.810 6.437 4.542 1.00 73.42 H new ATOM 0 HA GLN A 11 -9.572 8.156 4.856 1.00 45.20 H new ATOM 0 HB2 GLN A 11 -11.927 8.943 4.681 1.00 31.54 H new ATOM 0 HB3 GLN A 11 -12.333 8.127 6.178 1.00 31.54 H new ATOM 0 HG2 GLN A 11 -12.113 10.490 6.645 1.00 23.24 H new ATOM 0 HG3 GLN A 11 -10.776 9.660 7.417 1.00 23.24 H new ATOM 0 HE21 GLN A 11 -8.626 9.887 6.561 1.00 63.05 H new ATOM 0 HE22 GLN A 11 -8.220 11.213 5.467 1.00 63.05 H new ATOM 172 N GLU A 12 -10.436 6.380 7.537 1.00 54.41 N ATOM 173 CA GLU A 12 -10.015 5.922 8.891 1.00 2.04 C ATOM 174 C GLU A 12 -8.555 5.456 8.899 1.00 71.41 C ATOM 175 O GLU A 12 -7.804 5.705 9.850 1.00 75.44 O ATOM 176 CB GLU A 12 -10.918 4.753 9.375 1.00 61.13 C ATOM 177 CG GLU A 12 -12.381 5.132 9.668 1.00 12.21 C ATOM 178 CD GLU A 12 -12.527 6.056 10.886 1.00 14.21 C ATOM 179 OE1 GLU A 12 -12.773 7.268 10.718 1.00 13.22 O ATOM 180 OE2 GLU A 12 -12.371 5.571 12.027 1.00 74.35 O ATOM 0 H GLU A 12 -11.303 5.950 7.216 1.00 54.41 H new ATOM 0 HA GLU A 12 -10.116 6.773 9.564 1.00 2.04 H new ATOM 0 HB2 GLU A 12 -10.907 3.969 8.617 1.00 61.13 H new ATOM 0 HB3 GLU A 12 -10.482 4.328 10.279 1.00 61.13 H new ATOM 0 HG2 GLU A 12 -12.806 5.623 8.793 1.00 12.21 H new ATOM 0 HG3 GLU A 12 -12.960 4.224 9.836 1.00 12.21 H new ATOM 187 N ILE A 13 -8.180 4.806 7.801 1.00 14.41 N ATOM 188 CA ILE A 13 -6.845 4.277 7.587 1.00 11.54 C ATOM 189 C ILE A 13 -5.827 5.429 7.400 1.00 31.20 C ATOM 190 O ILE A 13 -4.805 5.485 8.091 1.00 52.33 O ATOM 191 CB ILE A 13 -6.837 3.363 6.321 1.00 11.23 C ATOM 192 CG1 ILE A 13 -7.882 2.203 6.418 1.00 73.42 C ATOM 193 CG2 ILE A 13 -5.438 2.812 6.066 1.00 35.14 C ATOM 194 CD1 ILE A 13 -7.671 1.214 7.545 1.00 41.42 C ATOM 0 H ILE A 13 -8.813 4.631 7.021 1.00 14.41 H new ATOM 0 HA ILE A 13 -6.558 3.694 8.462 1.00 11.54 H new ATOM 0 HB ILE A 13 -7.130 3.984 5.474 1.00 11.23 H new ATOM 0 HG12 ILE A 13 -8.874 2.642 6.527 1.00 73.42 H new ATOM 0 HG13 ILE A 13 -7.877 1.656 5.475 1.00 73.42 H new ATOM 0 HG21 ILE A 13 -5.453 2.178 5.180 1.00 35.14 H new ATOM 0 HG22 ILE A 13 -4.745 3.638 5.909 1.00 35.14 H new ATOM 0 HG23 ILE A 13 -5.115 2.226 6.926 1.00 35.14 H new ATOM 0 HD11 ILE A 13 -8.453 0.456 7.515 1.00 41.42 H new ATOM 0 HD12 ILE A 13 -6.698 0.736 7.432 1.00 41.42 H new ATOM 0 HD13 ILE A 13 -7.710 1.737 8.500 1.00 41.42 H new ATOM 206 N ILE A 14 -6.156 6.349 6.465 1.00 5.31 N ATOM 207 CA ILE A 14 -5.272 7.459 6.037 1.00 12.43 C ATOM 208 C ILE A 14 -4.868 8.361 7.225 1.00 11.42 C ATOM 209 O ILE A 14 -3.708 8.759 7.330 1.00 64.35 O ATOM 210 CB ILE A 14 -5.973 8.328 4.914 1.00 75.13 C ATOM 211 CG1 ILE A 14 -6.313 7.449 3.672 1.00 23.11 C ATOM 212 CG2 ILE A 14 -5.108 9.542 4.498 1.00 54.45 C ATOM 213 CD1 ILE A 14 -7.141 8.138 2.596 1.00 12.14 C ATOM 0 H ILE A 14 -7.053 6.342 5.980 1.00 5.31 H new ATOM 0 HA ILE A 14 -4.365 7.012 5.631 1.00 12.43 H new ATOM 0 HB ILE A 14 -6.900 8.716 5.336 1.00 75.13 H new ATOM 0 HG12 ILE A 14 -5.381 7.104 3.225 1.00 23.11 H new ATOM 0 HG13 ILE A 14 -6.851 6.563 4.010 1.00 23.11 H new ATOM 0 HG21 ILE A 14 -5.626 10.111 3.726 1.00 54.45 H new ATOM 0 HG22 ILE A 14 -4.936 10.180 5.365 1.00 54.45 H new ATOM 0 HG23 ILE A 14 -4.152 9.191 4.110 1.00 54.45 H new ATOM 0 HD11 ILE A 14 -7.323 7.443 1.776 1.00 12.14 H new ATOM 0 HD12 ILE A 14 -8.093 8.458 3.019 1.00 12.14 H new ATOM 0 HD13 ILE A 14 -6.600 9.007 2.221 1.00 12.14 H new ATOM 225 N GLU A 15 -5.841 8.631 8.118 1.00 53.11 N ATOM 226 CA GLU A 15 -5.658 9.508 9.294 1.00 35.12 C ATOM 227 C GLU A 15 -4.598 8.936 10.248 1.00 31.02 C ATOM 228 O GLU A 15 -3.692 9.650 10.689 1.00 43.41 O ATOM 229 CB GLU A 15 -7.009 9.677 10.038 1.00 4.04 C ATOM 230 CG GLU A 15 -8.122 10.305 9.183 1.00 65.01 C ATOM 231 CD GLU A 15 -9.474 10.362 9.908 1.00 72.14 C ATOM 232 OE1 GLU A 15 -10.221 9.362 9.881 1.00 43.23 O ATOM 233 OE2 GLU A 15 -9.790 11.405 10.522 1.00 42.11 O ATOM 0 H GLU A 15 -6.782 8.245 8.044 1.00 53.11 H new ATOM 0 HA GLU A 15 -5.312 10.482 8.947 1.00 35.12 H new ATOM 0 HB2 GLU A 15 -7.343 8.701 10.389 1.00 4.04 H new ATOM 0 HB3 GLU A 15 -6.850 10.296 10.921 1.00 4.04 H new ATOM 0 HG2 GLU A 15 -7.827 11.314 8.896 1.00 65.01 H new ATOM 0 HG3 GLU A 15 -8.233 9.732 8.263 1.00 65.01 H new ATOM 240 N GLU A 16 -4.721 7.629 10.521 1.00 50.32 N ATOM 241 CA GLU A 16 -3.824 6.894 11.424 1.00 42.04 C ATOM 242 C GLU A 16 -2.395 6.815 10.872 1.00 24.03 C ATOM 243 O GLU A 16 -1.431 7.076 11.598 1.00 72.20 O ATOM 244 CB GLU A 16 -4.384 5.476 11.656 1.00 71.12 C ATOM 245 CG GLU A 16 -5.671 5.436 12.489 1.00 64.25 C ATOM 246 CD GLU A 16 -5.481 5.837 13.966 1.00 1.41 C ATOM 247 OE1 GLU A 16 -5.881 6.954 14.358 1.00 13.02 O ATOM 248 OE2 GLU A 16 -4.929 5.031 14.746 1.00 43.41 O ATOM 0 H GLU A 16 -5.454 7.046 10.117 1.00 50.32 H new ATOM 0 HA GLU A 16 -3.776 7.434 12.369 1.00 42.04 H new ATOM 0 HB2 GLU A 16 -4.576 5.011 10.689 1.00 71.12 H new ATOM 0 HB3 GLU A 16 -3.624 4.874 12.154 1.00 71.12 H new ATOM 0 HG2 GLU A 16 -6.405 6.102 12.035 1.00 64.25 H new ATOM 0 HG3 GLU A 16 -6.086 4.429 12.448 1.00 64.25 H new ATOM 255 N VAL A 17 -2.283 6.450 9.585 1.00 4.23 N ATOM 256 CA VAL A 17 -0.994 6.282 8.900 1.00 3.44 C ATOM 257 C VAL A 17 -0.244 7.617 8.795 1.00 53.51 C ATOM 258 O VAL A 17 0.962 7.663 9.023 1.00 2.31 O ATOM 259 CB VAL A 17 -1.209 5.647 7.474 1.00 53.21 C ATOM 260 CG1 VAL A 17 0.103 5.593 6.648 1.00 44.24 C ATOM 261 CG2 VAL A 17 -1.836 4.237 7.602 1.00 23.05 C ATOM 0 H VAL A 17 -3.089 6.262 8.988 1.00 4.23 H new ATOM 0 HA VAL A 17 -0.381 5.603 9.492 1.00 3.44 H new ATOM 0 HB VAL A 17 -1.898 6.294 6.931 1.00 53.21 H new ATOM 0 HG11 VAL A 17 -0.098 5.147 5.674 1.00 44.24 H new ATOM 0 HG12 VAL A 17 0.489 6.603 6.512 1.00 44.24 H new ATOM 0 HG13 VAL A 17 0.841 4.990 7.177 1.00 44.24 H new ATOM 0 HG21 VAL A 17 -1.979 3.811 6.609 1.00 23.05 H new ATOM 0 HG22 VAL A 17 -1.172 3.595 8.181 1.00 23.05 H new ATOM 0 HG23 VAL A 17 -2.799 4.312 8.107 1.00 23.05 H new ATOM 271 N SER A 18 -0.981 8.691 8.469 1.00 32.44 N ATOM 272 CA SER A 18 -0.410 10.033 8.275 1.00 53.14 C ATOM 273 C SER A 18 0.045 10.658 9.607 1.00 33.43 C ATOM 274 O SER A 18 1.060 11.353 9.645 1.00 34.54 O ATOM 275 CB SER A 18 -1.429 10.956 7.575 1.00 22.13 C ATOM 276 OG SER A 18 -0.856 12.209 7.228 1.00 4.33 O ATOM 0 H SER A 18 -1.991 8.653 8.332 1.00 32.44 H new ATOM 0 HA SER A 18 0.470 9.926 7.641 1.00 53.14 H new ATOM 0 HB2 SER A 18 -1.805 10.467 6.676 1.00 22.13 H new ATOM 0 HB3 SER A 18 -2.284 11.117 8.231 1.00 22.13 H new ATOM 0 HG SER A 18 -1.530 12.766 6.786 1.00 4.33 H new ATOM 282 N LYS A 19 -0.723 10.417 10.688 1.00 25.44 N ATOM 283 CA LYS A 19 -0.401 10.951 12.028 1.00 42.25 C ATOM 284 C LYS A 19 0.803 10.212 12.642 1.00 63.23 C ATOM 285 O LYS A 19 1.651 10.825 13.302 1.00 33.32 O ATOM 286 CB LYS A 19 -1.634 10.858 12.960 1.00 22.21 C ATOM 287 CG LYS A 19 -1.417 11.401 14.395 1.00 61.33 C ATOM 288 CD LYS A 19 -0.983 12.896 14.446 1.00 75.21 C ATOM 289 CE LYS A 19 -1.990 13.855 13.788 1.00 73.42 C ATOM 290 NZ LYS A 19 -1.565 15.277 13.887 1.00 42.02 N ATOM 0 H LYS A 19 -1.573 9.854 10.660 1.00 25.44 H new ATOM 0 HA LYS A 19 -0.130 12.001 11.919 1.00 42.25 H new ATOM 0 HB2 LYS A 19 -2.458 11.405 12.502 1.00 22.21 H new ATOM 0 HB3 LYS A 19 -1.942 9.815 13.026 1.00 22.21 H new ATOM 0 HG2 LYS A 19 -2.341 11.282 14.961 1.00 61.33 H new ATOM 0 HG3 LYS A 19 -0.658 10.796 14.891 1.00 61.33 H new ATOM 0 HD2 LYS A 19 -0.842 13.189 15.486 1.00 75.21 H new ATOM 0 HD3 LYS A 19 -0.017 13.002 13.952 1.00 75.21 H new ATOM 0 HE2 LYS A 19 -2.111 13.587 12.738 1.00 73.42 H new ATOM 0 HE3 LYS A 19 -2.964 13.736 14.262 1.00 73.42 H new ATOM 0 HZ1 LYS A 19 -2.113 15.752 14.632 1.00 42.02 H new ATOM 0 HZ2 LYS A 19 -0.552 15.321 14.120 1.00 42.02 H new ATOM 0 HZ3 LYS A 19 -1.732 15.753 12.978 1.00 42.02 H new ATOM 304 N LYS A 20 0.848 8.893 12.429 1.00 32.02 N ATOM 305 CA LYS A 20 1.997 8.057 12.810 1.00 43.50 C ATOM 306 C LYS A 20 3.246 8.467 12.010 1.00 52.22 C ATOM 307 O LYS A 20 4.326 8.602 12.571 1.00 11.35 O ATOM 308 CB LYS A 20 1.662 6.568 12.597 1.00 44.13 C ATOM 309 CG LYS A 20 2.771 5.592 13.045 1.00 4.45 C ATOM 310 CD LYS A 20 2.264 4.149 13.124 1.00 51.54 C ATOM 311 CE LYS A 20 3.320 3.164 13.605 1.00 62.31 C ATOM 312 NZ LYS A 20 3.821 3.473 14.968 1.00 42.33 N ATOM 0 H LYS A 20 0.090 8.372 11.988 1.00 32.02 H new ATOM 0 HA LYS A 20 2.212 8.209 13.868 1.00 43.50 H new ATOM 0 HB2 LYS A 20 0.747 6.333 13.141 1.00 44.13 H new ATOM 0 HB3 LYS A 20 1.455 6.403 11.540 1.00 44.13 H new ATOM 0 HG2 LYS A 20 3.606 5.646 12.346 1.00 4.45 H new ATOM 0 HG3 LYS A 20 3.151 5.897 14.020 1.00 4.45 H new ATOM 0 HD2 LYS A 20 1.407 4.109 13.796 1.00 51.54 H new ATOM 0 HD3 LYS A 20 1.912 3.841 12.140 1.00 51.54 H new ATOM 0 HE2 LYS A 20 2.901 2.158 13.597 1.00 62.31 H new ATOM 0 HE3 LYS A 20 4.157 3.167 12.907 1.00 62.31 H new ATOM 0 HZ1 LYS A 20 4.839 3.680 14.925 1.00 42.33 H new ATOM 0 HZ2 LYS A 20 3.315 4.300 15.345 1.00 42.33 H new ATOM 0 HZ3 LYS A 20 3.660 2.656 15.591 1.00 42.33 H new ATOM 326 N ALA A 21 3.057 8.708 10.702 1.00 24.44 N ATOM 327 CA ALA A 21 4.118 9.191 9.800 1.00 75.51 C ATOM 328 C ALA A 21 4.645 10.559 10.260 1.00 42.44 C ATOM 329 O ALA A 21 5.834 10.842 10.154 1.00 64.02 O ATOM 330 CB ALA A 21 3.596 9.279 8.362 1.00 5.43 C ATOM 0 H ALA A 21 2.159 8.573 10.237 1.00 24.44 H new ATOM 0 HA ALA A 21 4.942 8.479 9.831 1.00 75.51 H new ATOM 0 HB1 ALA A 21 4.391 9.637 7.708 1.00 5.43 H new ATOM 0 HB2 ALA A 21 3.271 8.292 8.032 1.00 5.43 H new ATOM 0 HB3 ALA A 21 2.754 9.970 8.322 1.00 5.43 H new ATOM 336 N GLU A 22 3.731 11.387 10.786 1.00 2.12 N ATOM 337 CA GLU A 22 4.051 12.708 11.351 1.00 22.14 C ATOM 338 C GLU A 22 5.008 12.562 12.547 1.00 14.43 C ATOM 339 O GLU A 22 6.057 13.218 12.598 1.00 22.24 O ATOM 340 CB GLU A 22 2.741 13.426 11.760 1.00 42.24 C ATOM 341 CG GLU A 22 2.920 14.823 12.383 1.00 31.12 C ATOM 342 CD GLU A 22 1.590 15.508 12.738 1.00 54.51 C ATOM 343 OE1 GLU A 22 1.333 15.787 13.927 1.00 22.32 O ATOM 344 OE2 GLU A 22 0.772 15.739 11.824 1.00 71.03 O ATOM 0 H GLU A 22 2.738 11.157 10.832 1.00 2.12 H new ATOM 0 HA GLU A 22 4.556 13.313 10.598 1.00 22.14 H new ATOM 0 HB2 GLU A 22 2.107 13.519 10.878 1.00 42.24 H new ATOM 0 HB3 GLU A 22 2.208 12.795 12.471 1.00 42.24 H new ATOM 0 HG2 GLU A 22 3.527 14.736 13.284 1.00 31.12 H new ATOM 0 HG3 GLU A 22 3.471 15.455 11.687 1.00 31.12 H new ATOM 351 N GLU A 23 4.642 11.668 13.474 1.00 54.45 N ATOM 352 CA GLU A 23 5.437 11.366 14.673 1.00 72.54 C ATOM 353 C GLU A 23 6.798 10.720 14.336 1.00 35.40 C ATOM 354 O GLU A 23 7.785 10.938 15.046 1.00 23.20 O ATOM 355 CB GLU A 23 4.623 10.432 15.605 1.00 4.45 C ATOM 356 CG GLU A 23 3.354 11.077 16.203 1.00 65.04 C ATOM 357 CD GLU A 23 3.668 12.302 17.088 1.00 11.40 C ATOM 358 OE1 GLU A 23 4.055 12.110 18.263 1.00 55.30 O ATOM 359 OE2 GLU A 23 3.551 13.455 16.610 1.00 32.01 O ATOM 0 H GLU A 23 3.778 11.129 13.413 1.00 54.45 H new ATOM 0 HA GLU A 23 5.650 12.310 15.174 1.00 72.54 H new ATOM 0 HB2 GLU A 23 4.335 9.542 15.046 1.00 4.45 H new ATOM 0 HB3 GLU A 23 5.267 10.101 16.420 1.00 4.45 H new ATOM 0 HG2 GLU A 23 2.689 11.380 15.394 1.00 65.04 H new ATOM 0 HG3 GLU A 23 2.818 10.334 16.795 1.00 65.04 H new ATOM 366 N GLU A 24 6.842 9.922 13.255 1.00 54.43 N ATOM 367 CA GLU A 24 8.049 9.165 12.865 1.00 61.23 C ATOM 368 C GLU A 24 8.934 9.945 11.857 1.00 72.14 C ATOM 369 O GLU A 24 10.025 9.485 11.509 1.00 54.21 O ATOM 370 CB GLU A 24 7.637 7.795 12.273 1.00 41.13 C ATOM 371 CG GLU A 24 6.890 6.849 13.239 1.00 42.43 C ATOM 372 CD GLU A 24 7.693 6.488 14.501 1.00 45.24 C ATOM 373 OE1 GLU A 24 7.201 6.711 15.627 1.00 24.13 O ATOM 374 OE2 GLU A 24 8.824 5.978 14.373 1.00 21.51 O ATOM 0 H GLU A 24 6.049 9.783 12.629 1.00 54.43 H new ATOM 0 HA GLU A 24 8.648 9.013 13.763 1.00 61.23 H new ATOM 0 HB2 GLU A 24 7.004 7.971 11.403 1.00 41.13 H new ATOM 0 HB3 GLU A 24 8.534 7.288 11.918 1.00 41.13 H new ATOM 0 HG2 GLU A 24 5.952 7.317 13.538 1.00 42.43 H new ATOM 0 HG3 GLU A 24 6.633 5.932 12.708 1.00 42.43 H new ATOM 381 N GLY A 25 8.453 11.109 11.382 1.00 1.23 N ATOM 382 CA GLY A 25 9.220 11.959 10.455 1.00 55.44 C ATOM 383 