USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 41 SER OG : rot -32:sc= -0.454! USER MOD Set 1.2: A 69 MET CE :methyl 149:sc= -0.402 (180deg=-2.06!) USER MOD Set 1.3: A 71 TYR OH : rot -122:sc= 0.34 USER MOD Set 2.1: A 54 GLN : amide:sc= -0.0401 K(o=-1.2,f=-1.9!) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.15 K(o=-1.2,f=-1.9) USER MOD Set 3.1: A 25 GLN : amide:sc= -5.03! C(o=-5.6!,f=-7.4!) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 7 SER OG : rot 43:sc= 0.0629 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 13 SER OG : rot -28:sc= 0.672 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -0.622 (180deg=-2.49) USER MOD Single : A 17 SER OG : rot -64:sc= -2.37! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.605 (180deg=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.032) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.97) USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= 0.349 (180deg=-0.718) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0519 (180deg=-0.418) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00631 X(o=-0.0063,f=-0.026) USER MOD Single : A 64 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.87) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc=-0.00935 F(o=-1.4!,f=-0.0093) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -4.56! C(o=-4.6!,f=-11!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 85:sc= -1.37 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -113:sc= 0.27 USER MOD Single : A 92 SER OG : rot 180:sc= 0.085 USER MOD Single : A 93 MET CE :methyl -132:sc= -1.5 (180deg=-4.61!) USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= -0.158 (180deg=-0.683) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 10.165 10.962 -4.707 1.00 0.00 N ATOM 66 CA PRO A 5 10.275 9.475 -4.816 1.00 0.00 C ATOM 67 C PRO A 5 9.335 8.741 -3.848 1.00 0.00 C ATOM 68 O PRO A 5 8.867 9.325 -2.871 1.00 0.00 O ATOM 69 CB PRO A 5 11.745 9.213 -4.470 1.00 0.00 C ATOM 70 CG PRO A 5 12.474 10.437 -4.929 1.00 0.00 C ATOM 71 CD PRO A 5 11.487 11.610 -4.803 1.00 0.00 C ATOM 0 HA PRO A 5 9.985 9.108 -5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.876 9.053 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.116 8.320 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.361 10.610 -4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.811 10.323 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.699 12.216 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.544 12.273 -5.666 1.00 0.00 H new ATOM 79 N PRO A 6 9.055 7.476 -4.099 1.00 0.00 N ATOM 80 CA PRO A 6 8.160 6.646 -3.235 1.00 0.00 C ATOM 81 C PRO A 6 8.299 6.929 -1.739 1.00 0.00 C ATOM 82 O PRO A 6 9.222 7.611 -1.296 1.00 0.00 O ATOM 83 CB PRO A 6 8.598 5.226 -3.581 1.00 0.00 C ATOM 84 CG PRO A 6 8.886 5.303 -5.035 1.00 0.00 C ATOM 85 CD PRO A 6 9.542 6.677 -5.252 1.00 0.00 C ATOM 0 HA PRO A 6 7.106 6.852 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.478 4.926 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.815 4.499 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.551 4.497 -5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.972 5.207 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.630 6.606 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.243 7.119 -6.202 1.00 0.00 H new ATOM 93 N SER A 7 7.337 6.407 -0.979 1.00 0.00 N ATOM 94 CA SER A 7 7.290 6.602 0.463 1.00 0.00 C ATOM 95 C SER A 7 6.473 5.472 1.108 1.00 0.00 C ATOM 96 O SER A 7 5.489 5.712 1.806 1.00 0.00 O ATOM 97 CB SER A 7 6.644 7.968 0.735 1.00 0.00 C ATOM 98 OG SER A 7 7.657 8.910 1.063 1.00 0.00 O ATOM 0 H SER A 7 6.573 5.840 -1.347 1.00 0.00 H new ATOM 0 HA SER A 7 8.292 6.580 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.091 8.303 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.927 7.888 1.552 1.00 0.00 H new ATOM 0 HG SER A 7 8.419 8.796 0.457 1.00 0.00 H new ATOM 104 N ILE A 8 6.866 4.234 0.832 1.00 0.00 N ATOM 105 CA ILE A 8 6.147 3.071 1.352 1.00 0.00 C ATOM 106 C ILE A 8 7.129 2.069 1.940 1.00 0.00 C ATOM 107 O ILE A 8 8.105 1.692 1.290 1.00 0.00 O ATOM 108 CB ILE A 8 5.385 2.385 0.210 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.581 3.417 -0.609 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.448 1.304 0.775 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.286 3.811 0.087 1.00 0.00 C ATOM 0 H ILE A 8 7.675 4.007 0.254 1.00 0.00 H new ATOM 0 HA ILE A 8 5.454 3.407 2.123 1.00 0.00 H new ATOM 0 HB ILE A 8 6.109 1.913 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.191 4.306 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.354 3.003 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.912 0.823 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.035 0.559 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.733 1.763 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.752 