C GLY A 25 9.196 11.476 9.001 1.00 4.04 C ATOM 384 O GLY A 25 10.096 11.798 8.222 1.00 4.45 O ATOM 0 H GLY A 25 7.535 11.482 11.626 1.00 1.23 H new ATOM 0 HA2 GLY A 25 8.824 12.974 10.497 1.00 55.44 H new ATOM 0 HA3 GLY A 25 10.255 12.007 10.794 1.00 55.44 H new ATOM 388 N TYR A 26 8.181 10.676 8.654 1.00 71.21 N ATOM 389 CA TYR A 26 7.942 10.197 7.285 1.00 1.22 C ATOM 390 C TYR A 26 7.034 11.167 6.514 1.00 72.11 C ATOM 391 O TYR A 26 5.883 11.386 6.909 1.00 34.42 O ATOM 392 CB TYR A 26 7.275 8.798 7.300 1.00 1.32 C ATOM 393 CG TYR A 26 8.092 7.687 7.953 1.00 70.11 C ATOM 394 CD1 TYR A 26 9.406 7.446 7.566 1.00 23.33 C ATOM 395 CD2 TYR A 26 7.534 6.850 8.923 1.00 73.41 C ATOM 396 CE1 TYR A 26 10.138 6.426 8.127 1.00 54.33 C ATOM 397 CE2 TYR A 26 8.267 5.829 9.491 1.00 73.42 C ATOM 398 CZ TYR A 26 9.566 5.623 9.085 1.00 13.32 C ATOM 399 OH TYR A 26 10.298 4.614 9.635 1.00 5.51 O ATOM 0 H TYR A 26 7.492 10.337 9.325 1.00 71.21 H new ATOM 0 HA TYR A 26 8.911 10.135 6.790 1.00 1.22 H new ATOM 0 HB2 TYR A 26 6.320 8.876 7.819 1.00 1.32 H new ATOM 0 HB3 TYR A 26 7.056 8.508 6.272 1.00 1.32 H new ATOM 0 HD1 TYR A 26 9.860 8.071 6.811 1.00 23.33 H new ATOM 0 HD2 TYR A 26 6.511 7.005 9.233 1.00 73.41 H new ATOM 0 HE1 TYR A 26 11.158 6.256 7.816 1.00 54.33 H new ATOM 0 HE2 TYR A 26 7.826 5.197 10.247 1.00 73.42 H new ATOM 0 HH TYR A 26 10.372 4.753 10.602 1.00 5.51 H new ATOM 409 N ASP A 27 7.551 11.751 5.427 1.00 23.15 N ATOM 410 CA ASP A 27 6.724 12.484 4.457 1.00 13.53 C ATOM 411 C ASP A 27 6.149 11.456 3.459 1.00 63.54 C ATOM 412 O ASP A 27 6.830 11.001 2.534 1.00 13.22 O ATOM 413 CB ASP A 27 7.541 13.622 3.754 1.00 45.54 C ATOM 414 CG ASP A 27 8.741 13.136 2.902 1.00 41.33 C ATOM 415 OD1 ASP A 27 9.726 12.640 3.477 1.00 21.01 O ATOM 416 OD2 ASP A 27 8.701 13.247 1.654 1.00 22.22 O ATOM 0 H ASP A 27 8.544 11.731 5.195 1.00 23.15 H new ATOM 0 HA ASP A 27 5.901 12.991 4.961 1.00 13.53 H new ATOM 0 HB2 ASP A 27 6.867 14.190 3.114 1.00 45.54 H new ATOM 0 HB3 ASP A 27 7.910 14.308 4.516 1.00 45.54 H new ATOM 421 N ILE A 28 4.924 10.985 3.730 1.00 2.00 N ATOM 422 CA ILE A 28 4.241 9.997 2.871 1.00 21.22 C ATOM 423 C ILE A 28 3.116 10.684 2.095 1.00 2.23 C ATOM 424 O ILE A 28 2.286 11.377 2.702 1.00 44.32 O ATOM 425 CB ILE A 28 3.638 8.805 3.703 1.00 61.01 C ATOM 426 CG1 ILE A 28 4.722 8.140 4.603 1.00 42.14 C ATOM 427 CG2 ILE A 28 2.984 7.759 2.772 1.00 33.12 C ATOM 428 CD1 ILE A 28 4.223 6.983 5.461 1.00 13.24 C ATOM 0 H ILE A 28 4.379 11.273 4.543 1.00 2.00 H new ATOM 0 HA ILE A 28 4.985 9.588 2.187 1.00 21.22 H new ATOM 0 HB ILE A 28 2.865 9.213 4.355 1.00 61.01 H new ATOM 0 HG12 ILE A 28 5.530 7.779 3.967 1.00 42.14 H new ATOM 0 HG13 ILE A 28 5.147 8.901 5.257 1.00 42.14 H new ATOM 0 HG21 ILE A 28 2.575 6.945 3.370 1.00 33.12 H new ATOM 0 HG22 ILE A 28 2.183 8.229 2.202 1.00 33.12 H new ATOM 0 HG23 ILE A 28 3.733 7.364 2.086 1.00 33.12 H new ATOM 0 HD11 ILE A 28 5.048 6.586 6.052 1.00 13.24 H new ATOM 0 HD12 ILE A 28 3.437 7.337 6.128 1.00 13.24 H new ATOM 0 HD13 ILE A 28 3.826 6.198 4.818 1.00 13.24 H new ATOM 440 N GLN A 29 3.082 10.494 0.761 1.00 25.20 N ATOM 441 CA GLN A 29 1.969 10.966 -0.062 1.00 54.32 C ATOM 442 C GLN A 29 0.775 10.023 0.158 1.00 53.01 C ATOM 443 O GLN A 29 0.771 8.894 -0.327 1.00 64.54 O ATOM 444 CB GLN A 29 2.367 11.006 -1.566 1.00 61.25 C ATOM 445 CG GLN A 29 1.251 11.544 -2.495 1.00 34.45 C ATOM 446 CD GLN A 29 0.883 13.008 -2.210 1.00 11.15 C ATOM 447 OE1 GLN A 29 1.740 13.821 -1.859 1.00 22.54 O ATOM 448 NE2 GLN A 29 -0.392 13.344 -2.308 1.00 50.43 N ATOM 0 H GLN A 29 3.816 10.016 0.238 1.00 25.20 H new ATOM 0 HA GLN A 29 1.701 11.982 0.229 1.00 54.32 H new ATOM 0 HB2 GLN A 29 3.254 11.629 -1.681 1.00 61.25 H new ATOM 0 HB3 GLN A 29 2.640 10.001 -1.887 1.00 61.25 H new ATOM 0 HG2 GLN A 29 1.574 11.452 -3.532 1.00 34.45 H new ATOM 0 HG3 GLN A 29 0.362 10.924 -2.382 1.00 34.45 H new ATOM 0 HE21 GLN A 29 -1.081 12.651 -2.601 1.00 50.43 H new ATOM 0 HE22 GLN A 29 -0.687 14.296 -2.091 1.00 50.43 H new ATOM 457 N THR A 30 -0.218 10.499 0.901 1.00 52.11 N ATOM 458 CA THR A 30 -1.439 9.746 1.193 1.00 63.12 C ATOM 459 C THR A 30 -2.538 10.202 0.218 1.00 53.34 C ATOM 460 O THR A 30 -2.763 11.408 0.067 1.00 20.15 O ATOM 461 CB THR A 30 -1.869 9.958 2.683 1.00 62.44 C ATOM 462 OG1 THR A 30 -1.932 11.365 2.988 1.00 43.32 O ATOM 463 CG2 THR A 30 -0.907 9.276 3.678 1.00 22.04 C ATOM 0 H THR A 30 -0.201 11.427 1.323 1.00 52.11 H new ATOM 0 HA THR A 30 -1.264 8.678 1.059 1.00 63.12 H new ATOM 0 HB THR A 30 -2.852 9.499 2.793 1.00 62.44 H new ATOM 0 HG1 THR A 30 -2.300 11.850 2.220 1.00 43.32 H new ATOM 0 HG21 THR A 30 -1.251 9.454 4.697 1.00 22.04 H new ATOM 0 HG22 THR A 30 -0.884 8.203 3.485 1.00 22.04 H new ATOM 0 HG23 THR A 30 0.095 9.688 3.556 1.00 22.04 H new ATOM 471 N SER A 31 -3.199 9.243 -0.447 1.00 2.13 N ATOM 472 CA SER A 31 -4.134 9.535 -1.546 1.00 75.04 C ATOM 473 C SER A 31 -5.203 8.434 -1.668 1.00 32.15 C ATOM 474 O SER A 31 -4.987 7.293 -1.243 1.00 41.13 O ATOM 475 CB SER A 31 -3.342 9.671 -2.874 1.00 32.03 C ATOM 476 OG SER A 31 -4.183 9.989 -3.970 1.00 62.55 O ATOM 0 H SER A 31 -3.102 8.249 -0.241 1.00 2.13 H new ATOM 0 HA SER A 31 -4.646 10.473 -1.332 1.00 75.04 H new ATOM 0 HB2 SER A 31 -2.583 10.445 -2.764 1.00 32.03 H new ATOM 0 HB3 SER A 31 -2.818 8.738 -3.079 1.00 32.03 H new ATOM 0 HG SER A 31 -4.845 10.656 -3.692 1.00 62.55 H new ATOM 482 N ASN A 32 -6.359 8.811 -2.238 1.00 13.14 N ATOM 483 CA ASN A 32 -7.440 7.878 -2.632 1.00 61.51 C ATOM 484 C ASN A 32 -7.441 7.694 -4.162 1.00 42.31 C ATOM 485 O ASN A 32 -8.083 6.770 -4.686 1.00 42.04 O ATOM 486 CB ASN A 32 -8.821 8.416 -2.176 1.00 4.14 C ATOM 487 CG ASN A 32 -8.945 8.594 -0.664 1.00 51.14 C ATOM 488 OD1 ASN A 32 -8.639 9.656 -0.123 1.00 4.43 O ATOM 489 ND2 ASN A 32 -9.392 7.558 0.032 1.00 20.32 N ATOM 0 H ASN A 32 -6.577 9.786 -2.443 1.00 13.14 H new ATOM 0 HA ASN A 32 -7.259 6.918 -2.148 1.00 61.51 H new ATOM 0 HB2 ASN A 32 -9.005 9.374 -2.662 1.00 4.14 H new ATOM 0 HB3 ASN A 32 -9.598 7.731 -2.517 1.00 4.14 H new ATOM 0 HD21 ASN A 32 -9.490 7.628 1.045 1.00 20.32 H new ATOM 0 HD22 ASN A 32 -9.638 6.691 -0.445 1.00 20.32 H new ATOM 496 N ASP A 33 -6.704 8.586 -4.860 1.00 33.53 N ATOM 497 CA ASP A 33 -6.689 8.679 -6.332 1.00 21.31 C ATOM 498 C ASP A 33 -5.874 7.531 -6.946 1.00 22.03 C ATOM 499 O ASP A 33 -4.721 7.723 -7.346 1.00 74.25 O ATOM 500 CB ASP A 33 -6.105 10.047 -6.783 1.00 54.14 C ATOM 501 CG ASP A 33 -6.829 11.255 -6.174 1.00 73.04 C ATOM 502 OD1 ASP A 33 -7.748 11.806 -6.820 1.00 50.31 O ATOM 503 OD2 ASP A 33 -6.491 11.654 -5.036 1.00 44.13 O ATOM 0 H ASP A 33 -6.096 9.269 -4.409 1.00 33.53 H new ATOM 0 HA ASP A 33 -7.717 8.599 -6.685 1.00 21.31 H new ATOM 0 HB2 ASP A 33 -5.051 10.090 -6.510 1.00 54.14 H new ATOM 0 HB3 ASP A 33 -6.156 10.114 -7.870 1.00 54.14 H new ATOM 508 N LYS A 34 -6.489 6.340 -7.025 1.00 50.33 N ATOM 509 CA LYS A 34 -5.825 5.116 -7.508 1.00 61.44 C ATOM 510 C LYS A 34 -5.332 5.280 -8.959 1.00 33.13 C ATOM 511 O LYS A 34 -4.273 4.774 -9.315 1.00 24.13 O ATOM 512 CB LYS A 34 -6.788 3.904 -7.373 1.00 61.43 C ATOM 513 CG LYS A 34 -7.962 3.890 -8.387 1.00 44.11 C ATOM 514 CD LYS A 34 -9.077 2.856 -8.074 1.00 72.53 C ATOM 515 CE LYS A 34 -10.027 3.282 -6.933 1.00 64.33 C ATOM 516 NZ LYS A 34 -9.345 3.473 -5.623 1.00 25.21 N ATOM 0 H LYS A 34 -7.462 6.197 -6.756 1.00 50.33 H new ATOM 0 HA LYS A 34 -4.946 4.932 -6.891 1.00 61.44 H new ATOM 0 HB2 LYS A 34 -6.213 2.986 -7.492 1.00 61.43 H new ATOM 0 HB3 LYS A 34 -7.198 3.895 -6.363 1.00 61.43 H new ATOM 0 HG2 LYS A 34 -8.407 4.885 -8.421 1.00 44.11 H new ATOM 0 HG3 LYS A 34 -7.564 3.685 -9.381 1.00 44.11 H new ATOM 0 HD2 LYS A 34 -9.664 2.685 -8.977 1.00 72.53 H new ATOM 0 HD3 LYS A 34 -8.613 1.905 -7.811 1.00 72.53 H new ATOM 0 HE2 LYS A 34 -10.522 4.212 -7.213 1.00 64.33 H new ATOM 0 HE3 LYS A 34 -10.806 2.528 -6.820 1.00 64.33 H new ATOM 0 HZ1 LYS A 34 -10.033 3.354 -4.853 1.00 25.21 H new ATOM 0 HZ2 LYS A 34 -8.586 2.770 -5.521 1.00 25.21 H new ATOM 0 HZ3 LYS A 34 -8.939 4.429 -5.579 1.00 25.21 H new ATOM 530 N LYS A 35 -6.098 6.050 -9.759 1.00 23.11 N ATOM 531 CA LYS A 35 -5.814 6.266 -11.185 1.00 52.23 C ATOM 532 C LYS A 35 -4.520 7.079 -11.355 1.00 53.23 C ATOM 533 O LYS A 35 -3.693 6.769 -12.219 1.00 14.13 O ATOM 534 CB LYS A 35 -7.004 6.990 -11.874 1.00 54.45 C ATOM 535 CG LYS A 35 -8.386 6.330 -11.658 1.00 74.31 C ATOM 536 CD LYS A 35 -8.474 4.879 -12.178 1.00 75.35 C ATOM 537 CE LYS A 35 -8.266 4.759 -13.701 1.00 24.25 C ATOM 538 NZ LYS A 35 -9.241 5.583 -14.474 1.00 61.21 N ATOM 0 H LYS A 35 -6.931 6.538 -9.430 1.00 23.11 H new ATOM 0 HA LYS A 35 -5.680 5.295 -11.662 1.00 52.23 H new ATOM 0 HB2 LYS A 35 -7.047 8.016 -11.507 1.00 54.45 H new ATOM 0 HB3 LYS A 35 -6.807 7.042 -12.945 1.00 54.45 H new ATOM 0 HG2 LYS A 35 -8.620 6.339 -10.593 1.00 74.31 H new ATOM 0 HG3 LYS A 35 -9.147 6.931 -12.156 1.00 74.31 H new ATOM 0 HD2 LYS A 35 -7.726 4.272 -11.668 1.00 75.35 H new ATOM 0 HD3 LYS A 35 -9.449 4.467 -11.919 1.00 75.35 H new ATOM 0 HE2 LYS A 35 -7.252 5.070 -13.952 1.00 24.25 H new ATOM 0 HE3 LYS A 35 -8.362 3.714 -13.997 1.00 24.25 H new ATOM 0 HZ1 LYS A 35 -9.128 5.392 -15.490 1.00 61.21 H new ATOM 0 HZ2 LYS A 35 -10.209 5.341 -14.181 1.00 61.21 H new ATOM 0 HZ3 LYS A 35 -9.066 6.592 -14.290 1.00 61.21 H new ATOM 552 N GLU A 36 -4.350 8.110 -10.501 1.00 14.01 N ATOM 553 CA GLU A 36 -3.149 8.955 -10.512 1.00 41.41 C ATOM 554 C GLU A 36 -1.922 8.130 -10.097 1.00 43.00 C ATOM 555 O GLU A 36 -0.908 8.135 -10.788 1.00 75.10 O ATOM 556 CB GLU A 36 -3.292 10.168 -9.561 1.00 12.33 C ATOM 557 CG GLU A 36 -2.083 11.135 -9.612 1.00 14.55 C ATOM 558 CD GLU A 36 -2.056 12.158 -8.473 1.00 62.23 C ATOM 559 OE1 GLU A 36 -2.535 13.295 -8.663 1.00 62.32 O ATOM 560 OE2 GLU A 36 -1.549 11.825 -7.386 1.00 52.24 O ATOM 0 H GLU A 36 -5.036 8.374 -9.794 1.00 14.01 H new ATOM 0 HA GLU A 36 -3.022 9.330 -11.528 1.00 41.41 H new ATOM 0 HB2 GLU A 36 -4.198 10.717 -9.818 1.00 12.33 H new ATOM 0 HB3 GLU A 36 -3.417 9.807 -8.540 1.00 12.33 H new ATOM 0 HG2 GLU A 36 -1.163 10.552 -9.585 1.00 14.55 H new ATOM 0 HG3 GLU A 36 -2.095 11.666 -10.564 1.00 14.55 H new ATOM 567 N ILE A 37 -2.062 7.397 -8.981 1.00 11.20 N ATOM 568 CA ILE A 37 -0.960 6.645 -8.353 1.00 75.14 C ATOM 569 C ILE A 37 -0.419 5.534 -9.296 1.00 4.40 C ATOM 570 O ILE A 37 0.797 5.329 -9.377 1.00 53.33 O ATOM 571 CB ILE A 37 -1.427 6.064 -6.966 1.00 44.23 C ATOM 572 CG1 ILE A 37 -1.933 7.206 -6.009 1.00 33.34 C ATOM 573 CG2 ILE A 37 -0.322 5.242 -6.283 1.00 2.15 C ATOM 574 CD1 ILE A 37 -0.983 8.380 -5.819 1.00 23.33 C ATOM 0 H ILE A 37 -2.949 7.308 -8.484 1.00 11.20 H new ATOM 0 HA ILE A 37 -0.131 7.329 -8.172 1.00 75.14 H new ATOM 0 HB ILE A 37 -2.260 5.392 -7.172 1.00 44.23 H new ATOM 0 HG12 ILE A 37 -2.878 7.587 -6.396 1.00 33.34 H new ATOM 0 HG13 ILE A 37 -2.141 6.770 -5.032 1.00 33.34 H new ATOM 0 HG21 ILE A 37 -0.688 4.861 -5.330 1.00 2.15 H new ATOM 0 HG22 ILE A 37 -0.041 4.406 -6.924 1.00 2.15 H new ATOM 0 HG23 ILE A 37 0.548 5.875 -6.110 1.00 2.15 H new ATOM 0 HD11 ILE A 37 -1.433 9.106 -5.142 1.00 23.33 H new ATOM 0 HD12 ILE A 37 -0.044 8.023 -5.397 1.00 23.33 H new ATOM 0 HD13 ILE A 37 -0.792 8.853 -6.782 1.00 23.33 H new ATOM 586 N ILE A 38 -1.338 4.868 -10.032 1.00 73.21 N ATOM 587 CA ILE A 38 -0.994 3.914 -11.120 1.00 61.03 C ATOM 588 C ILE A 38 -0.087 4.596 -12.174 1.00 30.51 C ATOM 589 O ILE A 38 0.930 4.032 -12.609 1.00 1.44 O ATOM 590 CB ILE A 38 -2.313 3.351 -11.804 1.00 32.03 C ATOM 591 CG1 ILE A 38 -3.043 2.346 -10.855 1.00 71.24 C ATOM 592 CG2 ILE A 38 -2.056 2.713 -13.195 1.00 33.25 C ATOM 593 CD1 ILE A 38 -4.328 1.752 -11.416 1.00 54.34 C ATOM 0 H ILE A 38 -2.342 4.975 -9.890 1.00 73.21 H new ATOM 0 HA ILE A 38 -0.447 3.078 -10.684 1.00 61.03 H new ATOM 0 HB ILE A 38 -2.962 4.210 -11.977 1.00 32.03 H new ATOM 0 HG12 ILE A 38 -2.358 1.532 -10.615 1.00 71.24 H new ATOM 0 HG13 ILE A 38 -3.274 2.855 -9.919 1.00 71.24 H new ATOM 0 HG21 ILE A 38 -2.997 2.348 -13.607 1.00 33.25 H new ATOM 0 HG22 ILE A 38 -1.631 3.460 -13.865 1.00 33.25 H new ATOM 0 HG23 ILE A 38 -1.359 1.881 -13.091 1.00 33.25 H new ATOM 0 HD11 ILE A 38 -4.761 1.068 -10.686 1.00 54.34 H new ATOM 0 HD12 ILE A 38 -5.037 2.553 -11.628 1.00 54.34 H new ATOM 0 HD13 ILE A 38 -4.107 1.210 -12.335 1.00 54.34 H new ATOM 605 N ASP A 39 -0.458 5.833 -12.539 1.00 64.15 N ATOM 606 CA ASP A 39 0.236 6.619 -13.572 1.00 4.13 C ATOM 607 C ASP A 39 1.621 7.104 -13.082 1.00 41.01 C ATOM 608 O ASP A 39 2.545 7.253 -13.877 1.00 10.45 O ATOM 609 CB ASP A 39 -0.645 7.817 -14.013 1.00 73.23 C ATOM 610 CG ASP A 39 -0.083 8.570 -15.230 1.00 53.43 C ATOM 611 OD1 ASP A 39 -0.137 8.032 -16.355 1.00 34.21 O ATOM 612 OD2 ASP A 39 0.414 9.703 -15.071 1.00 51.41 O ATOM 0 H ASP A 39 -1.253 6.319 -12.124 1.00 64.15 H new ATOM 0 HA ASP A 39 0.405 5.972 -14.433 1.00 4.13 H new ATOM 0 HB2 ASP A 39 -1.646 7.456 -14.249 1.00 73.23 H new ATOM 0 HB3 ASP A 39 -0.745 8.512 -13.179 1.00 73.23 H new ATOM 617 N ARG A 40 1.756 7.322 -11.759 1.00 12.02 N ATOM 618 CA ARG A 40 3.029 7.753 -11.139 1.00 41.13 C ATOM 619 C ARG A 40 4.014 6.567 -11.060 1.00 13.21 C ATOM 620 O ARG A 40 5.233 6.762 -11.101 1.00 1.22 O ATOM 621 CB ARG A 40 2.771 8.353 -9.733 1.00 74.23 C ATOM 622 CG ARG A 40 1.731 9.487 -9.725 1.00 62.22 C ATOM 623 CD ARG A 40 1.388 10.000 -8.317 1.00 30.34 C ATOM 624 NE ARG A 40 2.482 10.757 -7.683 1.00 70.33 N ATOM 625 CZ ARG A 40 2.318 11.632 -6.670 1.00 63.14 C ATOM 626 NH1 ARG A 40 1.110 11.879 -6.159 1.00 12.30 N ATOM 627 NH2 ARG A 40 3.357 12.279 -6.188 1.00 73.51 N ATOM 0 H ARG A 40 0.993 7.206 -11.092 1.00 12.02 H new ATOM 0 HA ARG A 40 3.477 8.528 -11.761 1.00 41.13 H new ATOM 0 HB2 ARG A 40 2.435 7.560 -9.065 1.00 74.23 H new ATOM 0 HB3 ARG A 40 3.711 8.731 -9.331 1.00 74.23 H new ATOM 0 HG2 ARG A 40 2.107 10.317 -10.323 1.00 62.22 H new ATOM 0 HG3 ARG A 40 0.819 9.135 -10.206 1.00 62.22 H new ATOM 0 HD2 ARG A 40 0.504 10.635 -8.376 1.00 30.34 H new ATOM 0 HD3 ARG A 40 1.129 9.152 -7.683 1.00 30.34 H new ATOM 0 HE ARG A 40 3.428 10.609 -8.034 1.00 70.33 H new ATOM 0 HH11 ARG A 40 0.290 11.402 -6.535 1.00 12.30 H new ATOM 0 HH12 ARG A 40 1.007 12.544 -5.393 1.00 12.30 H new ATOM 0 HH21 ARG A 40 4.285 12.118 -6.580 1.00 73.51 H new ATOM 0 HH22 ARG A 40 3.235 12.941 -5.422 1.00 73.51 H new ATOM 641 N LEU A 41 3.463 5.338 -10.936 1.00 64.14 N ATOM 642 CA LEU A 41 4.237 4.088 -11.070 1.00 20.32 C ATOM 643 C LEU A 41 4.793 3.970 -12.507 1.00 62.41 C ATOM 644 O LEU A 41 5.953 3.587 -12.696 1.00 41.22 O ATOM 645 CB LEU A 41 3.352 2.860 -10.712 1.00 43.24 C ATOM 646 CG LEU A 41 2.862 2.781 -9.228 1.00 72.31 C ATOM 647 CD1 LEU A 41 1.762 1.718 -9.043 1.00 12.44 C ATOM 648 CD2 LEU A 41 4.045 2.523 -8.274 1.00 3.12 C ATOM 0 H LEU A 41 2.473 5.188 -10.741 1.00 64.14 H new ATOM 0 HA LEU A 41 5.075 4.110 -10.374 1.00 20.32 H new ATOM 0 HB2 LEU A 41 2.478 2.864 -11.363 1.00 43.24 H new ATOM 0 HB3 LEU A 41 3.914 1.953 -10.938 1.00 43.24 H new ATOM 0 HG LEU A 41 2.423 3.747 -8.977 1.00 72.31 H new ATOM 0 HD11 LEU A 41 1.450 1.695 -7.999 1.00 12.44 H new ATOM 0 HD12 LEU A 41 0.907 1.966 -9.672 1.00 12.44 H new ATOM 0 HD13 LEU A 41 2.150 0.740 -9.327 1.00 12.44 H new ATOM 0 HD21 LEU A 41 3.681 2.472 -7.248 1.00 3.12 H new ATOM 0 HD22 LEU A 41 4.525 1.580 -8.536 1.00 3.12 H new ATOM 0 HD23 LEU A 41 4.767 3.334 -8.362 1.00 3.12 H new ATOM 660 N LYS A 42 3.945 4.331 -13.510 1.00 21.32 N ATOM 661 CA LYS A 42 4.352 4.400 -14.942 1.00 1.20 C ATOM 662 C LYS A 42 5.508 5.405 -15.144 1.00 2.45 C ATOM 663 O LYS A 42 6.423 5.170 -15.939 1.00 33.04 O ATOM 664 CB LYS A 42 3.161 4.811 -15.855 1.00 13.35 C ATOM 665 CG LYS A 42 1.943 3.864 -15.825 1.00 31.13 C ATOM 666 CD LYS A 42 0.776 4.383 -16.697 1.00 63.21 C ATOM 667 CE LYS A 42 -0.473 3.490 -16.628 1.00 2.20 C ATOM 668 NZ LYS A 42 -0.247 2.139 -17.214 1.00 74.14 N ATOM 0 H LYS A 42 2.969 4.580 -13.351 1.00 21.32 H new ATOM 0 HA LYS A 42 4.686 3.401 -15.222 1.00 1.20 H new ATOM 0 HB2 LYS A 42 2.831 5.808 -15.565 1.00 13.35 H new ATOM 0 HB3 LYS A 42 3.520 4.880 -16.882 1.00 13.35 H new ATOM 0 HG2 LYS A 42 2.244 2.877 -16.175 1.00 31.13 H new ATOM 0 HG3 LYS A 42 1.601 3.747 -14.797 1.00 31.13 H new ATOM 0 HD2 LYS A 42 0.512 5.391 -16.378 1.00 63.21 H new ATOM 0 HD3 LYS A 42 1.108 4.453 -17.733 1.00 63.21 H new ATOM 0 HE2 LYS A 42 -0.781 3.383 -15.588 1.00 2.20 H new ATOM 0 HE3 LYS A 42 -1.293 3.978 -17.155 1.00 2.20 H new ATOM 0 HZ1 LYS A 42 -0.780 2.053 -18.103 1.00 74.14 H new ATOM 0 HZ2 LYS A 42 0.767 2.008 -17.404 1.00 74.14 H new ATOM 0 HZ3 LYS A 42 -0.570 1.412 -16.545 1.00 74.14 H new ATOM 682 N ARG A 43 5.448 6.522 -14.395 1.00 22.11 N ATOM 683 CA ARG A 43 6.437 7.618 -14.485 1.00 22.12 C ATOM 684 C ARG A 43 7.728 7.327 -13.691 1.00 75.35 C ATOM 685 O ARG A 43 8.673 8.122 -13.764 1.00 11.23 O ATOM 686 CB ARG A 43 5.816 8.935 -13.958 1.00 22.33 C ATOM 687 CG ARG A 43 4.624 9.476 -14.756 1.00 74.42 C ATOM 688 CD ARG A 43 4.085 10.789 -14.162 1.00 1.32 C ATOM 689 NE ARG A 43 2.895 11.268 -14.873 1.00 73.40 N ATOM 690 CZ ARG A 43 2.457 12.531 -14.883 1.00 52.21 C ATOM 691 NH1 ARG A 43 3.104 13.491 -14.225 1.00 62.04 N ATOM 692 NH2 ARG A 43 1.360 12.824 -15.564 1.00 63.24 N ATOM 0 H ARG A 43 4.713 6.692 -13.709 1.00 22.11 H new ATOM 0 HA ARG A 43 6.705 7.709 -15.538 1.00 22.12 H new ATOM 0 HB2 ARG A 43 5.498 8.778 -12.927 1.00 22.33 H new ATOM 0 HB3 ARG A 43 6.593 9.699 -13.939 1.00 22.33 H new ATOM 0 HG2 ARG A 43 4.925 9.642 -15.790 1.00 74.42 H new ATOM 0 HG3 ARG A 43 3.829 8.731 -14.771 1.00 74.42 H new ATOM 0 HD2 ARG A 43 3.842 10.638 -13.110 1.00 1.32 H new ATOM 0 HD3 ARG A 43 4.863 11.551 -14.203 1.00 1.32 H new ATOM 0 HE ARG A 43 2.358 10.582 -15.403 1.00 73.40 H new ATOM 0 HH11 ARG A 43 3.950 13.269 -13.701 1.00 62.04 H new ATOM 0 HH12 ARG A 43 2.753 14.449 -14.245 1.00 62.04 H new ATOM 0 HH21 ARG A 43 0.863 12.091 -16.070 1.00 63.24 H new ATOM 0 HH22 ARG A 43 1.012 13.783 -15.582 1.00 63.24 H new ATOM 706 N ARG A 44 7.735 6.229 -12.893 1.00 1.32 N ATOM 707 CA ARG A 44 8.853 5.890 -11.973 1.00 20.43 C ATOM 708 C ARG A 44 8.999 6.930 -10.831 1.00 63.51 C ATOM 709 O ARG A 44 10.020 6.967 -10.143 1.00 10.44 O ATOM 710 CB ARG A 44 10.204 5.695 -12.747 1.00 31.31 C ATOM 711 CG ARG A 44 10.473 4.266 -13.256 1.00 64.40 C ATOM 712 CD ARG A 44 10.559 3.253 -12.098 1.00 34.31 C ATOM 713 NE ARG A 44 11.432 3.726 -11.004 1.00 61.00 N ATOM 714 CZ ARG A 44 11.648 3.087 -9.844 1.00 65.21 C ATOM 715 NH1 ARG A 44 11.081 1.913 -9.579 1.00 44.11 N ATOM 716 NH2 ARG A 44 12.424 3.650 -8.940 1.00 13.44 N ATOM 0 H ARG A 44 6.969 5.556 -12.868 1.00 1.32 H new ATOM 0 HA ARG A 44 8.602 4.936 -11.510 1.00 20.43 H new ATOM 0 HB2 ARG A 44 10.216 6.374 -13.599 1.00 31.31 H new ATOM 0 HB3 ARG A 44 11.024 5.990 -12.092 1.00 31.31 H new ATOM 0 HG2 ARG A 44 9.679 3.969 -13.941 1.00 64.40 H new ATOM 0 HG3 ARG A 44 11.404 4.251 -13.822 1.00 64.40 H new ATOM 0 HD2 ARG A 44 9.559 3.066 -11.707 1.00 34.31 H new ATOM 0 HD3 ARG A 44 10.936 2.303 -12.476 1.00 34.31 H new ATOM 0 HE ARG A 44 11.912 4.615 -11.142 1.00 61.00 H new ATOM 0 HH11 ARG A 44 10.465 1.477 -10.266 1.00 44.11 H new ATOM 0 HH12 ARG A 44 11.262 1.448 -8.689 1.00 44.11 H new ATOM 0 HH21 ARG A 44 12.850 4.558 -9.127 1.00 13.44 H new ATOM 0 HH22 ARG A 44 12.599 3.178 -8.053 1.00 13.44 H new ATOM 730 N ASN A 45 7.938 7.725 -10.617 1.00 63.51 N ATOM 731 CA ASN A 45 7.897 8.799 -9.602 1.00 43.13 C ATOM 732 C ASN A 45 7.817 8.234 -8.172 1.00 73.10 C ATOM 733 O ASN A 45 8.165 8.925 -7.212 1.00 55.14 O ATOM 734 CB ASN A 45 6.690 9.744 -9.894 1.00 51.40 C ATOM 735 CG ASN A 45 6.910 10.730 -11.051 1.00 34.23 C ATOM 736 OD1 ASN A 45 6.271 11.780 -11.103 1.00 34.31 O ATOM 737 ND2 ASN A 45 7.814 10.428 -11.980 1.00 21.10 N ATOM 0 H ASN A 45 7.072 7.642 -11.149 1.00 63.51 H new ATOM 0 HA ASN A 45 8.825 9.367 -9.666 1.00 43.13 H new ATOM 0 HB2 ASN A 45 5.814 9.134 -10.116 1.00 51.40 H new ATOM 0 HB3 ASN A 45 6.463 10.310 -8.991 1.00 51.40 H new ATOM 0 HD21 ASN A 45 7.987 11.072 -12.752 1.00 21.10 H new ATOM 0 HD22 ASN A 45 8.334 9.553 -11.920 1.00 21.10 H new ATOM 744 N ILE A 46 7.353 6.977 -8.045 1.00 14.41 N ATOM 745 CA ILE A 46 7.192 6.296 -6.744 1.00 21.50 C ATOM 746 C ILE A 46 8.312 5.256 -6.559 1.00 13.05 C ATOM 747 O ILE A 46 8.514 4.407 -7.433 1.00 41.41 O ATOM 748 CB ILE A 46 5.784 5.592 -6.642 1.00 22.53 C ATOM 749 CG1 ILE A 46 4.640 6.603 -6.959 1.00 13.14 C ATOM 750 CG2 ILE A 46 5.579 4.948 -5.246 1.00 30.22 C ATOM 751 CD1 ILE A 46 3.230 6.025 -6.927 1.00 11.32 C ATOM 0 H ILE A 46 7.078 6.403 -8.842 1.00 14.41 H new ATOM 0 HA ILE A 46 7.256 7.045 -5.955 1.00 21.50 H new ATOM 0 HB ILE A 46 5.753 4.794 -7.384 1.00 22.53 H new ATOM 0 HG12 ILE A 46 4.695 7.423 -6.244 1.00 13.14 H new ATOM 0 HG13 ILE A 46 4.818 7.029 -7.947 1.00 13.14 H new ATOM 0 HG21 ILE A 46 4.600 4.471 -5.206 1.00 30.22 H new ATOM 0 HG22 ILE A 46 6.354 4.202 -5.072 1.00 30.22 H new ATOM 0 HG23 ILE A 46 5.639 5.719 -4.477 1.00 30.22 H new ATOM 0 HD11 ILE A 46 2.510 6.809 -7.161 1.00 11.32 H new ATOM 0 HD12 ILE A 46 3.148 5.226 -7.663 1.00 11.32 H new ATOM 0 HD13 ILE A 46 3.023 5.626 -5.934 1.00 11.32 H new ATOM 763 N ASP A 47 9.047 5.341 -5.427 1.00 5.31 N ATOM 764 CA ASP A 47 10.086 4.345 -5.071 1.00 32.42 C ATOM 765 C ASP A 47 9.439 3.140 -4.383 1.00 2.42 C ATOM 766 O ASP A 47 9.734 1.984 -4.703 1.00 3.14 O ATOM 767 CB ASP A 47 11.165 4.968 -4.142 1.00 61.42 C ATOM 768 CG ASP A 47 12.171 3.929 -3.580 1.00 4.11 C ATOM 769 OD1 ASP A 47 12.061 3.539 -2.395 1.00 33.20 O ATOM 770 OD2 ASP A 47 13.061 3.474 -4.332 1.00 41.03 O ATOM 0 H ASP A 47 8.940 6.090 -4.743 1.00 5.31 H new ATOM 0 HA ASP A 47 10.574 4.020 -5.990 1.00 32.42 H new ATOM 0 HB2 ASP A 47 11.713 5.731 -4.695 1.00 61.42 H new ATOM 0 HB3 ASP A 47 10.671 5.471 -3.310 1.00 61.42 H new ATOM 775 N MET A 48 8.560 3.435 -3.422 1.00 35.11 N ATOM 776 CA MET A 48 7.903 2.425 -2.587 1.00 51.53 C ATOM 777 C MET A 48 6.466 2.866 -2.286 1.00 22.32 C ATOM 778 O MET A 48 6.205 4.047 -2.050 1.00 51.23 O ATOM 779 CB MET A 48 8.732 2.180 -1.293 1.00 64.04 C ATOM 780 CG MET A 48 8.954 3.411 -0.406 1.00 74.30 C ATOM 781 SD MET A 48 10.255 3.181 0.838 1.00 22.12 S ATOM 782 CE MET A 48 9.722 1.704 1.708 1.00 53.03 C ATOM 0 H MET A 48 8.281 4.391 -3.199 1.00 35.11 H new ATOM 0 HA MET A 48 7.853 1.475 -3.119 1.00 51.53 H new ATOM 0 HB2 MET A 48 8.231 1.414 -0.702 1.00 64.04 H new ATOM 0 HB3 MET A 48 9.705 1.778 -1.577 1.00 64.04 H new ATOM 0 HG2 MET A 48 9.212 4.262 -1.037 1.00 74.30 H new ATOM 0 HG3 MET A 48 8.020 3.659 0.098 1.00 74.30 H new ATOM 0 HE1 MET A 48 10.124 1.714 2.721 1.00 53.03 H new ATOM 0 HE2 MET A 48 8.633 1.679 1.750 1.00 53.03 H new ATOM 0 HE3 MET A 48 10.085 0.821 1.182 1.00 53.03 H new ATOM 792 N ILE A 49 5.539 1.909 -2.312 1.00 40.30 N ATOM 793 CA ILE A 49 4.095 2.165 -2.241 1.00 63.50 C ATOM 794 C ILE A 49 3.428 1.131 -1.324 1.00 13.04 C ATOM 795 O ILE A 49 3.803 -0.045 -1.318 1.00 64.15 O ATOM 796 CB ILE A 49 3.447 2.145 -3.685 1.00 50.35 C ATOM 797 CG1 ILE A 49 1.902 2.378 -3.630 1.00 51.15 C ATOM 798 CG2 ILE A 49 3.797 0.842 -4.435 1.00 13.24 C ATOM 799 CD1 ILE A 49 1.195 2.330 -4.976 1.00 13.23 C ATOM 0 H ILE A 49 5.770 0.918 -2.384 1.00 40.30 H new ATOM 0 HA ILE A 49 3.934 3.158 -1.822 1.00 63.50 H new ATOM 0 HB ILE A 49 3.875 2.975 -4.247 1.00 50.35 H new ATOM 0 HG12 ILE A 49 1.460 1.625 -2.977 1.00 51.15 H new ATOM 0 HG13 ILE A 49 1.712 3.349 -3.172 1.00 51.15 H new ATOM 0 HG21 ILE A 49 3.338 0.857 -5.424 1.00 13.24 H new ATOM 0 HG22 ILE A 49 4.879 0.761 -4.538 1.00 13.24 H new ATOM 0 HG23 ILE A 49 3.421 -0.013 -3.873 1.00 13.24 H new ATOM 0 HD11 ILE A 49 0.128 2.503 -4.833 1.00 13.23 H new ATOM 0 HD12 ILE A 49 1.603 3.101 -5.629 1.00 13.23 H new ATOM 0 HD13 ILE A 49 1.346 1.351 -5.432 1.00 13.23 H new ATOM 811 N ILE A 50 2.465 1.591 -0.522 1.00 45.44 N ATOM 812 CA ILE A 50 1.699 0.751 0.404 1.00 64.13 C ATOM 813 C ILE A 50 0.202 0.995 0.144 1.00 64.22 C ATOM 814 O ILE A 50 -0.276 2.123 0.288 1.00 65.32 O ATOM 815 CB ILE A 50 2.081 1.072 1.901 1.00 70.04 C ATOM 816 CG1 ILE A 50 3.624 0.910 2.117 1.00 72.35 C ATOM 817 CG2 ILE A 50 1.278 0.185 2.882 1.00 41.24 C ATOM 818 CD1 ILE A 50 4.136 1.251 3.504 1.00 3.15 C ATOM 0 H ILE A 50 2.191 2.573 -0.497 1.00 45.44 H new ATOM 0 HA ILE A 50 1.933 -0.300 0.237 1.00 64.13 H new ATOM 0 HB ILE A 50 1.817 2.109 2.109 1.00 70.04 H new ATOM 0 HG12 ILE A 50 3.897 -0.121 1.893 1.00 72.35 H new ATOM 0 HG13 ILE A 50 4.141 1.541 1.394 1.00 72.35 H new ATOM 0 HG21 ILE A 50 1.561 0.427 3.906 1.00 41.24 H new ATOM 0 HG22 ILE A 50 0.212 0.367 2.747 1.00 41.24 H new ATOM 0 HG23 ILE A 50 1.495 -0.865 2.684 1.00 41.24 H new ATOM 0 HD11 ILE A 50 5.215 1.103 3.540 1.00 3.15 H new ATOM 0 HD12 ILE A 50 3.905 2.292 3.732 1.00 3.15 H new ATOM 0 HD13 ILE A 50 3.656 0.604 4.238 1.00 3.15 H new ATOM 830 N VAL A 51 -0.524 -0.056 -0.279 1.00 51.22 N ATOM 831 CA VAL A 51 -1.943 0.044 -0.666 1.00 2.00 C ATOM 832 C VAL A 51 -2.841 -0.648 0.378 1.00 34.25 C ATOM 833 O VAL A 51 -2.639 -1.824 0.682 1.00 64.33 O ATOM 834 CB VAL A 51 -2.193 -0.590 -2.087 1.00 45.34 C ATOM 835 CG1 VAL A 51 -3.668 -0.440 -2.541 1.00 25.44 C ATOM 836 CG2 VAL A 51 -1.237 0.012 -3.140 1.00 75.02 C ATOM 0 H VAL A 51 -0.143 -0.999 -0.362 1.00 51.22 H new ATOM 0 HA VAL A 51 -2.198 1.103 -0.710 1.00 2.00 H new ATOM 0 HB VAL A 51 -1.985 -1.656 -1.999 1.00 45.34 H new ATOM 0 HG11 VAL A 51 -3.793 -0.891 -3.525 1.00 25.44 H new ATOM 0 HG12 VAL A 51 -4.321 -0.941 -1.826 1.00 25.44 H new ATOM 0 HG13 VAL A 51 -3.928 0.617 -2.591 1.00 25.44 H new ATOM 0 HG21 VAL A 51 -1.432 -0.444 -4.111 1.00 75.02 H new ATOM 0 HG22 VAL A 51 -1.399 1.088 -3.205 1.00 75.02 H new ATOM 0 HG23 VAL A 51 -0.205 -0.183 -2.848 1.00 75.02 H new ATOM 846 N LYS A 52 -3.828 0.092 0.923 1.00 53.12 N ATOM 847 CA LYS A 52 -4.863 -0.466 1.808 1.00 73.40 C ATOM 848 C LYS A 52 -6.243 -0.319 1.138 1.00 10.24 C ATOM 849 O LYS A 52 -6.774 0.790 1.021 1.00 2.53 O ATOM 850 CB LYS A 52 -4.842 0.227 3.198 1.00 62.31 C ATOM 851 CG LYS A 52 -5.962 -0.233 4.172 1.00 65.10 C ATOM 852 CD LYS A 52 -5.918 -1.741 4.494 1.00 14.41 C ATOM 853 CE LYS A 52 -7.023 -2.177 5.472 1.00 22.33 C ATOM 854 NZ LYS A 52 -8.388 -1.861 4.979 1.00 22.44 N ATOM 0 H LYS A 52 -3.927 1.094 0.760 1.00 53.12 H new ATOM 0 HA LYS A 52 -4.658 -1.524 1.970 1.00 73.40 H new ATOM 0 HB2 LYS A 52 -3.875 0.043 3.666 1.00 62.31 H new ATOM 0 HB3 LYS A 52 -4.926 1.304 3.053 1.00 62.31 H new ATOM 0 HG2 LYS A 52 -5.879 0.331 5.101 1.00 65.10 H new ATOM 0 HG3 LYS A 52 -6.932 0.009 3.738 1.00 65.10 H new ATOM 0 HD2 LYS A 52 -6.015 -2.308 3.568 1.00 14.41 H new ATOM 0 HD3 LYS A 52 -4.945 -1.988 4.919 1.00 14.41 H new ATOM 0 HE2 LYS A 52 -6.944 -3.250 5.646 1.00 22.33 H new ATOM 0 HE3 LYS A 52 -6.866 -1.686 6.432 1.00 22.33 H new ATOM 0 HZ1 LYS A 52 -9.093 -2.251 5.636 1.00 22.44 H new ATOM 0 HZ2 LYS A 52 -8.505 -0.829 4.918 1.00 22.44 H new ATOM 0 HZ3 LYS A 52 -8.523 -2.281 4.037 1.00 22.44 H new ATOM 868 N THR A 53 -6.789 -1.449 0.679 1.00 32.43 N ATOM 869 CA THR A 53 -8.146 -1.544 0.118 1.00 45.25 C ATOM 870 C THR A 53 -8.545 -3.026 0.047 1.00 4.04 C ATOM 871 O THR A 53 -7.680 -3.907 -0.025 1.00 63.13 O ATOM 872 CB THR A 53 -8.273 -0.859 -1.299 1.00 41.21 C ATOM 873 OG1 THR A 53 -9.622 -0.959 -1.793 1.00 24.51 O ATOM 874 CG2 THR A 53 -7.313 -1.457 -2.335 1.00 74.10 C ATOM 0 H THR A 53 -6.294 -2.341 0.686 1.00 32.43 H new ATOM 0 HA THR A 53 -8.825 -1.000 0.774 1.00 45.25 H new ATOM 0 HB THR A 53 -8.003 0.187 -1.157 1.00 41.21 H new ATOM 0 HG1 THR A 53 -9.682 -0.528 -2.671 1.00 24.51 H new ATOM 0 HG21 THR A 53 -7.445 -0.948 -3.290 1.00 74.10 H new ATOM 0 HG22 THR A 53 -6.285 -1.330 -1.995 1.00 74.10 H new ATOM 0 HG23 THR A 53 -7.526 -2.519 -2.458 1.00 74.10 H new ATOM 882 N GLU A 54 -9.855 -3.305 0.118 1.00 2.23 N ATOM 883 CA GLU A 54 -10.393 -4.679 0.019 1.00 4.13 C ATOM 884 C GLU A 54 -10.784 -5.013 -1.435 1.00 12.13 C ATOM 885 O GLU A 54 -11.296 -6.101 -1.715 1.00 30.25 O ATOM 886 CB GLU A 54 -11.608 -4.868 0.979 1.00 32.23 C ATOM 887 CG GLU A 54 -11.253 -5.016 2.482 1.00 52.14 C ATOM 888 CD GLU A 54 -10.625 -3.761 3.111 1.00 30.32 C ATOM 889 OE1 GLU A 54 -9.382 -3.653 3.136 1.00 31.34 O ATOM 890 OE2 GLU A 54 -11.372 -2.879 3.585 1.00 21.42 O ATOM 0 H GLU A 54 -10.572 -2.591 0.245 1.00 2.23 H new ATOM 0 HA GLU A 54 -9.609 -5.372 0.324 1.00 4.13 H new ATOM 0 HB2 GLU A 54 -12.277 -4.015 0.864 1.00 32.23 H new ATOM 0 HB3 GLU A 54 -12.163 -5.752 0.666 1.00 32.23 H new ATOM 0 HG2 GLU A 54 -12.158 -5.270 3.034 1.00 52.14 H new ATOM 0 HG3 GLU A 54 -10.563 -5.851 2.600 1.00 52.14 H new ATOM 897 N ASP A 55 -10.539 -4.075 -2.361 1.00 33.11 N ATOM 898 CA ASP A 55 -10.800 -4.286 -3.787 1.00 72.44 C ATOM 899 C ASP A 55 -9.568 -4.967 -4.418 1.00 34.33 C ATOM 900 O ASP A 55 -8.642 -4.299 -4.887 1.00 74.35 O ATOM 901 CB ASP A 55 -11.140 -2.934 -4.466 1.00 33.14 C ATOM 902 CG ASP A 55 -11.758 -3.088 -5.872 1.00 44.44 C ATOM 903 OD1 ASP A 55 -11.049 -3.503 -6.812 1.00 74.02 O ATOM 904 OD2 ASP A 55 -12.955 -2.773 -6.047 1.00 62.42 O ATOM 0 H ASP A 55 -10.157 -3.155 -2.142 1.00 33.11 H new ATOM 0 HA ASP A 55 -11.661 -4.939 -3.931 1.00 72.44 H new ATOM 0 HB2 ASP A 55 -11.834 -2.382 -3.832 1.00 33.14 H new ATOM 0 HB3 ASP A 55 -10.232 -2.336 -4.541 1.00 33.14 H new ATOM 909 N LYS A 56 -9.573 -6.314 -4.400 1.00 72.03 N ATOM 910 CA LYS A 56 -8.430 -7.152 -4.834 1.00 33.54 C ATOM 911 C LYS A 56 -8.088 -6.952 -6.325 1.00 51.01 C ATOM 912 O LYS A 56 -6.930 -7.139 -6.731 1.00 72.43 O ATOM 913 CB LYS A 56 -8.720 -8.650 -4.522 1.00 12.12 C ATOM 914 CG LYS A 56 -10.024 -9.194 -5.140 1.00 61.42 C ATOM 915 CD LYS A 56 -10.411 -10.589 -4.605 1.00 53.12 C ATOM 916 CE LYS A 56 -11.782 -11.055 -5.130 1.00 25.33 C ATOM 917 NZ LYS A 56 -12.876 -10.093 -4.804 1.00 31.31 N ATOM 0 H LYS A 56 -10.375 -6.859 -4.082 1.00 72.03 H new ATOM 0 HA LYS A 56 -7.553 -6.834 -4.270 1.00 33.54 H new ATOM 0 HB2 LYS A 56 -7.885 -9.251 -4.882 1.00 12.12 H new ATOM 0 HB3 LYS A 56 -8.764 -8.780 -3.441 1.00 12.12 H new ATOM 0 HG2 LYS A 56 -10.835 -8.495 -4.936 1.00 61.42 H new ATOM 0 HG3 LYS A 56 -9.912 -9.245 -6.223 1.00 61.42 H new ATOM 0 HD2 LYS A 56 -9.648 -11.312 -4.895 1.00 53.12 H new ATOM 0 HD3 LYS A 56 -10.430 -10.566 -3.515 1.00 53.12 H new ATOM 0 HE2 LYS A 56 -11.728 -11.186 -6.211 1.00 25.33 H new ATOM 0 HE3 LYS A 56 -12.019 -12.029 -4.702 1.00 25.33 H new ATOM 0 HZ1 LYS A 56 -13.797 -10.549 -4.961 1.00 31.31 H new ATOM 0 HZ2 LYS A 56 -12.798 -9.803 -3.808 1.00 31.31 H new ATOM 0 HZ3 LYS A 56 -12.796 -9.256 -5.415 1.00 31.31 H new ATOM 931 N GLU A 57 -9.105 -6.557 -7.125 1.00 54.30 N ATOM 932 CA GLU A 57 -8.940 -6.299 -8.562 1.00 11.33 C ATOM 933 C GLU A 57 -8.033 -5.079 -8.785 1.00 24.14 C ATOM 934 O GLU A 57 -7.061 -5.155 -9.548 1.00 44.01 O ATOM 935 CB GLU A 57 -10.310 -6.087 -9.255 1.00 1.02 C ATOM 936 CG GLU A 57 -11.276 -7.280 -9.128 1.00 64.30 C ATOM 937 CD GLU A 57 -12.547 -7.116 -9.981 1.00 5.32 C ATOM 938 OE1 GLU A 57 -12.637 -7.735 -11.063 1.00 32.35 O ATOM 939 OE2 GLU A 57 -13.446 -6.342 -9.585 1.00 42.11 O ATOM 0 H GLU A 57 -10.057 -6.411 -6.788 1.00 54.30 H new ATOM 0 HA GLU A 57 -8.469 -7.175 -9.009 1.00 11.33 H new ATOM 0 HB2 GLU A 57 -10.786 -5.203 -8.831 1.00 1.02 H new ATOM 0 HB3 GLU A 57 -10.141 -5.882 -10.312 1.00 1.02 H new ATOM 0 HG2 GLU A 57 -10.760 -8.192 -9.426 1.00 64.30 H new ATOM 0 HG3 GLU A 57 -11.559 -7.402 -8.083 1.00 64.30 H new ATOM 946 N SER A 58 -8.337 -3.977 -8.072 1.00 44.43 N ATOM 947 CA SER A 58 -7.591 -2.712 -8.200 1.00 52.03 C ATOM 948 C SER A 58 -6.159 -2.885 -7.670 1.00 1.34 C ATOM 949 O SER A 58 -5.209 -2.403 -8.295 1.00 61.33 O ATOM 950 CB SER A 58 -8.319 -1.564 -7.462 1.00 73.00 C ATOM 951 OG SER A 58 -8.379 -1.788 -6.065 1.00 12.12 O ATOM 0 H SER A 58 -9.100 -3.939 -7.397 1.00 44.43 H new ATOM 0 HA SER A 58 -7.539 -2.447 -9.256 1.00 52.03 H new ATOM 0 HB2 SER A 58 -7.804 -0.623 -7.657 1.00 73.00 H new ATOM 0 HB3 SER A 58 -9.330 -1.462 -7.857 1.00 73.00 H new ATOM 0 HG SER A 58 -8.457 -2.749 -5.891 1.00 12.12 H new ATOM 957 N ILE A 59 -6.031 -3.629 -6.541 1.00 65.00 N ATOM 958 CA ILE A 59 -4.730 -3.974 -5.927 1.00 51.33 C ATOM 959 C ILE A 59 -3.792 -4.599 -6.977 1.00 4.15 C ATOM 960 O ILE A 59 -2.668 -4.129 -7.177 1.00 52.42 O ATOM 961 CB ILE A 59 -4.903 -4.991 -4.729 1.00 72.21 C ATOM 962 CG1 ILE A 59 -5.701 -4.371 -3.545 1.00 65.13 C ATOM 963 CG2 ILE A 59 -3.540 -5.520 -4.242 1.00 74.15 C ATOM 964 CD1 ILE A 59 -5.985 -5.330 -2.391 1.00 63.44 C ATOM 0 H ILE A 59 -6.831 -4.005 -6.033 1.00 65.00 H new ATOM 0 HA ILE A 59 -4.299 -3.049 -5.543 1.00 51.33 H new ATOM 0 HB ILE A 59 -5.482 -5.831 -5.113 1.00 72.21 H new ATOM 0 HG12 ILE A 59 -5.146 -3.516 -3.160 1.00 65.13 H new ATOM 0 HG13 ILE A 59 -6.649 -3.991 -3.924 1.00 65.13 H new ATOM 0 HG21 ILE A 59 -3.693 -6.217 -3.418 1.00 74.15 H new ATOM 0 HG22 ILE A 59 -3.035 -6.032 -5.061 1.00 74.15 H new ATOM 0 HG23 ILE A 59 -2.926 -4.686 -3.902 1.00 74.15 H new ATOM 0 HD11 ILE A 59 -6.545 -4.809 -1.614 1.00 63.44 H new ATOM 0 HD12 ILE A 59 -6.570 -6.174 -2.755 1.00 63.44 H new ATOM 0 HD13 ILE A 59 -5.043 -5.692 -1.979 1.00 63.44 H new ATOM 976 N SER A 60 -4.306 -5.639 -7.655 1.00 60.55 N ATOM 977 CA SER A 60 -3.554 -6.423 -8.642 1.00 73.32 C ATOM 978 C SER A 60 -3.049 -5.544 -9.808 1.00 64.34 C ATOM 979 O SER A 60 -1.980 -5.812 -10.358 1.00 63.22 O ATOM 980 CB SER A 60 -4.450 -7.581 -9.143 1.00 71.34 C ATOM 981 OG SER A 60 -3.777 -8.438 -10.055 1.00 74.33 O ATOM 0 H SER A 60 -5.266 -5.960 -7.530 1.00 60.55 H new ATOM 0 HA SER A 60 -2.663 -6.836 -8.169 1.00 73.32 H new ATOM 0 HB2 SER A 60 -4.795 -8.164 -8.289 1.00 71.34 H new ATOM 0 HB3 SER A 60 -5.336 -7.168 -9.625 1.00 71.34 H new ATOM 0 HG SER A 60 -3.837 -9.364 -9.739 1.00 74.33 H new ATOM 987 N GLU A 61 -3.807 -4.475 -10.152 1.00 53.54 N ATOM 988 CA GLU A 61 -3.420 -3.528 -11.219 1.00 42.02 C ATOM 989 C GLU A 61 -2.216 -2.671 -10.783 1.00 63.25 C ATOM 990 O GLU A 61 -1.270 -2.473 -11.567 1.00 1.51 O ATOM 991 CB GLU A 61 -4.615 -2.623 -11.617 1.00 50.15 C ATOM 992 CG GLU A 61 -5.895 -3.383 -12.037 1.00 5.32 C ATOM 993 CD GLU A 61 -5.665 -4.437 -13.143 1.00 54.34 C ATOM 994 OE1 GLU A 61 -5.529 -5.639 -12.822 1.00 71.44 O ATOM 995 OE2 GLU A 61 -5.613 -4.070 -14.336 1.00 32.44 O ATOM 0 H GLU A 61 -4.694 -4.249 -9.702 1.00 53.54 H new ATOM 0 HA GLU A 61 -3.127 -4.111 -12.092 1.00 42.02 H new ATOM 0 HB2 GLU A 61 -4.855 -1.973 -10.776 1.00 50.15 H new ATOM 0 HB3 GLU A 61 -4.306 -1.979 -12.440 1.00 50.15 H new ATOM 0 HG2 GLU A 61 -6.316 -3.876 -11.161 1.00 5.32 H new ATOM 0 HG3 GLU A 61 -6.636 -2.663 -12.384 1.00 5.32 H new ATOM 1002 N ILE A 62 -2.257 -2.176 -9.518 1.00 73.54 N ATOM 1003 CA ILE A 62 -1.126 -1.442 -8.912 1.00 74.31 C ATOM 1004 C ILE A 62 0.142 -2.318 -8.961 1.00 74.23 C ATOM 1005 O ILE A 62 1.186 -1.852 -9.407 1.00 23.01 O ATOM 1006 CB ILE A 62 -1.420 -0.966 -7.417 1.00 71.44 C ATOM 1007 CG1 ILE A 62 -2.268 0.357 -7.363 1.00 14.01 C ATOM 1008 CG2 ILE A 62 -0.119 -0.786 -6.592 1.00 31.31 C ATOM 1009 CD1 ILE A 62 -3.710 0.224 -7.779 1.00 2.11 C ATOM 0 H ILE A 62 -3.064 -2.275 -8.902 1.00 73.54 H new ATOM 0 HA ILE A 62 -0.976 -0.535 -9.498 1.00 74.31 H new ATOM 0 HB ILE A 62 -2.007 -1.767 -6.967 1.00 71.44 H new ATOM 0 HG12 ILE A 62 -2.237 0.746 -6.345 1.00 14.01 H new ATOM 0 HG13 ILE A 62 -1.791 1.099 -8.003 1.00 14.01 H new ATOM 0 HG21 ILE A 62 -0.370 -0.461 -5.582 1.00 31.31 H new ATOM 0 HG22 ILE A 62 0.417 -1.734 -6.546 1.00 31.31 H new ATOM 0 HG23 ILE A 62 0.512 -0.036 -7.068 1.00 31.31 H new ATOM 0 HD11 ILE A 62 -4.201 1.194 -7.704 1.00 2.11 H new ATOM 0 HD12 ILE A 62 -3.760 -0.130 -8.809 1.00 2.11 H new ATOM 0 HD13 ILE A 62 -4.213 -0.489 -7.125 1.00 2.11 H new ATOM 1021 N ILE A 63 0.010 -3.599 -8.538 1.00 63.14 N ATOM 1022 CA ILE A 63 1.147 -4.544 -8.459 1.00 41.32 C ATOM 1023 C ILE A 63 1.779 -4.770 -9.843 1.00 12.44 C ATOM 1024 O ILE A 63 3.000 -4.819 -9.946 1.00 21.43 O ATOM 1025 CB ILE A 63 0.739 -5.926 -7.832 1.00 24.42 C ATOM 1026 CG1 ILE A 63 0.074 -5.727 -6.438 1.00 52.12 C ATOM 1027 CG2 ILE A 63 1.968 -6.871 -7.715 1.00 35.41 C ATOM 1028 CD1 ILE A 63 -0.488 -6.999 -5.830 1.00 22.41 C ATOM 0 H ILE A 63 -0.880 -4.002 -8.245 1.00 63.14 H new ATOM 0 HA ILE A 63 1.881 -4.082 -7.799 1.00 41.32 H new ATOM 0 HB ILE A 63 0.013 -6.392 -8.498 1.00 24.42 H new ATOM 0 HG12 ILE A 63 0.810 -5.305 -5.754 1.00 52.12 H new ATOM 0 HG13 ILE A 63 -0.730 -4.997 -6.532 1.00 52.12 H new ATOM 0 HG21 ILE A 63 1.657 -7.820 -7.278 1.00 35.41 H new ATOM 0 HG22 ILE A 63 2.387 -7.048 -8.706 1.00 35.41 H new ATOM 0 HG23 ILE A 63 2.723 -6.409 -7.079 1.00 35.41 H new ATOM 0 HD11 ILE A 63 -0.933 -6.773 -4.861 1.00 22.41 H new ATOM 0 HD12 ILE A 63 -1.249 -7.413 -6.491 1.00 22.41 H new ATOM 0 HD13 ILE A 63 0.314 -7.726 -5.701 1.00 22.41 H new ATOM 1040 N LYS A 64 0.936 -4.875 -10.900 1.00 64.33 N ATOM 1041 CA LYS A 64 1.410 -4.972 -12.305 1.00 13.34 C ATOM 1042 C LYS A 64 2.319 -3.783 -12.647 1.00 2.24 C ATOM 1043 O LYS A 64 3.389 -3.952 -13.246 1.00 35.25 O ATOM 1044 CB LYS A 64 0.215 -5.010 -13.300 1.00 72.42 C ATOM 1045 CG LYS A 64 -0.662 -6.269 -13.197 1.00 22.03 C ATOM 1046 CD LYS A 64 -1.901 -6.220 -14.118 1.00 2.35 C ATOM 1047 CE LYS A 64 -2.802 -7.450 -13.947 1.00 24.22 C ATOM 1048 NZ LYS A 64 -3.327 -7.546 -12.563 1.00 65.43 N ATOM 0 H LYS A 64 -0.079 -4.895 -10.806 1.00 64.33 H new ATOM 0 HA LYS A 64 1.974 -5.900 -12.400 1.00 13.34 H new ATOM 0 HB2 LYS A 64 -0.410 -4.133 -13.131 1.00 72.42 H new ATOM 0 HB3 LYS A 64 0.602 -4.935 -14.316 1.00 72.42 H new ATOM 0 HG2 LYS A 64 -0.063 -7.144 -13.450 1.00 22.03 H new ATOM 0 HG3 LYS A 64 -0.989 -6.394 -12.165 1.00 22.03 H new ATOM 0 HD2 LYS A 64 -2.475 -5.319 -13.903 1.00 2.35 H new ATOM 0 HD3 LYS A 64 -1.577 -6.151 -15.156 1.00 2.35 H new ATOM 0 HE2 LYS A 64 -3.633 -7.395 -14.650 1.00 24.22 H new ATOM 0 HE3 LYS A 64 -2.239 -8.352 -14.188 1.00 24.22 H new ATOM 0 HZ1 LYS A 64 -4.180 -8.141 -12.556 1.00 65.43 H new ATOM 0 HZ2 LYS A 64 -2.604 -7.969 -11.946 1.00 65.43 H new ATOM 0 HZ3 LYS A 64 -3.566 -6.595 -12.215 1.00 65.43 H new ATOM 1062 N GLN A 65 1.874 -2.589 -12.228 1.00 2.41 N ATOM 1063 CA GLN A 65 2.615 -1.341 -12.447 1.00 51.12 C ATOM 1064 C GLN A 65 3.862 -1.222 -11.543 1.00 62.54 C ATOM 1065 O GLN A 65 4.814 -0.516 -11.897 1.00 41.21 O ATOM 1066 CB GLN A 65 1.674 -0.124 -12.268 1.00 44.13 C ATOM 1067 CG GLN A 65 0.489 -0.068 -13.255 1.00 22.44 C ATOM 1068 CD GLN A 65 0.894 -0.391 -14.695 1.00 33.34 C ATOM 1069 OE1 GLN A 65 0.742 -1.516 -15.161 1.00 33.45 O ATOM 1070 NE2 GLN A 65 1.501 0.563 -15.368 1.00 60.04 N ATOM 0 H GLN A 65 0.993 -2.463 -11.730 1.00 2.41 H new ATOM 0 HA GLN A 65 2.983 -1.356 -13.473 1.00 51.12 H new ATOM 0 HB2 GLN A 65 1.281 -0.134 -11.251 1.00 44.13 H new ATOM 0 HB3 GLN A 65 2.260 0.789 -12.375 1.00 44.13 H new ATOM 0 HG2 GLN A 65 -0.279 -0.772 -12.933 1.00 22.44 H new ATOM 0 HG3 GLN A 65 0.043 0.926 -13.223 1.00 22.44 H new ATOM 0 HE21 GLN A 65 1.612 1.488 -14.953 1.00 60.04 H new ATOM 0 HE22 GLN A 65 1.860 0.377 -16.304 1.00 60.04 H new ATOM 1079 N VAL A 66 3.853 -1.905 -10.384 1.00 31.42 N ATOM 1080 CA VAL A 66 5.017 -1.972 -9.479 1.00 3.52 C ATOM 1081 C VAL A 66 6.083 -2.936 -10.036 1.00 21.41 C ATOM 1082 O VAL A 66 7.280 -2.704 -9.865 1.00 31.42 O ATOM 1083 CB VAL A 66 4.593 -2.398 -8.026 1.00 41.43 C ATOM 1084 CG1 VAL A 66 5.818 -2.611 -7.112 1.00 2.12 C ATOM 1085 CG2 VAL A 66 3.634 -1.357 -7.404 1.00 53.15 C ATOM 0 H VAL A 66 3.042 -2.425 -10.048 1.00 31.42 H new ATOM 0 HA VAL A 66 5.448 -0.972 -9.420 1.00 3.52 H new ATOM 0 HB VAL A 66 4.069 -3.350 -8.109 1.00 41.43 H new ATOM 0 HG11 VAL A 66 5.483 -2.904 -6.117 1.00 2.12 H new ATOM 0 HG12 VAL A 66 6.450 -3.395 -7.528 1.00 2.12 H new ATOM 0 HG13 VAL A 66 6.387 -1.684 -7.044 1.00 2.12 H new ATOM 0 HG21 VAL A 66 3.355 -1.674 -6.399 1.00 53.15 H new ATOM 0 HG22 VAL A 66 4.131 -0.388 -7.354 1.00 53.15 H new ATOM 0 HG23 VAL A 66 2.739 -1.274 -8.020 1.00 53.15 H new ATOM 1095 N LEU A 67 5.638 -4.012 -10.711 1.00 3.02 N ATOM 1096 CA LEU A 67 6.547 -4.970 -11.365 1.00 31.40 C ATOM 1097 C LEU A 67 7.181 -4.308 -12.603 1.00 51.53 C ATOM 1098 O LEU A 67 8.370 -4.497 -12.885 1.00 41.44 O ATOM 1099 CB LEU A 67 5.800 -6.271 -11.768 1.00 73.00 C ATOM 1100 CG LEU A 67 5.109 -7.062 -10.613 1.00 42.13 C ATOM 1101 CD1 LEU A 67 4.447 -8.349 -11.136 1.00 54.11 C ATOM 1102 CD2 LEU A 67 6.085 -7.362 -9.454 1.00 72.30 C ATOM 0 H LEU A 67 4.650 -4.240 -10.818 1.00 3.02 H new ATOM 0 HA LEU A 67 7.330 -5.246 -10.659 1.00 31.40 H new ATOM 0 HB2 LEU A 67 5.041 -6.014 -12.507 1.00 73.00 H new ATOM 0 HB3 LEU A 67 6.511 -6.935 -12.259 1.00 73.00 H new ATOM 0 HG LEU A 67 4.323 -6.423 -10.211 1.00 42.13 H new ATOM 0 HD11 LEU A 67 3.975 -8.877 -10.308 1.00 54.11 H new ATOM 0 HD12 LEU A 67 3.693 -8.094 -11.881 1.00 54.11 H new ATOM 0 HD13 LEU A 67 5.204 -8.989 -11.590 1.00 54.11 H new ATOM 0 HD21 LEU A 67 5.563 -7.914 -8.672 1.00 72.30 H new ATOM 0 HD22 LEU A 67 6.918 -7.959 -9.825 1.00 72.30 H new ATOM 0 HD23 LEU A 67 6.464 -6.425 -9.046 1.00 72.30 H new ATOM 1114 N ASP A 68 6.357 -3.515 -13.314 1.00 20.33 N ATOM 1115 CA ASP A 68 6.765 -2.738 -14.496 1.00 4.03 C ATOM 1116 C ASP A 68 7.799 -1.655 -14.129 1.00 45.23 C ATOM 1117 O ASP A 68 8.757 -1.425 -14.875 1.00 33.41 O ATOM 1118 CB ASP A 68 5.508 -2.104 -15.151 1.00 32.43 C ATOM 1119 CG ASP A 68 5.810 -1.269 -16.405 1.00 73.41 C ATOM 1120 OD1 ASP A 68 6.080 -1.854 -17.465 1.00 12.00 O ATOM 1121 OD2 ASP A 68 5.788 -0.024 -16.332 1.00 62.10 O ATOM 0 H ASP A 68 5.372 -3.395 -13.077 1.00 20.33 H new ATOM 0 HA ASP A 68 7.244 -3.409 -15.209 1.00 4.03 H new ATOM 0 HB2 ASP A 68 4.809 -2.898 -15.415 1.00 32.43 H new ATOM 0 HB3 ASP A 68 5.009 -1.471 -14.417 1.00 32.43 H new ATOM 1126 N SER A 69 7.597 -1.006 -12.972 1.00 14.25 N ATOM 1127 CA SER A 69 8.494 0.051 -12.479 1.00 51.54 C ATOM 1128 C SER A 69 9.721 -0.543 -11.761 1.00 60.20 C ATOM 1129 O SER A 69 10.820 0.019 -11.813 1.00 12.52 O ATOM 1130 CB SER A 69 7.718 0.989 -11.529 1.00 63.20 C ATOM 1131 OG SER A 69 7.178 0.284 -10.431 1.00 22.02 O ATOM 0 H SER A 69 6.809 -1.198 -12.353 1.00 14.25 H new ATOM 0 HA SER A 69 8.856 0.620 -13.335 1.00 51.54 H new ATOM 0 HB2 SER A 69 8.383 1.773 -11.167 1.00 63.20 H new ATOM 0 HB3 SER A 69 6.915 1.480 -12.078 1.00 63.20 H new ATOM 0 HG SER A 69 7.344 -0.675 -10.544 1.00 22.02 H new ATOM 1137 N GLY A 70 9.513 -1.694 -11.108 1.00 52.21 N ATOM 1138 CA GLY A 70 10.511 -2.287 -10.215 1.00 31.40 C ATOM 1139 C GLY A 70 10.579 -1.570 -8.875 1.00 14.20 C ATOM 1140 O GLY A 70 11.664 -1.382 -8.312 1.00 64.51 O ATOM 0 H GLY A 70 8.652 -2.236 -11.185 1.00 52.21 H new ATOM 0 HA2 GLY A 70 10.272 -3.338 -10.052 1.00 31.40 H new ATOM 0 HA3 GLY A 70 11.490 -2.254 -10.693 1.00 31.40 H new ATOM 1144 N ALA A 71 9.406 -1.155 -8.377 1.00 13.23 N ATOM 1145 CA ALA A 71 9.264 -0.488 -7.073 1.00 2.24 C ATOM 1146 C ALA A 71 9.076 -1.523 -5.941 1.00 1.31 C ATOM 1147 O ALA A 71 8.982 -2.731 -6.188 1.00 61.30 O ATOM 1148 CB ALA A 71 8.081 0.493 -7.118 1.00 71.53 C ATOM 0 H ALA A 71 8.521 -1.273 -8.871 1.00 13.23 H new ATOM 0 HA ALA A 71 10.177 0.069 -6.863 1.00 2.24 H new ATOM 0 HB1 ALA A 71 7.979 0.985 -6.151 1.00 71.53 H new ATOM 0 HB2 ALA A 71 8.259 1.242 -7.889 1.00 71.53 H new ATOM 0 HB3 ALA A 71 7.165 -0.052 -7.346 1.00 71.53 H new ATOM 1154 N LYS A 72 9.051 -1.030 -4.694 1.00 23.44 N ATOM 1155 CA LYS A 72 8.795 -1.847 -3.488 1.00 62.23 C ATOM 1156 C LYS A 72 7.314 -1.680 -3.109 1.00 43.44 C ATOM 1157 O LYS A 72 6.823 -0.557 -3.091 1.00 64.41 O ATOM 1158 CB LYS A 72 9.735 -1.395 -2.317 1.00 4.31 C ATOM 1159 CG LYS A 72 11.200 -1.924 -2.360 1.00 23.10 C ATOM 1160 CD LYS A 72 11.973 -1.620 -3.670 1.00 53.32 C ATOM 1161 CE LYS A 72 12.113 -0.115 -3.977 1.00 35.42 C ATOM 1162 NZ LYS A 72 12.997 0.606 -3.026 1.00 72.24 N ATOM 0 H LYS A 72 9.209 -0.044 -4.487 1.00 23.44 H new ATOM 0 HA LYS A 72 9.006 -2.898 -3.685 1.00 62.23 H new ATOM 0 HB2 LYS A 72 9.766 -0.305 -2.305 1.00 4.31 H new ATOM 0 HB3 LYS A 72 9.285 -1.712 -1.376 1.00 4.31 H new ATOM 0 HG2 LYS A 72 11.750 -1.492 -1.524 1.00 23.10 H new ATOM 0 HG3 LYS A 72 11.184 -3.003 -2.208 1.00 23.10 H new ATOM 0 HD2 LYS A 72 12.967 -2.062 -3.605 1.00 53.32 H new ATOM 0 HD3 LYS A 72 11.463 -2.105 -4.502 1.00 53.32 H new ATOM 0 HE2 LYS A 72 12.504 0.006 -4.987 1.00 35.42 H new ATOM 0 HE3 LYS A 72 11.125 0.344 -3.961 1.00 35.42 H new ATOM 0 HZ1 LYS A 72 12.546 1.499 -2.742 1.00 72.24 H new ATOM 0 HZ2 LYS A 72 13.156 0.016 -2.185 1.00 72.24 H new ATOM 0 HZ3 LYS A 72 13.908 0.809 -3.484 1.00 72.24 H new ATOM 1176 N VAL A 73 6.594 -2.784 -2.827 1.00 4.20 N ATOM 1177 CA VAL A 73 5.137 -2.727 -2.558 1.00 0.50 C ATOM 1178 C VAL A 73 4.732 -3.548 -1.320 1.00 55.01 C ATOM 1179 O VAL A 73 5.232 -4.655 -1.087 1.00 51.41 O ATOM 1180 CB VAL A 73 4.305 -3.179 -3.816 1.00 73.41 C ATOM 1181 CG1 VAL A 73 4.618 -4.638 -4.234 1.00 11.14 C ATOM 1182 CG2 VAL A 73 2.784 -2.948 -3.622 1.00 25.54 C ATOM 0 H VAL A 73 6.992 -3.722 -2.779 1.00 4.20 H new ATOM 0 HA VAL A 73 4.905 -1.684 -2.344 1.00 0.50 H new ATOM 0 HB VAL A 73 4.621 -2.541 -4.642 1.00 73.41 H new ATOM 0 HG11 VAL A 73 4.020 -4.903 -5.106 1.00 11.14 H new ATOM 0 HG12 VAL A 73 5.676 -4.727 -4.479 1.00 11.14 H new ATOM 0 HG13 VAL A 73 4.378 -5.312 -3.411 1.00 11.14 H new ATOM 0 HG21 VAL A 73 2.250 -3.274 -4.514 1.00 25.54 H new ATOM 0 HG22 VAL A 73 2.436 -3.520 -2.762 1.00 25.54 H new ATOM 0 HG23 VAL A 73 2.596 -1.888 -3.453 1.00 25.54 H new ATOM 1192 N LEU A 74 3.837 -2.958 -0.518 1.00 4.14 N ATOM 1193 CA LEU A 74 3.170 -3.610 0.607 1.00 13.41 C ATOM 1194 C LEU A 74 1.663 -3.560 0.357 1.00 31.43 C ATOM 1195 O LEU A 74 1.112 -2.485 0.101 1.00 63.32 O ATOM 1196 CB LEU A 74 3.515 -2.900 1.937 1.00 43.44 C ATOM 1197 CG LEU A 74 2.821 -3.467 3.216 1.00 63.43 C ATOM 1198 CD1 LEU A 74 3.152 -4.949 3.424 1.00 12.40 C ATOM 1199 CD2 LEU A 74 3.181 -2.643 4.465 1.00 52.23 C ATOM 0 H LEU A 74 3.551 -1.986 -0.640 1.00 4.14 H new ATOM 0 HA LEU A 74 3.508 -4.643 0.688 1.00 13.41 H new ATOM 0 HB2 LEU A 74 4.594 -2.948 2.082 1.00 43.44 H new ATOM 0 HB3 LEU A 74 3.252 -1.846 1.842 1.00 43.44 H new ATOM 0 HG LEU A 74 1.745 -3.385 3.062 1.00 63.43 H new ATOM 0 HD11 LEU A 74 2.653 -5.311 4.323 1.00 12.40 H new ATOM 0 HD12 LEU A 74 2.809 -5.523 2.563 1.00 12.40 H new ATOM 0 HD13 LEU A 74 4.230 -5.069 3.535 1.00 12.40 H new ATOM 0 HD21 LEU A 74 2.681 -3.066 5.336 1.00 52.23 H new ATOM 0 HD22 LEU A 74 4.260 -2.667 4.619 1.00 52.23 H new ATOM 0 HD23 LEU A 74 2.858 -1.611 4.326 1.00 52.23 H new ATOM 1211 N ILE A 75 1.000 -4.720 0.403 1.00 1.12 N ATOM 1212 CA ILE A 75 -0.452 -4.816 0.236 1.00 5.42 C ATOM 1213 C ILE A 75 -1.098 -5.179 1.573 1.00 50.21 C ATOM 1214 O ILE A 75 -0.711 -6.150 2.223 1.00 43.02 O ATOM 1215 CB ILE A 75 -0.836 -5.865 -0.864 1.00 35.02 C ATOM 1216 CG1 ILE A 75 -0.243 -5.458 -2.253 1.00 73.54 C ATOM 1217 CG2 ILE A 75 -2.367 -6.092 -0.941 1.00 43.22 C ATOM 1218 CD1 ILE A 75 -0.614 -4.066 -2.744 1.00 51.23 C ATOM 0 H ILE A 75 1.456 -5.619 0.557 1.00 1.12 H new ATOM 0 HA ILE A 75 -0.825 -3.847 -0.095 1.00 5.42 H new ATOM 0 HB ILE A 75 -0.393 -6.818 -0.576 1.00 35.02 H new ATOM 0 HG12 ILE A 75 0.843 -5.527 -2.198 1.00 73.54 H new ATOM 0 HG13 ILE A 75 -0.572 -6.185 -2.995 1.00 73.54 H new ATOM 0 HG21 ILE A 75 -2.587 -6.826 -1.716 1.00 43.22 H new ATOM 0 HG22 ILE A 75 -2.729 -6.459 0.019 1.00 43.22 H new ATOM 0 HG23 ILE A 75 -2.863 -5.151 -1.181 1.00 43.22 H new ATOM 0 HD11 ILE A 75 -0.151 -3.887 -3.714 1.00 51.23 H new ATOM 0 HD12 ILE A 75 -1.697 -3.991 -2.840 1.00 51.23 H new ATOM 0 HD13 ILE A 75 -0.260 -3.322 -2.030 1.00 51.23 H new ATOM 1230 N LEU A 76 -2.079 -4.377 1.973 1.00 14.21 N ATOM 1231 CA LEU A 76 -2.815 -4.530 3.223 1.00 63.04 C ATOM 1232 C LEU A 76 -4.314 -4.571 2.894 1.00 71.23 C ATOM 1233 O LEU A 76 -4.792 -3.759 2.092 1.00 72.40 O ATOM 1234 CB LEU A 76 -2.472 -3.336 4.168 1.00 20.52 C ATOM 1235 CG LEU A 76 -0.950 -3.133 4.486 1.00 33.42 C ATOM 1236 CD1 LEU A 76 -0.694 -1.863 5.315 1.00 5.51 C ATOM 1237 CD2 LEU A 76 -0.366 -4.369 5.187 1.00 62.50 C ATOM 0 H LEU A 76 -2.393 -3.579 1.420 1.00 14.21 H new ATOM 0 HA LEU A 76 -2.539 -5.453 3.733 1.00 63.04 H new ATOM 0 HB2 LEU A 76 -2.855 -2.420 3.719 1.00 20.52 H new ATOM 0 HB3 LEU A 76 -3.005 -3.477 5.108 1.00 20.52 H new ATOM 0 HG LEU A 76 -0.439 -3.003 3.532 1.00 33.42 H new ATOM 0 HD11 LEU A 76 0.374 -1.765 5.510 1.00 5.51 H new ATOM 0 HD12 LEU A 76 -1.043 -0.991 4.762 1.00 5.51 H new ATOM 0 HD13 LEU A 76 -1.231 -1.932 6.261 1.00 5.51 H new ATOM 0 HD21 LEU A 76 0.691 -4.203 5.397 1.00 62.50 H new ATOM 0 HD22 LEU A 76 -0.899 -4.543 6.122 1.00 62.50 H new ATOM 0 HD23 LEU A 76 -0.475 -5.240 4.540 1.00 62.50 H new ATOM 1249 N SER A 77 -5.042 -5.531 3.473 1.00 31.35 N ATOM 1250 CA SER A 77 -6.507 -5.612 3.343 1.00 14.45 C ATOM 1251 C SER A 77 -7.104 -6.265 4.590 1.00 60.21 C ATOM 1252 O SER A 77 -6.430 -7.031 5.294 1.00 63.52 O ATOM 1253 CB SER A 77 -6.916 -6.391 2.069 1.00 71.23 C ATOM 1254 OG SER A 77 -6.468 -7.735 2.110 1.00 61.20 O ATOM 0 H SER A 77 -4.638 -6.273 4.044 1.00 31.35 H new ATOM 0 HA SER A 77 -6.900 -4.600 3.249 1.00 14.45 H new ATOM 0 HB2 SER A 77 -8.001 -6.372 1.963 1.00 71.23 H new ATOM 0 HB3 SER A 77 -6.502 -5.896 1.191 1.00 71.23 H new ATOM 0 HG SER A 77 -7.104 -8.277 2.622 1.00 61.20 H new ATOM 1260 N SER A 78 -8.388 -5.983 4.836 1.00 71.11 N ATOM 1261 CA SER A 78 -9.116 -6.446 6.025 1.00 41.52 C ATOM 1262 C SER A 78 -9.643 -7.894 5.875 1.00 12.11 C ATOM 1263 O SER A 78 -10.457 -8.349 6.693 1.00 24.45 O ATOM 1264 CB SER A 78 -10.278 -5.464 6.308 1.00 51.34 C ATOM 1265 OG SER A 78 -9.801 -4.133 6.450 1.00 45.54 O ATOM 0 H SER A 78 -8.960 -5.419 4.207 1.00 71.11 H new ATOM 0 HA SER A 78 -8.423 -6.463 6.866 1.00 41.52 H new ATOM 0 HB2 SER A 78 -11.002 -5.509 5.495 1.00 51.34 H new ATOM 0 HB3 SER A 78 -10.800 -5.765 7.216 1.00 51.34 H new ATOM 0 HG SER A 78 -8.869 -4.150 6.753 1.00 45.54 H new ATOM 1271 N ASP A 79 -9.151 -8.628 4.852 1.00 71.22 N ATOM 1272 CA ASP A 79 -9.573 -10.008 4.575 1.00 71.15 C ATOM 1273 C ASP A 79 -8.354 -10.870 4.183 1.00 72.02 C ATOM 1274 O ASP A 79 -7.573 -10.511 3.282 1.00 62.33 O ATOM 1275 CB ASP A 79 -10.654 -10.020 3.469 1.00 13.23 C ATOM 1276 CG ASP A 79 -11.178 -11.431 3.147 1.00 22.42 C ATOM 1277 OD1 ASP A 79 -12.110 -11.904 3.824 1.00 64.23 O ATOM 1278 OD2 ASP A 79 -10.645 -12.087 2.240 1.00 2.33 O ATOM 0 H ASP A 79 -8.451 -8.275 4.199 1.00 71.22 H new ATOM 0 HA ASP A 79 -10.009 -10.439 5.476 1.00 71.15 H new ATOM 0 HB2 ASP A 79 -11.489 -9.392 3.779 1.00 13.23 H new ATOM 0 HB3 ASP A 79 -10.242 -9.577 2.562 1.00 13.23 H new ATOM 1283 N GLU A 80 -8.231 -12.018 4.868 1.00 52.24 N ATOM 1284 CA GLU A 80 -7.120 -12.962 4.718 1.00 15.41 C ATOM 1285 C GLU A 80 -7.081 -13.624 3.320 1.00 43.23 C ATOM 1286 O GLU A 80 -5.996 -13.914 2.812 1.00 55.25 O ATOM 1287 CB GLU A 80 -7.238 -14.049 5.819 1.00 42.31 C ATOM 1288 CG GLU A 80 -6.008 -14.965 5.988 1.00 15.51 C ATOM 1289 CD GLU A 80 -4.781 -14.252 6.587 1.00 74.34 C ATOM 1290 OE1 GLU A 80 -3.959 -13.695 5.828 1.00 75.05 O ATOM 1291 OE2 GLU A 80 -4.641 -14.242 7.827 1.00 4.51 O ATOM 0 H GLU A 80 -8.920 -12.320 5.557 1.00 52.24 H new ATOM 0 HA GLU A 80 -6.189 -12.405 4.823 1.00 15.41 H new ATOM 0 HB2 GLU A 80 -7.435 -13.556 6.771 1.00 42.31 H new ATOM 0 HB3 GLU A 80 -8.105 -14.672 5.598 1.00 42.31 H new ATOM 0 HG2 GLU A 80 -6.277 -15.805 6.628 1.00 15.51 H new ATOM 0 HG3 GLU A 80 -5.738 -15.379 5.016 1.00 15.51 H new ATOM 1298 N ASN A 81 -8.263 -13.858 2.701 1.00 54.34 N ATOM 1299 CA ASN A 81 -8.355 -14.546 1.387 1.00 1.52 C ATOM 1300 C ASN A 81 -7.897 -13.606 0.263 1.00 13.21 C ATOM 1301 O ASN A 81 -7.370 -14.062 -0.752 1.00 70.34 O ATOM 1302 CB ASN A 81 -9.798 -15.040 1.097 1.00 43.13 C ATOM 1303 CG ASN A 81 -10.366 -15.923 2.203 1.00 70.55 C ATOM 1304 OD1 ASN A 81 -10.173 -17.141 2.208 1.00 52.11 O ATOM 1305 ND2 ASN A 81 -11.066 -15.320 3.151 1.00 40.23 N ATOM 0 H ASN A 81 -9.165 -13.582 3.088 1.00 54.34 H new ATOM 0 HA ASN A 81 -7.700 -15.417 1.427 1.00 1.52 H new ATOM 0 HB2 ASN A 81 -10.450 -14.177 0.960 1.00 43.13 H new ATOM 0 HB3 ASN A 81 -9.803 -15.596 0.159 1.00 43.13 H new ATOM 0 HD21 ASN A 81 -11.464 -15.865 3.916 1.00 40.23 H new ATOM 0 HD22 ASN A 81 -11.207 -14.310 3.117 1.00 40.23 H new ATOM 1312 N ILE A 82 -8.130 -12.289 0.454 1.00 2.11 N ATOM 1313 CA ILE A 82 -7.634 -11.243 -0.456 1.00 33.35 C ATOM 1314 C ILE A 82 -6.102 -11.199 -0.395 1.00 74.12 C ATOM 1315 O ILE A 82 -5.440 -11.217 -1.433 1.00 14.01 O ATOM 1316 CB ILE A 82 -8.250 -9.835 -0.109 1.00 14.12 C ATOM 1317 CG1 ILE A 82 -9.797 -9.854 -0.320 1.00 4.34 C ATOM 1318 CG2 ILE A 82 -7.588 -8.695 -0.930 1.00 43.12 C ATOM 1319 CD1 ILE A 82 -10.521 -8.585 0.100 1.00 43.02 C ATOM 0 H ILE A 82 -8.666 -11.926 1.242 1.00 2.11 H new ATOM 0 HA ILE A 82 -7.947 -11.488 -1.471 1.00 33.35 H new ATOM 0 HB ILE A 82 -8.044 -9.631 0.942 1.00 14.12 H new ATOM 0 HG12 ILE A 82 -10.002 -10.039 -1.375 1.00 4.34 H new ATOM 0 HG13 ILE A 82 -10.214 -10.693 0.237 1.00 4.34 H new ATOM 0 HG21 ILE A 82 -8.042 -7.741 -0.660 1.00 43.12 H new ATOM 0 HG22 ILE A 82 -6.520 -8.663 -0.713 1.00 43.12 H new ATOM 0 HG23 ILE A 82 -7.737 -8.879 -1.994 1.00 43.12 H new ATOM 0 HD11 ILE A 82 -11.589 -8.697 -0.086 1.00 43.02 H new ATOM 0 HD12 ILE A 82 -10.354 -8.406 1.162 1.00 43.02 H new ATOM 0 HD13 ILE A 82 -10.139 -7.741 -0.475 1.00 43.02 H new ATOM 1331 N ILE A 83 -5.555 -11.182 0.837 1.00 72.03 N ATOM 1332 CA ILE A 83 -4.097 -11.269 1.073 1.00 2.34 C ATOM 1333 C ILE A 83 -3.504 -12.531 0.394 1.00 40.42 C ATOM 1334 O ILE A 83 -2.447 -12.462 -0.250 1.00 74.13 O ATOM 1335 CB ILE A 83 -3.788 -11.232 2.623 1.00 53.32 C ATOM 1336 CG1 ILE A 83 -4.140 -9.826 3.216 1.00 65.52 C ATOM 1337 CG2 ILE A 83 -2.328 -11.624 2.964 1.00 44.53 C ATOM 1338 CD1 ILE A 83 -3.345 -8.662 2.634 1.00 1.31 C ATOM 0 H ILE A 83 -6.106 -11.108 1.692 1.00 72.03 H new ATOM 0 HA ILE A 83 -3.615 -10.403 0.620 1.00 2.34 H new ATOM 0 HB ILE A 83 -4.422 -11.987 3.087 1.00 53.32 H new ATOM 0 HG12 ILE A 83 -5.202 -9.637 3.056 1.00 65.52 H new ATOM 0 HG13 ILE A 83 -3.980 -9.853 4.294 1.00 65.52 H new ATOM 0 HG21 ILE A 83 -2.182 -11.578 4.043 1.00 44.53 H new ATOM 0 HG22 ILE A 83 -2.132 -12.637 2.614 1.00 44.53 H new ATOM 0 HG23 ILE A 83 -1.642 -10.932 2.475 1.00 44.53 H new ATOM 0 HD11 ILE A 83 -3.661 -7.733 3.108 1.00 1.31 H new ATOM 0 HD12 ILE A 83 -2.282 -8.820 2.817 1.00 1.31 H new ATOM 0 HD13 ILE A 83 -3.523 -8.600 1.560 1.00 1.31 H new ATOM 1350 N GLU A 84 -4.238 -13.657 0.496 1.00 12.20 N ATOM 1351 CA GLU A 84 -3.835 -14.937 -0.111 1.00 71.12 C ATOM 1352 C GLU A 84 -3.819 -14.851 -1.645 1.00 4.43 C ATOM 1353 O GLU A 84 -2.831 -15.250 -2.260 1.00 55.34 O ATOM 1354 CB GLU A 84 -4.762 -16.095 0.333 1.00 11.32 C ATOM 1355 CG GLU A 84 -4.338 -17.478 -0.212 1.00 54.31 C ATOM 1356 CD GLU A 84 -5.278 -18.612 0.203 1.00 51.03 C ATOM 1357 OE1 GLU A 84 -4.988 -19.301 1.203 1.00 52.31 O ATOM 1358 OE2 GLU A 84 -6.317 -18.806 -0.463 1.00 74.41 O ATOM 0 H GLU A 84 -5.124 -13.703 1.000 1.00 12.20 H new ATOM 0 HA GLU A 84 -2.824 -15.145 0.240 1.00 71.12 H new ATOM 0 HB2 GLU A 84 -4.782 -16.135 1.422 1.00 11.32 H new ATOM 0 HB3 GLU A 84 -5.779 -15.881 0.003 1.00 11.32 H new ATOM 0 HG2 GLU A 84 -4.294 -17.433 -1.300 1.00 54.31 H new ATOM 0 HG3 GLU A 84 -3.331 -17.705 0.139 1.00 54.31 H new ATOM 1365 N SER A 85 -4.905 -14.320 -2.254 1.00 14.30 N ATOM 1366 CA SER A 85 -5.034 -14.226 -3.722 1.00 65.45 C ATOM 1367 C SER A 85 -3.927 -13.358 -4.317 1.00 23.03 C ATOM 1368 O SER A 85 -3.372 -13.683 -5.359 1.00 4.32 O ATOM 1369 CB SER A 85 -6.428 -13.698 -4.128 1.00 63.11 C ATOM 1370 OG SER A 85 -6.733 -12.461 -3.504 1.00 21.21 O ATOM 0 H SER A 85 -5.707 -13.949 -1.745 1.00 14.30 H new ATOM 0 HA SER A 85 -4.927 -15.232 -4.128 1.00 65.45 H new ATOM 0 HB2 SER A 85 -6.468 -13.577 -5.211 1.00 63.11 H new ATOM 0 HB3 SER A 85 -7.186 -14.435 -3.861 1.00 63.11 H new ATOM 0 HG SER A 85 -6.057 -12.263 -2.822 1.00 21.21 H new ATOM 1376 N ILE A 86 -3.599 -12.282 -3.602 1.00 70.01 N ATOM 1377 CA ILE A 86 -2.522 -11.363 -3.968 1.00 55.14 C ATOM 1378 C ILE A 86 -1.144 -12.066 -3.888 1.00 72.23 C ATOM 1379 O ILE A 86 -0.285 -11.854 -4.755 1.00 23.24 O ATOM 1380 CB ILE A 86 -2.599 -10.080 -3.055 1.00 43.31 C ATOM 1381 CG1 ILE A 86 -3.925 -9.277 -3.337 1.00 20.21 C ATOM 1382 CG2 ILE A 86 -1.363 -9.178 -3.185 1.00 75.05 C ATOM 1383 CD1 ILE A 86 -4.212 -8.970 -4.803 1.00 22.33 C ATOM 0 H ILE A 86 -4.080 -12.021 -2.741 1.00 70.01 H new ATOM 0 HA ILE A 86 -2.645 -11.047 -5.004 1.00 55.14 H new ATOM 0 HB ILE A 86 -2.614 -10.427 -2.022 1.00 43.31 H new ATOM 0 HG12 ILE A 86 -4.764 -9.843 -2.932 1.00 20.21 H new ATOM 0 HG13 ILE A 86 -3.882 -8.336 -2.789 1.00 20.21 H new ATOM 0 HG21 ILE A 86 -1.475 -8.312 -2.533 1.00 75.05 H new ATOM 0 HG22 ILE A 86 -0.473 -9.737 -2.897 1.00 75.05 H new ATOM 0 HG23 ILE A 86 -1.263 -8.844 -4.218 1.00 75.05 H new ATOM 0 HD11 ILE A 86 -5.147 -8.415 -4.882 1.00 22.33 H new ATOM 0 HD12 ILE A 86 -3.399 -8.372 -5.215 1.00 22.33 H new ATOM 0 HD13 ILE A 86 -4.295 -9.903 -5.361 1.00 22.33 H new ATOM 1395 N ARG A 87 -0.966 -12.942 -2.877 1.00 13.43 N ATOM 1396 CA ARG A 87 0.293 -13.691 -2.687 1.00 43.11 C ATOM 1397 C ARG A 87 0.429 -14.908 -3.632 1.00 55.42 C ATOM 1398 O ARG A 87 1.547 -15.329 -3.910 1.00 22.45 O ATOM 1399 CB ARG A 87 0.475 -14.134 -1.205 1.00 23.25 C ATOM 1400 CG ARG A 87 0.777 -12.977 -0.232 1.00 73.44 C ATOM 1401 CD ARG A 87 1.286 -13.454 1.141 1.00 72.03 C ATOM 1402 NE ARG A 87 0.263 -14.163 1.931 1.00 41.35 N ATOM 1403 CZ ARG A 87 0.281 -14.297 3.274 1.00 0.32 C ATOM 1404 NH1 ARG A 87 1.253 -13.760 4.015 1.00 1.15 N ATOM 1405 NH2 ARG A 87 -0.679 -14.977 3.871 1.00 22.44 N ATOM 0 H ARG A 87 -1.680 -13.148 -2.179 1.00 13.43 H new ATOM 0 HA ARG A 87 1.091 -12.996 -2.948 1.00 43.11 H new ATOM 0 HB2 ARG A 87 -0.431 -14.643 -0.876 1.00 23.25 H new ATOM 0 HB3 ARG A 87 1.286 -14.860 -1.152 1.00 23.25 H new ATOM 0 HG2 ARG A 87 1.522 -12.320 -0.680 1.00 73.44 H new ATOM 0 HG3 ARG A 87 -0.127 -12.384 -0.091 1.00 73.44 H new ATOM 0 HD2 ARG A 87 2.142 -14.113 0.994 1.00 72.03 H new ATOM 0 HD3 ARG A 87 1.640 -12.593 1.708 1.00 72.03 H new ATOM 0 HE ARG A 87 -0.516 -14.584 1.425 1.00 41.35 H new ATOM 0 HH11 ARG A 87 2.004 -13.235 3.568 1.00 1.15 H new ATOM 0 HH12 ARG A 87 1.244 -13.875 5.028 1.00 1.15 H new ATOM 0 HH21 ARG A 87 -1.427 -15.396 3.318 1.00 22.44 H new ATOM 0 HH22 ARG A 87 -0.674 -15.083 4.885 1.00 22.44 H new ATOM 1419 N LYS A 88 -0.685 -15.502 -4.112 1.00 13.34 N ATOM 1420 CA LYS A 88 -0.607 -16.705 -4.996 1.00 63.03 C ATOM 1421 C LYS A 88 -0.638 -16.311 -6.480 1.00 23.42 C ATOM 1422 O LYS A 88 -0.228 -17.102 -7.342 1.00 13.22 O ATOM 1423 CB LYS A 88 -1.690 -17.762 -4.642 1.00 3.14 C ATOM 1424 CG LYS A 88 -3.154 -17.292 -4.727 1.00 42.41 C ATOM 1425 CD LYS A 88 -4.144 -18.350 -4.160 1.00 63.23 C ATOM 1426 CE LYS A 88 -5.601 -17.860 -4.120 1.00 44.44 C ATOM 1427 NZ LYS A 88 -6.503 -18.822 -3.438 1.00 51.21 N ATOM 0 H LYS A 88 -1.633 -15.184 -3.913 1.00 13.34 H new ATOM 0 HA LYS A 88 0.356 -17.182 -4.812 1.00 63.03 H new ATOM 0 HB2 LYS A 88 -1.565 -18.616 -5.308 1.00 3.14 H new ATOM 0 HB3 LYS A 88 -1.503 -18.118 -3.629 1.00 3.14 H new ATOM 0 HG2 LYS A 88 -3.267 -16.359 -4.175 1.00 42.41 H new ATOM 0 HG3 LYS A 88 -3.406 -17.081 -5.766 1.00 42.41 H new ATOM 0 HD2 LYS A 88 -4.088 -19.253 -4.769 1.00 63.23 H new ATOM 0 HD3 LYS A 88 -3.833 -18.625 -3.152 1.00 63.23 H new ATOM 0 HE2 LYS A 88 -5.644 -16.899 -3.607 1.00 44.44 H new ATOM 0 HE3 LYS A 88 -5.954 -17.694 -5.138 1.00 44.44 H new ATOM 0 HZ1 LYS A 88 -7.489 -18.614 -3.694 1.00 51.21 H new ATOM 0 HZ2 LYS A 88 -6.265 -19.790 -3.734 1.00 51.21 H new ATOM 0 HZ3 LYS A 88 -6.387 -18.736 -2.408 1.00 51.21 H new ATOM 1441 N GLN A 89 -1.137 -15.096 -6.784 1.00 33.42 N ATOM 1442 CA GLN A 89 -0.909 -14.460 -8.094 1.00 11.32 C ATOM 1443 C GLN A 89 0.556 -14.002 -8.180 1.00 51.04 C ATOM 1444 O GLN A 89 1.276 -14.335 -9.127 1.00 52.41 O ATOM 1445 CB GLN A 89 -1.855 -13.244 -8.310 1.00 31.22 C ATOM 1446 CG GLN A 89 -3.347 -13.582 -8.487 1.00 3.13 C ATOM 1447 CD GLN A 89 -4.227 -12.342 -8.703 1.00 63.31 C ATOM 1448 OE1 GLN A 89 -3.788 -11.339 -9.276 1.00 5.00 O ATOM 1449 NE2 GLN A 89 -5.471 -12.394 -8.249 1.00 14.21 N ATOM 0 H GLN A 89 -1.699 -14.538 -6.141 1.00 33.42 H new ATOM 0 HA GLN A 89 -1.123 -15.189 -8.875 1.00 11.32 H new ATOM 0 HB2 GLN A 89 -1.752 -12.571 -7.458 1.00 31.22 H new ATOM 0 HB3 GLN A 89 -1.518 -12.697 -9.191 1.00 31.22 H new ATOM 0 HG2 GLN A 89 -3.462 -14.254 -9.338 1.00 3.13 H new ATOM 0 HG3 GLN A 89 -3.698 -14.120 -7.606 1.00 3.13 H new ATOM 0 HE21 GLN A 89 -5.808 -13.235 -7.780 1.00 14.21 H new ATOM 0 HE22 GLN A 89 -6.092 -11.593 -8.369 1.00 14.21 H new ATOM 1458 N TYR A 90 0.977 -13.239 -7.155 1.00 0.43 N ATOM 1459 CA TYR A 90 2.316 -12.632 -7.078 1.00 22.31 C ATOM 1460 C TYR A 90 3.029 -13.162 -5.813 1.00 71.42 C ATOM 1461 O TYR A 90 2.782 -12.655 -4.725 1.00 61.13 O ATOM 1462 CB TYR A 90 2.184 -11.081 -7.036 1.00 44.05 C ATOM 1463 CG TYR A 90 1.299 -10.486 -8.155 1.00 21.04 C ATOM 1464 CD1 TYR A 90 1.789 -10.327 -9.455 1.00 41.31 C ATOM 1465 CD2 TYR A 90 -0.026 -10.094 -7.910 1.00 51.23 C ATOM 1466 CE1 TYR A 90 0.999 -9.799 -10.460 1.00 33.14 C ATOM 1467 CE2 TYR A 90 -0.817 -9.565 -8.916 1.00 32.04 C ATOM 1468 CZ TYR A 90 -0.301 -9.423 -10.190 1.00 51.14 C ATOM 1469 OH TYR A 90 -1.089 -8.913 -11.203 1.00 21.44 O ATOM 0 H TYR A 90 0.390 -13.025 -6.349 1.00 0.43 H new ATOM 0 HA TYR A 90 2.906 -12.898 -7.955 1.00 22.31 H new ATOM 0 HB2 TYR A 90 1.772 -10.789 -6.070 1.00 44.05 H new ATOM 0 HB3 TYR A 90 3.179 -10.642 -7.104 1.00 44.05 H new ATOM 0 HD1 TYR A 90 2.804 -10.622 -9.679 1.00 41.31 H new ATOM 0 HD2 TYR A 90 -0.437 -10.207 -6.918 1.00 51.23 H new ATOM 0 HE1 TYR A 90 1.400 -9.681 -11.456 1.00 33.14 H new ATOM 0 HE2 TYR A 90 -1.833 -9.265 -8.706 1.00 32.04 H new ATOM 0 HH TYR A 90 -0.812 -9.301 -12.059 1.00 21.44 H new ATOM 1479 N PRO A 91 3.893 -14.223 -5.916 1.00 23.04 N ATOM 1480 CA PRO A 91 4.541 -14.848 -4.724 1.00 52.52 C ATOM 1481 C PRO A 91 5.589 -13.945 -4.039 1.00 63.33 C ATOM 1482 O PRO A 91 5.950 -14.175 -2.880 1.00 4.22 O ATOM 1483 CB PRO A 91 5.178 -16.138 -5.306 1.00 45.02 C ATOM 1484 CG PRO A 91 5.429 -15.819 -6.752 1.00 22.35 C ATOM 1485 CD PRO A 91 4.287 -14.913 -7.177 1.00 40.35 C ATOM 0 HA PRO A 91 3.823 -15.036 -3.926 1.00 52.52 H new ATOM 0 HB2 PRO A 91 6.104 -16.390 -4.789 1.00 45.02 H new ATOM 0 HB3 PRO A 91 4.510 -16.993 -5.199 1.00 45.02 H new ATOM 0 HG2 PRO A 91 6.391 -15.324 -6.882 1.00 22.35 H new ATOM 0 HG3 PRO A 91 5.454 -16.727 -7.355 1.00 22.35 H new ATOM 0 HD2 PRO A 91 4.603 -14.202 -7.940 1.00 40.35 H new ATOM 0 HD3 PRO A 91 3.458 -15.484 -7.597 1.00 40.35 H new ATOM 1493 N LYS A 92 6.056 -12.913 -4.753 1.00 73.00 N ATOM 1494 CA LYS A 92 7.141 -12.037 -4.280 1.00 62.03 C ATOM 1495 C LYS A 92 6.636 -10.695 -3.707 1.00 62.53 C ATOM 1496 O LYS A 92 7.457 -9.842 -3.346 1.00 51.32 O ATOM 1497 CB LYS A 92 8.141 -11.803 -5.437 1.00 0.03 C ATOM 1498 CG LYS A 92 8.906 -13.075 -5.868 1.00 34.12 C ATOM 1499 CD LYS A 92 9.950 -12.796 -6.975 1.00 3.02 C ATOM 1500 CE LYS A 92 9.319 -12.303 -8.288 1.00 2.35 C ATOM 1501 NZ LYS A 92 10.339 -11.955 -9.312 1.00 72.01 N ATOM 0 H LYS A 92 5.695 -12.660 -5.673 1.00 73.00 H new ATOM 0 HA LYS A 92 7.637 -12.542 -3.451 1.00 62.03 H new ATOM 0 HB2 LYS A 92 7.601 -11.406 -6.297 1.00 0.03 H new ATOM 0 HB3 LYS A 92 8.861 -11.043 -5.134 1.00 0.03 H new ATOM 0 HG2 LYS A 92 9.408 -13.504 -5.001 1.00 34.12 H new ATOM 0 HG3 LYS A 92 8.194 -13.819 -6.225 1.00 34.12 H new ATOM 0 HD2 LYS A 92 10.660 -12.050 -6.617 1.00 3.02 H new ATOM 0 HD3 LYS A 92 10.516 -13.707 -7.170 1.00 3.02 H new ATOM 0 HE2 LYS A 92 8.660 -13.076 -8.684 1.00 2.35 H new ATOM 0 HE3 LYS A 92 8.700 -11.429 -8.085 1.00 2.35 H new ATOM 0 HZ1 LYS A 92 9.864 -11.628 -10.178 1.00 72.01 H new ATOM 0 HZ2 LYS A 92 10.953 -11.199 -8.947 1.00 72.01 H new ATOM 0 HZ3 LYS A 92 10.914 -12.794 -9.528 1.00 72.01 H new ATOM 1515 N VAL A 93 5.306 -10.505 -3.608 1.00 31.33 N ATOM 1516 CA VAL A 93 4.733 -9.284 -3.000 1.00 54.21 C ATOM 1517 C VAL A 93 4.772 -9.395 -1.456 1.00 30.34 C ATOM 1518 O VAL A 93 4.540 -10.480 -0.903 1.00 33.24 O ATOM 1519 CB VAL A 93 3.256 -9.020 -3.503 1.00 15.44 C ATOM 1520 CG1 VAL A 93 2.277 -10.126 -3.045 1.00 3.45 C ATOM 1521 CG2 VAL A 93 2.746 -7.625 -3.077 1.00 71.15 C ATOM 0 H VAL A 93 4.611 -11.175 -3.938 1.00 31.33 H new ATOM 0 HA VAL A 93 5.339 -8.434 -3.312 1.00 54.21 H new ATOM 0 HB VAL A 93 3.292 -9.045 -4.592 1.00 15.44 H new ATOM 0 HG11 VAL A 93 1.276 -9.902 -3.414 1.00 3.45 H new ATOM 0 HG12 VAL A 93 2.603 -11.087 -3.442 1.00 3.45 H new ATOM 0 HG13 VAL A 93 2.261 -10.170 -1.956 1.00 3.45 H new ATOM 0 HG21 VAL A 93 1.729 -7.483 -3.442 1.00 71.15 H new ATOM 0 HG22 VAL A 93 2.756 -7.551 -1.990 1.00 71.15 H new ATOM 0 HG23 VAL A 93 3.394 -6.856 -3.499 1.00 71.15 H new ATOM 1531 N GLU A 94 5.103 -8.292 -0.765 1.00 3.11 N ATOM 1532 CA GLU A 94 5.004 -8.226 0.699 1.00 44.32 C ATOM 1533 C GLU A 94 3.582 -7.814 1.066 1.00 32.20 C ATOM 1534 O GLU A 94 3.053 -6.857 0.501 1.00 12.54 O ATOM 1535 CB GLU A 94 6.031 -7.220 1.280 1.00 31.21 C ATOM 1536 CG GLU A 94 7.505 -7.610 1.047 1.00 2.52 C ATOM 1537 CD GLU A 94 7.899 -8.955 1.701 1.00 74.34 C ATOM 1538 OE1 GLU A 94 8.112 -8.998 2.935 1.00 42.02 O ATOM 1539 OE2 GLU A 94 8.002 -9.972 0.988 1.00 23.32 O ATOM 0 H GLU A 94 5.442 -7.433 -1.199 1.00 3.11 H new ATOM 0 HA GLU A 94 5.230 -9.203 1.125 1.00 44.32 H new ATOM 0 HB2 GLU A 94 5.852 -6.240 0.837 1.00 31.21 H new ATOM 0 HB3 GLU A 94 5.859 -7.121 2.352 1.00 31.21 H new ATOM 0 HG2 GLU A 94 7.692 -7.668 -0.025 1.00 2.52 H new ATOM 0 HG3 GLU A 94 8.147 -6.822 1.440 1.00 2.52 H new ATOM 1546 N THR A 95 2.949 -8.562 1.976 1.00 50.24 N ATOM 1547 CA THR A 95 1.568 -8.295 2.414 1.00 33.34 C ATOM 1548 C THR A 95 1.455 -8.443 3.937 1.00 43.32 C ATOM 1549 O THR A 95 2.379 -8.932 4.597 1.00 2.14 O ATOM 1550 CB THR A 95 0.527 -9.266 1.744 1.00 21.14 C ATOM 1551 OG1 THR A 95 0.753 -10.597 2.202 1.00 52.23 O ATOM 1552 CG2 THR A 95 0.579 -9.252 0.207 1.00 14.32 C ATOM 0 H THR A 95 3.376 -9.369 2.431 1.00 50.24 H new ATOM 0 HA THR A 95 1.338 -7.275 2.107 1.00 33.34 H new ATOM 0 HB THR A 95 -0.461 -8.910 2.036 1.00 21.14 H new ATOM 0 HG1 THR A 95 1.674 -10.679 2.527 1.00 52.23 H new ATOM 0 HG21 THR A 95 -0.165 -9.944 -0.189 1.00 14.32 H new ATOM 0 HG22 THR A 95 0.367 -8.246 -0.155 1.00 14.32 H new ATOM 0 HG23 THR A 95 1.571 -9.556 -0.126 1.00 14.32 H new ATOM 1560 N ARG A 96 0.316 -8.008 4.472 1.00 10.33 N ATOM 1561 CA ARG A 96 -0.130 -8.321 5.838 1.00 31.23 C ATOM 1562 C ARG A 96 -1.645 -8.106 5.901 1.00 52.43 C ATOM 1563 O ARG A 96 -2.156 -7.102 5.390 1.00 51.23 O ATOM 1564 CB ARG A 96 0.587 -7.452 6.926 1.00 14.52 C ATOM 1565 CG ARG A 96 -0.001 -7.623 8.352 1.00 34.01 C ATOM 1566 CD ARG A 96 0.618 -6.685 9.405 1.00 34.53 C ATOM 1567 NE ARG A 96 -0.142 -6.729 10.675 1.00 23.32 N ATOM 1568 CZ ARG A 96 0.029 -7.628 11.668 1.00 4.32 C ATOM 1569 NH1 ARG A 96 0.941 -8.592 11.576 1.00 71.02 N ATOM 1570 NH2 ARG A 96 -0.733 -7.566 12.750 1.00 41.21 N ATOM 0 H ARG A 96 -0.339 -7.416 3.962 1.00 10.33 H new ATOM 0 HA ARG A 96 0.130 -9.356 6.058 1.00 31.23 H new ATOM 0 HB2 ARG A 96 1.645 -7.712 6.946 1.00 14.52 H new ATOM 0 HB3 ARG A 96 0.522 -6.402 6.640 1.00 14.52 H new ATOM 0 HG2 ARG A 96 -1.076 -7.448 8.313 1.00 34.01 H new ATOM 0 HG3 ARG A 96 0.143 -8.655 8.671 1.00 34.01 H new ATOM 0 HD2 ARG A 96 1.653 -6.972 9.588 1.00 34.53 H new ATOM 0 HD3 ARG A 96 0.633 -5.664 9.023 1.00 34.53 H new ATOM 0 HE ARG A 96 -0.859 -6.016 10.812 1.00 23.32 H new ATOM 0 HH11 ARG A 96 1.527 -8.662 10.744 1.00 71.02 H new ATOM 0 HH12 ARG A 96 1.054 -9.261 12.337 1.00 71.02 H new ATOM 0 HH21 ARG A 96 -1.446 -6.841 12.831 1.00 41.21 H new ATOM 0 HH22 ARG A 96 -0.607 -8.243 13.502 1.00 41.21 H new ATOM 1584 N ARG A 97 -2.361 -9.067 6.492 1.00 63.24 N ATOM 1585 CA ARG A 97 -3.774 -8.903 6.823 1.00 53.41 C ATOM 1586 C ARG A 97 -3.893 -7.848 7.932 1.00 14.40 C ATOM 1587 O ARG A 97 -3.291 -7.990 9.007 1.00 52.33 O ATOM 1588 CB ARG A 97 -4.390 -10.239 7.288 1.00 73.10 C ATOM 1589 CG ARG A 97 -5.921 -10.197 7.519 1.00 55.53 C ATOM 1590 CD ARG A 97 -6.392 -11.299 8.476 1.00 64.35 C ATOM 1591 NE ARG A 97 -5.795 -11.116 9.813 1.00 23.34 N ATOM 1592 CZ ARG A 97 -5.473 -12.087 10.683 1.00 10.31 C ATOM 1593 NH1 ARG A 97 -5.659 -13.369 10.381 1.00 2.33 N ATOM 1594 NH2 ARG A 97 -4.953 -11.753 11.850 1.00 42.42 N ATOM 0 H ARG A 97 -1.977 -9.975 6.752 1.00 63.24 H new ATOM 0 HA ARG A 97 -4.320 -8.579 5.937 1.00 53.41 H new ATOM 0 HB2 ARG A 97 -4.169 -11.004 6.544 1.00 73.10 H new ATOM 0 HB3 ARG A 97 -3.904 -10.545 8.214 1.00 73.10 H new ATOM 0 HG2 ARG A 97 -6.199 -9.224 7.923 1.00 55.53 H new ATOM 0 HG3 ARG A 97 -6.434 -10.304 6.563 1.00 55.53 H new ATOM 0 HD2 ARG A 97 -7.479 -11.282 8.552 1.00 64.35 H new ATOM 0 HD3 ARG A 97 -6.115 -12.276 8.079 1.00 64.35 H new ATOM 0 HE ARG A 97 -5.608 -10.157 10.105 1.00 23.34 H new ATOM 0 HH11 ARG A 97 -6.052 -13.628 9.476 1.00 2.33 H new ATOM 0 HH12 ARG A 97 -5.409 -14.093 11.054 1.00 2.33 H new ATOM 0 HH21 ARG A 97 -4.802 -10.770 12.079 1.00 42.42 H new ATOM 0 HH22 ARG A 97 -4.703 -12.478 12.523 1.00 42.42 H new ATOM 1608 N ALA A 98 -4.653 -6.799 7.656 1.00 50.41 N ATOM 1609 CA ALA A 98 -4.814 -5.668 8.553 1.00 21.34 C ATOM 1610 C ALA A 98 -6.272 -5.229 8.487 1.00 2.23 C ATOM 1611 O ALA A 98 -6.697 -4.599 7.516 1.00 23.44 O ATOM 1612 CB ALA A 98 -3.844 -4.535 8.155 1.00 31.53 C ATOM 0 H ALA A 98 -5.183 -6.710 6.789 1.00 50.41 H new ATOM 0 HA ALA A 98 -4.571 -5.940 9.580 1.00 21.34 H new ATOM 0 HB1 ALA A 98 -3.972 -3.691 8.833 1.00 31.53 H new ATOM 0 HB2 ALA A 98 -2.818 -4.897 8.216 1.00 31.53 H new ATOM 0 HB3 ALA A 98 -4.056 -4.216 7.135 1.00 31.53 H new ATOM 1618 N GLN A 99 -7.029 -5.594 9.525 1.00 31.32 N ATOM 1619 CA GLN A 99 -8.471 -5.338 9.601 1.00 72.53 C ATOM 1620 C GLN A 99 -8.723 -3.932 10.125 1.00 15.14 C ATOM 1621 O GLN A 99 -9.480 -3.156 9.526 1.00 10.23 O ATOM 1622 CB GLN A 99 -9.164 -6.392 10.494 1.00 22.35 C ATOM 1623 CG GLN A 99 -9.091 -7.829 9.949 1.00 52.54 C ATOM 1624 CD GLN A 99 -9.661 -8.857 10.919 1.00 45.34 C ATOM 1625 OE1 GLN A 99 -8.944 -9.390 11.764 1.00 51.35 O ATOM 1626 NE2 GLN A 99 -10.945 -9.150 10.810 1.00 2.22 N ATOM 0 H GLN A 99 -6.657 -6.079 10.342 1.00 31.32 H new ATOM 0 HA GLN A 99 -8.896 -5.416 8.600 1.00 72.53 H new ATOM 0 HB2 GLN A 99 -8.709 -6.368 11.484 1.00 22.35 H new ATOM 0 HB3 GLN A 99 -10.211 -6.115 10.617 1.00 22.35 H new ATOM 0 HG2 GLN A 99 -9.636 -7.884 9.007 1.00 52.54 H new ATOM 0 HG3 GLN A 99 -8.052 -8.078 9.731 1.00 52.54 H new ATOM 0 HE21 GLN A 99 -11.514 -8.691 10.099 1.00 2.22 H new ATOM 0 HE22 GLN A 99 -11.367 -9.835 11.437 1.00 2.22 H new ATOM 1635 N ASP A 100 -8.074 -3.613 11.249 1.00 60.42 N ATOM 1636 CA ASP A 100 -8.204 -2.304 11.887 1.00 52.35 C ATOM 1637 C ASP A 100 -7.080 -1.373 11.398 1.00 71.41 C ATOM 1638 O ASP A 100 -5.988 -1.827 11.032 1.00 55.33 O ATOM 1639 CB ASP A 100 -8.183 -2.448 13.436 1.00 10.23 C ATOM 1640 CG ASP A 100 -8.789 -1.221 14.157 1.00 60.35 C ATOM 1641 OD1 ASP A 100 -9.992 -1.252 14.489 1.00 12.52 O ATOM 1642 OD2 ASP A 100 -8.092 -0.206 14.339 1.00 3.32 O ATOM 0 H ASP A 100 -7.448 -4.252 11.738 1.00 60.42 H new ATOM 0 HA ASP A 100 -9.162 -1.863 11.609 1.00 52.35 H new ATOM 0 HB2 ASP A 100 -8.737 -3.342 13.721 1.00 10.23 H new ATOM 0 HB3 ASP A 100 -7.155 -2.590 13.770 1.00 10.23 H new ATOM 1647 N LYS A 101 -7.382 -0.078 11.423 1.00 0.13 N ATOM 1648 CA LYS A 101 -6.500 1.019 10.978 1.00 53.24 C ATOM 1649 C LYS A 101 -5.156 1.077 11.750 1.00 62.44 C ATOM 1650 O LYS A 101 -4.142 1.556 11.207 1.00 52.22 O ATOM 1651 CB LYS A 101 -7.293 2.344 11.115 1.00 24.04 C ATOM 1652 CG LYS A 101 -7.892 2.572 12.522 1.00 62.43 C ATOM 1653 CD LYS A 101 -8.848 3.778 12.596 1.00 25.21 C ATOM 1654 CE LYS A 101 -9.385 4.009 14.010 1.00 1.11 C ATOM 1655 NZ LYS A 101 -10.234 5.227 14.078 1.00 25.44 N ATOM 0 H LYS A 101 -8.282 0.259 11.766 1.00 0.13 H new ATOM 0 HA LYS A 101 -6.216 0.845 9.940 1.00 53.24 H new ATOM 0 HB2 LYS A 101 -6.634 3.177 10.872 1.00 24.04 H new ATOM 0 HB3 LYS A 101 -8.100 2.351 10.382 1.00 24.04 H new ATOM 0 HG2 LYS A 101 -8.428 1.674 12.830 1.00 62.43 H new ATOM 0 HG3 LYS A 101 -7.080 2.718 13.234 1.00 62.43 H new ATOM 0 HD2 LYS A 101 -8.326 4.673 12.257 1.00 25.21 H new ATOM 0 HD3 LYS A 101 -9.683 3.619 11.914 1.00 25.21 H new ATOM 0 HE2 LYS A 101 -9.965 3.142 14.326 1.00 1.11 H new ATOM 0 HE3 LYS A 101 -8.551 4.106 14.706 1.00 1.11 H new ATOM 0 HZ1 LYS A 101 -10.730 5.254 14.992 1.00 25.44 H new ATOM 0 HZ2 LYS A 101 -9.636 6.073 13.983 1.00 25.44 H new ATOM 0 HZ3 LYS A 101 -10.931 5.208 13.307 1.00 25.44 H new ATOM 1669 N GLU A 102 -5.160 0.585 13.007 1.00 21.43 N ATOM 1670 CA GLU A 102 -3.944 0.504 13.839 1.00 40.33 C ATOM 1671 C GLU A 102 -2.936 -0.508 13.240 1.00 10.32 C ATOM 1672 O GLU A 102 -1.745 -0.213 13.125 1.00 63.03 O ATOM 1673 CB GLU A 102 -4.291 0.142 15.311 1.00 2.00 C ATOM 1674 CG GLU A 102 -5.186 -1.099 15.482 1.00 64.42 C ATOM 1675 CD GLU A 102 -5.430 -1.478 16.949 1.00 32.15 C ATOM 1676 OE1 GLU A 102 -4.843 -2.472 17.432 1.00 65.20 O ATOM 1677 OE2 GLU A 102 -6.196 -0.766 17.637 1.00 32.42 O ATOM 0 H GLU A 102 -6.000 0.236 13.469 1.00 21.43 H new ATOM 0 HA GLU A 102 -3.475 1.488 13.844 1.00 40.33 H new ATOM 0 HB2 GLU A 102 -3.362 -0.020 15.858 1.00 2.00 H new ATOM 0 HB3 GLU A 102 -4.788 0.996 15.772 1.00 2.00 H new ATOM 0 HG2 GLU A 102 -6.145 -0.915 14.998 1.00 64.42 H new ATOM 0 HG3 GLU A 102 -4.726 -1.943 14.968 1.00 64.42 H new ATOM 1684 N GLU A 103 -3.437 -1.689 12.831 1.00 33.34 N ATOM 1685 CA GLU A 103 -2.610 -2.757 12.226 1.00 50.34 C ATOM 1686 C GLU A 103 -1.964 -2.279 10.918 1.00 5.11 C ATOM 1687 O GLU A 103 -0.835 -2.667 10.593 1.00 4.52 O ATOM 1688 CB GLU A 103 -3.462 -4.017 11.960 1.00 54.43 C ATOM 1689 CG GLU A 103 -4.221 -4.546 13.188 1.00 74.14 C ATOM 1690 CD GLU A 103 -4.979 -5.837 12.876 1.00 74.24 C ATOM 1691 OE1 GLU A 103 -6.151 -5.762 12.441 1.00 23.12 O ATOM 1692 OE2 GLU A 103 -4.385 -6.929 13.009 1.00 50.20 O ATOM 0 H GLU A 103 -4.425 -1.932 12.909 1.00 33.34 H new ATOM 0 HA GLU A 103 -1.818 -3.006 12.933 1.00 50.34 H new ATOM 0 HB2 GLU A 103 -4.182 -3.794 11.173 1.00 54.43 H new ATOM 0 HB3 GLU A 103 -2.812 -4.806 11.583 1.00 54.43 H new ATOM 0 HG2 GLU A 103 -3.517 -4.725 14.001 1.00 74.14 H new ATOM 0 HG3 GLU A 103 -4.923 -3.788 13.536 1.00 74.14 H new ATOM 1699 N VAL A 104 -2.704 -1.425 10.190 1.00 54.40 N ATOM 1700 CA VAL A 104 -2.252 -0.848 8.924 1.00 21.20 C ATOM 1701 C VAL A 104 -1.058 0.089 9.156 1.00 61.21 C ATOM 1702 O VAL A 104 0.000 -0.105 8.558 1.00 15.22 O ATOM 1703 CB VAL A 104 -3.401 -0.068 8.197 1.00 54.32 C ATOM 1704 CG1 VAL A 104 -2.930 0.458 6.826 1.00 53.12 C ATOM 1705 CG2 VAL A 104 -4.661 -0.947 8.048 1.00 41.44 C ATOM 0 H VAL A 104 -3.636 -1.118 10.469 1.00 54.40 H new ATOM 0 HA VAL A 104 -1.946 -1.675 8.283 1.00 21.20 H new ATOM 0 HB VAL A 104 -3.664 0.791 8.814 1.00 54.32 H new ATOM 0 HG11 VAL A 104 -3.746 0.995 6.343 1.00 53.12 H new ATOM 0 HG12 VAL A 104 -2.084 1.132 6.966 1.00 53.12 H new ATOM 0 HG13 VAL A 104 -2.626 -0.381 6.199 1.00 53.12 H new ATOM 0 HG21 VAL A 104 -5.442 -0.381 7.540 1.00 41.44 H new ATOM 0 HG22 VAL A 104 -4.418 -1.835 7.464 1.00 41.44 H new ATOM 0 HG23 VAL A 104 -5.014 -1.247 9.035 1.00 41.44 H new ATOM 1715 N LYS A 105 -1.239 1.082 10.061 1.00 53.23 N ATOM 1716 CA LYS A 105 -0.227 2.127 10.307 1.00 72.44 C ATOM 1717 C LYS A 105 1.092 1.520 10.831 1.00 23.54 C ATOM 1718 O LYS A 105 2.180 1.996 10.476 1.00 24.03 O ATOM 1719 CB LYS A 105 -0.765 3.228 11.272 1.00 43.31 C ATOM 1720 CG LYS A 105 -1.072 2.767 12.710 1.00 53.33 C ATOM 1721 CD LYS A 105 -1.533 3.923 13.626 1.00 14.33 C ATOM 1722 CE LYS A 105 -1.762 3.479 15.076 1.00 55.25 C ATOM 1723 NZ LYS A 105 -2.246 4.587 15.942 1.00 41.10 N ATOM 0 H LYS A 105 -2.079 1.177 10.631 1.00 53.23 H new ATOM 0 HA LYS A 105 -0.014 2.605 9.351 1.00 72.44 H new ATOM 0 HB2 LYS A 105 -0.033 4.034 11.317 1.00 43.31 H new ATOM 0 HB3 LYS A 105 -1.675 3.648 10.843 1.00 43.31 H new ATOM 0 HG2 LYS A 105 -1.846 2.000 12.683 1.00 53.33 H new ATOM 0 HG3 LYS A 105 -0.181 2.305 13.136 1.00 53.33 H new ATOM 0 HD2 LYS A 105 -0.785 4.715 13.608 1.00 14.33 H new ATOM 0 HD3 LYS A 105 -2.456 4.347 13.231 1.00 14.33 H new ATOM 0 HE2 LYS A 105 -2.487 2.666 15.093 1.00 55.25 H new ATOM 0 HE3 LYS A 105 -0.831 3.084 15.483 1.00 55.25 H new ATOM 0 HZ1 LYS A 105 -2.272 4.268 16.932 1.00 41.10 H new ATOM 0 HZ2 LYS A 105 -1.603 5.400 15.857 1.00 41.10 H new ATOM 0 HZ3 LYS A 105 -3.202 4.868 15.644 1.00 41.10 H new ATOM 1737 N ASP A 106 0.989 0.470 11.681 1.00 10.23 N ATOM 1738 CA ASP A 106 2.163 -0.266 12.188 1.00 42.41 C ATOM 1739 C ASP A 106 2.890 -1.020 11.060 1.00 54.02 C ATOM 1740 O ASP A 106 4.122 -1.016 11.010 1.00 11.12 O ATOM 1741 CB ASP A 106 1.772 -1.262 13.312 1.00 74.33 C ATOM 1742 CG ASP A 106 1.172 -0.597 14.565 1.00 72.40 C ATOM 1743 OD1 ASP A 106 1.738 0.403 15.054 1.00 1.21 O ATOM 1744 OD2 ASP A 106 0.157 -1.100 15.092 1.00 53.22 O ATOM 0 H ASP A 106 0.098 0.116 12.029 1.00 10.23 H new ATOM 0 HA ASP A 106 2.841 0.480 12.603 1.00 42.41 H new ATOM 0 HB2 ASP A 106 1.052 -1.977 12.914 1.00 74.33 H new ATOM 0 HB3 ASP A 106 2.656 -1.829 13.603 1.00 74.33 H new ATOM 1749 N ALA A 107 2.112 -1.655 10.154 1.00 2.32 N ATOM 1750 CA ALA A 107 2.660 -2.407 9.000 1.00 2.23 C ATOM 1751 C ALA A 107 3.409 -1.463 8.038 1.00 53.33 C ATOM 1752 O ALA A 107 4.417 -1.848 7.436 1.00 32.03 O ATOM 1753 CB ALA A 107 1.535 -3.152 8.263 1.00 21.03 C ATOM 0 H ALA A 107 1.093 -1.661 10.201 1.00 2.32 H new ATOM 0 HA ALA A 107 3.372 -3.142 9.376 1.00 2.23 H new ATOM 0 HB1 ALA A 107 1.954 -3.699 7.418 1.00 21.03 H new ATOM 0 HB2 ALA A 107 1.054 -3.852 8.946 1.00 21.03 H new ATOM 0 HB3 ALA A 107 0.799 -2.434 7.901 1.00 21.03 H new ATOM 1759 N VAL A 108 2.895 -0.221 7.928 1.00 70.54 N ATOM 1760 CA VAL A 108 3.515 0.857 7.152 1.00 74.12 C ATOM 1761 C VAL A 108 4.909 1.174 7.723 1.00 63.43 C ATOM 1762 O VAL A 108 5.909 1.031 7.016 1.00 21.20 O ATOM 1763 CB VAL A 108 2.597 2.144 7.141 1.00 42.10 C ATOM 1764 CG1 VAL A 108 3.306 3.372 6.527 1.00 43.25 C ATOM 1765 CG2 VAL A 108 1.268 1.873 6.395 1.00 20.43 C ATOM 0 H VAL A 108 2.026 0.059 8.384 1.00 70.54 H new ATOM 0 HA VAL A 108 3.628 0.528 6.119 1.00 74.12 H new ATOM 0 HB VAL A 108 2.381 2.376 8.184 1.00 42.10 H new ATOM 0 HG11 VAL A 108 2.631 4.228 6.544 1.00 43.25 H new ATOM 0 HG12 VAL A 108 4.200 3.603 7.106 1.00 43.25 H new ATOM 0 HG13 VAL A 108 3.587 3.152 5.497 1.00 43.25 H new ATOM 0 HG21 VAL A 108 0.656 2.775 6.403 1.00 20.43 H new ATOM 0 HG22 VAL A 108 1.481 1.588 5.365 1.00 20.43 H new ATOM 0 HG23 VAL A 108 0.730 1.065 6.892 1.00 20.43 H new ATOM 1775 N GLU A 109 4.958 1.522 9.032 1.00 3.51 N ATOM 1776 CA GLU A 109 6.218 1.883 9.726 1.00 24.41 C ATOM 1777 C GLU A 109 7.243 0.733 9.647 1.00 32.31 C ATOM 1778 O GLU A 109 8.444 0.973 9.517 1.00 5.12 O ATOM 1779 CB GLU A 109 5.959 2.220 11.215 1.00 32.34 C ATOM 1780 CG GLU A 109 7.200 2.763 11.970 1.00 70.22 C ATOM 1781 CD GLU A 109 7.139 2.566 13.497 1.00 75.54 C ATOM 1782 OE1 GLU A 109 7.716 1.580 14.010 1.00 51.13 O ATOM 1783 OE2 GLU A 109 6.528 3.390 14.194 1.00 73.24 O ATOM 0 H GLU A 109 4.134 1.560 9.631 1.00 3.51 H new ATOM 0 HA GLU A 109 6.620 2.762 9.222 1.00 24.41 H new ATOM 0 HB2 GLU A 109 5.160 2.959 11.275 1.00 32.34 H new ATOM 0 HB3 GLU A 109 5.603 1.323 11.722 1.00 32.34 H new ATOM 0 HG2 GLU A 109 8.092 2.268 11.585 1.00 70.22 H new ATOM 0 HG3 GLU A 109 7.307 3.826 11.755 1.00 70.22 H new ATOM 1790 N GLU A 110 6.730 -0.512 9.709 1.00 3.12 N ATOM 1791 CA GLU A 110 7.542 -1.733 9.659 1.00 43.44 C ATOM 1792 C GLU A 110 8.277 -1.825 8.307 1.00 52.31 C ATOM 1793 O GLU A 110 9.487 -2.026 8.263 1.00 50.12 O ATOM 1794 CB GLU A 110 6.623 -2.971 9.850 1.00 70.33 C ATOM 1795 CG GLU A 110 7.354 -4.320 10.040 1.00 70.11 C ATOM 1796 CD GLU A 110 8.063 -4.453 11.404 1.00 62.41 C ATOM 1797 OE1 GLU A 110 9.238 -4.051 11.530 1.00 50.25 O ATOM 1798 OE2 GLU A 110 7.433 -4.949 12.365 1.00 35.20 O ATOM 0 H GLU A 110 5.730 -0.694 9.796 1.00 3.12 H new ATOM 0 HA GLU A 110 8.283 -1.706 10.458 1.00 43.44 H new ATOM 0 HB2 GLU A 110 5.985 -2.798 10.717 1.00 70.33 H new ATOM 0 HB3 GLU A 110 5.967 -3.052 8.983 1.00 70.33 H new ATOM 0 HG2 GLU A 110 6.634 -5.132 9.934 1.00 70.11 H new ATOM 0 HG3 GLU A 110 8.090 -4.440 9.245 1.00 70.11 H new ATOM 1805 N PHE A 111 7.506 -1.611 7.218 1.00 3.15 N ATOM 1806 CA PHE A 111 7.992 -1.679 5.824 1.00 10.34 C ATOM 1807 C PHE A 111 9.039 -0.571 5.554 1.00 42.54 C ATOM 1808 O PHE A 111 9.979 -0.759 4.777 1.00 4.40 O ATOM 1809 CB PHE A 111 6.767 -1.545 4.862 1.00 32.21 C ATOM 1810 CG PHE A 111 7.026 -1.895 3.391 1.00 33.24 C ATOM 1811 CD1 PHE A 111 6.991 -3.225 2.958 1.00 54.23 C ATOM 1812 CD2 PHE A 111 7.290 -0.904 2.442 1.00 10.30 C ATOM 1813 CE1 PHE A 111 7.220 -3.545 1.632 1.00 45.53 C ATOM 1814 CE2 PHE A 111 7.520 -1.230 1.119 1.00 11.01 C ATOM 1815 CZ PHE A 111 7.486 -2.548 0.715 1.00 41.44 C ATOM 0 H PHE A 111 6.514 -1.383 7.285 1.00 3.15 H new ATOM 0 HA PHE A 111 8.484 -2.636 5.651 1.00 10.34 H new ATOM 0 HB2 PHE A 111 5.968 -2.187 5.232 1.00 32.21 H new ATOM 0 HB3 PHE A 111 6.401 -0.519 4.912 1.00 32.21 H new ATOM 0 HD1 PHE A 111 6.783 -4.012 3.668 1.00 54.23 H new ATOM 0 HD2 PHE A 111 7.315 0.132 2.747 1.00 10.30 H new ATOM 0 HE1 PHE A 111 7.191 -4.577 1.314 1.00 45.53 H new ATOM 0 HE2 PHE A 111 7.727 -0.451 0.400 1.00 11.01 H new ATOM 0 HZ PHE A 111 7.668 -2.800 -0.319 1.00 41.44 H new ATOM 1825 N LEU A 112 8.851 0.582 6.220 1.00 73.10 N ATOM 1826 CA LEU A 112 9.719 1.764 6.063 1.00 20.41 C ATOM 1827 C LEU A 112 11.053 1.617 6.827 1.00 24.41 C ATOM 1828 O LEU A 112 12.115 1.957 6.288 1.00 33.13 O ATOM 1829 CB LEU A 112 8.948 3.024 6.525 1.00 71.30 C ATOM 1830 CG LEU A 112 7.618 3.305 5.758 1.00 50.24 C ATOM 1831 CD1 LEU A 112 6.867 4.507 6.339 1.00 75.22 C ATOM 1832 CD2 LEU A 112 7.868 3.483 4.256 1.00 44.13 C ATOM 0 H LEU A 112 8.090 0.721 6.885 1.00 73.10 H new ATOM 0 HA LEU A 112 9.980 1.861 5.009 1.00 20.41 H new ATOM 0 HB2 LEU A 112 8.723 2.924 7.587 1.00 71.30 H new ATOM 0 HB3 LEU A 112 9.601 3.890 6.418 1.00 71.30 H new ATOM 0 HG LEU A 112 6.981 2.430 5.890 1.00 50.24 H new ATOM 0 HD11 LEU A 112 5.947 4.668 5.776 1.00 75.22 H new ATOM 0 HD12 LEU A 112 6.624 4.314 7.384 1.00 75.22 H new ATOM 0 HD13 LEU A 112 7.494 5.396 6.271 1.00 75.22 H new ATOM 0 HD21 LEU A 112 6.922 3.677 3.750 1.00 44.13 H new ATOM 0 HD22 LEU A 112 8.544 4.323 4.097 1.00 44.13 H new ATOM 0 HD23 LEU A 112 8.316 2.575 3.852 1.00 44.13 H new ATOM 1844 N LYS A 113 11.000 1.102 8.071 1.00 11.30 N ATOM 1845 CA LYS A 113 12.205 0.933 8.926 1.00 51.23 C ATOM 1846 C LYS A 113 13.044 -0.280 8.504 1.00 42.24 C ATOM 1847 O LYS A 113 14.239 -0.358 8.818 1.00 41.35 O ATOM 1848 CB LYS A 113 11.813 0.835 10.422 1.00 42.03 C ATOM 1849 CG LYS A 113 11.344 2.166 11.023 1.00 20.05 C ATOM 1850 CD LYS A 113 11.072 2.108 12.538 1.00 35.52 C ATOM 1851 CE LYS A 113 10.628 3.469 13.094 1.00 42.24 C ATOM 1852 NZ LYS A 113 10.247 3.405 14.532 1.00 2.33 N ATOM 0 H LYS A 113 10.134 0.793 8.513 1.00 11.30 H new ATOM 0 HA LYS A 113 12.824 1.820 8.788 1.00 51.23 H new ATOM 0 HB2 LYS A 113 11.019 0.096 10.533 1.00 42.03 H new ATOM 0 HB3 LYS A 113 12.669 0.471 10.990 1.00 42.03 H new ATOM 0 HG2 LYS A 113 12.100 2.927 10.829 1.00 20.05 H new ATOM 0 HG3 LYS A 113 10.434 2.483 10.513 1.00 20.05 H new ATOM 0 HD2 LYS A 113 10.301 1.365 12.740 1.00 35.52 H new ATOM 0 HD3 LYS A 113 11.973 1.781 13.056 1.00 35.52 H new ATOM 0 HE2 LYS A 113 11.436 4.190 12.968 1.00 42.24 H new ATOM 0 HE3 LYS A 113 9.781 3.835 12.514 1.00 42.24 H new ATOM 0 HZ1 LYS A 113 9.798 4.300 14.812 1.00 2.33 H new ATOM 0 HZ2 LYS A 113 9.579 2.622 14.680 1.00 2.33 H new ATOM 0 HZ3 LYS A 113 11.097 3.248 15.110 1.00 2.33 H new ATOM 1866 N GLU A 114 12.403 -1.237 7.823 1.00 12.21 N ATOM 1867 CA GLU A 114 13.106 -2.338 7.159 1.00 21.14 C ATOM 1868 C GLU A 114 13.610 -1.898 5.769 1.00 34.24 C ATOM 1869 O GLU A 114 14.512 -2.528 5.204 1.00 22.51 O ATOM 1870 CB GLU A 114 12.185 -3.581 7.068 1.00 32.41 C ATOM 1871 CG GLU A 114 11.825 -4.200 8.442 1.00 2.30 C ATOM 1872 CD GLU A 114 13.066 -4.568 9.281 1.00 72.04 C ATOM 1873 OE1 GLU A 114 13.762 -5.542 8.925 1.00 53.31 O ATOM 1874 OE2 GLU A 114 13.367 -3.881 10.288 1.00 31.13 O ATOM 0 H GLU A 114 11.389 -1.269 7.718 1.00 12.21 H new ATOM 0 HA GLU A 114 13.979 -2.612 7.751 1.00 21.14 H new ATOM 0 HB2 GLU A 114 11.265 -3.302 6.554 1.00 32.41 H new ATOM 0 HB3 GLU A 114 12.674 -4.339 6.456 1.00 32.41 H new ATOM 0 HG2 GLU A 114 11.211 -3.495 9.002 1.00 2.30 H new ATOM 0 HG3 GLU A 114 11.221 -5.094 8.285 1.00 2.30 H new