4.539 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.664 2.927 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.514 4.250 1.058 1.00 0.00 H new ATOM 123 N HIS A 9 6.854 1.623 3.162 1.00 0.00 N ATOM 124 CA HIS A 9 7.708 0.634 3.824 1.00 0.00 C ATOM 125 C HIS A 9 6.858 -0.569 4.221 1.00 0.00 C ATOM 126 O HIS A 9 5.979 -0.452 5.073 1.00 0.00 O ATOM 127 CB HIS A 9 8.349 1.263 5.080 1.00 0.00 C ATOM 128 CG HIS A 9 9.757 0.748 5.263 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.816 1.225 4.508 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.289 -0.208 6.093 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.920 0.560 4.891 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.656 -0.325 5.855 1.00 0.00 N ATOM 0 H HIS A 9 6.052 1.927 3.714 1.00 0.00 H new ATOM 0 HA HIS A 9 8.499 0.313 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.361 2.349 4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.751 1.026 5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.732 -0.781 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.901 0.722 4.470 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.314 -0.952 6.318 1.00 0.00 H new ATOM 140 N GLY A 10 7.122 -1.722 3.613 1.00 0.00 N ATOM 141 CA GLY A 10 6.359 -2.926 3.931 1.00 0.00 C ATOM 142 C GLY A 10 7.010 -3.689 5.069 1.00 0.00 C ATOM 143 O GLY A 10 8.232 -3.825 5.121 1.00 0.00 O ATOM 0 H GLY A 10 7.847 -1.849 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.340 -2.655 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.293 -3.564 3.050 1.00 0.00 H new ATOM 147 N GLN A 11 6.185 -4.187 5.984 1.00 0.00 N ATOM 148 CA GLN A 11 6.698 -4.940 7.134 1.00 0.00 C ATOM 149 C GLN A 11 5.802 -6.149 7.429 1.00 0.00 C ATOM 150 O GLN A 11 4.629 -5.970 7.763 1.00 0.00 O ATOM 151 CB GLN A 11 6.739 -4.030 8.368 1.00 0.00 C ATOM 152 CG GLN A 11 7.540 -4.702 9.522 1.00 0.00 C ATOM 153 CD GLN A 11 6.682 -4.839 10.781 1.00 0.00 C ATOM 154 OE1 GLN A 11 5.810 -5.705 10.847 1.00 0.00 O ATOM 155 NE2 GLN A 11 6.882 -4.033 11.787 1.00 0.00 N ATOM 0 H GLN A 11 5.170 -4.087 5.958 1.00 0.00 H new ATOM 0 HA GLN A 11 7.702 -5.292 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.198 -3.076 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.724 -3.815 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.885 -5.686 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.427 -4.110 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.605 -3.316 11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.315 -4.120 12.631 1.00 0.00 H new ATOM 164 N PRO A 12 6.298 -7.367 7.323 1.00 0.00 N ATOM 165 CA PRO A 12 5.456 -8.563 7.599 1.00 0.00 C ATOM 166 C PRO A 12 4.765 -8.465 8.959 1.00 0.00 C ATOM 167 O PRO A 12 5.385 -8.689 10.000 1.00 0.00 O ATOM 168 CB PRO A 12 6.430 -9.762 7.558 1.00 0.00 C ATOM 169 CG PRO A 12 7.702 -9.269 6.918 1.00 0.00 C ATOM 170 CD PRO A 12 7.676 -7.732 6.936 1.00 0.00 C ATOM 0 HA PRO A 12 4.654 -8.662 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.623 -10.137 8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.004 -10.586 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.571 -9.642 7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.782 -9.637 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.402 -7.335 7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.931 -7.323 5.958 1.00 0.00 H new ATOM 178 N SER A 13 3.473 -8.152 8.937 1.00 0.00 N ATOM 179 CA SER A 13 2.694 -8.051 10.166 1.00 0.00 C ATOM 180 C SER A 13 2.183 -9.430 10.557 1.00 0.00 C ATOM 181 O SER A 13 2.326 -10.387 9.795 1.00 0.00 O ATOM 182 CB SER A 13 1.515 -7.097 9.970 1.00 0.00 C ATOM 183 OG SER A 13 0.599 -7.668 9.048 1.00 0.00 O ATOM 0 H SER A 13 2.945 -7.965 8.085 1.00 0.00 H new ATOM 0 HA SER A 13 3.331 -7.660 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.021 -6.910 10.923 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.869 -6.134 9.601 1.00 0.00 H new ATOM 0 HG SER A 13 1.081 -8.256 8.430 1.00 0.00 H new ATOM 189 N SER A 14 1.593 -9.534 11.742 1.00 0.00 N ATOM 190 CA SER A 14 1.074 -10.815 12.213 1.00 0.00 C ATOM 191 C SER A 14 0.370 -11.563 11.081 1.00 0.00 C ATOM 192 O SER A 14 -0.738 -11.205 10.682 1.00 0.00 O ATOM 193 CB SER A 14 0.089 -10.585 13.360 1.00 0.00 C ATOM 194 OG SER A 14 0.687 -9.733 14.329 1.00 0.00 O ATOM 0 H SER A 14 1.462 -8.757 12.389 1.00 0.00 H new ATOM 0 HA SER A 14 1.912 -11.417 12.563 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.829 -10.136 12.982 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.185 -11.537 13.815 1.00 0.00 H new ATOM 0 HG SER A 14 0.058 -9.582 15.065 1.00 0.00 H new ATOM 200 N GLY A 15 1.021 -12.609 10.578 1.00 0.00 N ATOM 201 CA GLY A 15 0.454 -13.415 9.497 1.00 0.00 C ATOM 202 C GLY A 15 0.935 -12.951 8.125 1.00 0.00 C ATOM 203 O GLY A 15 2.024 -12.391 7.989 1.00 0.00 O ATOM 0 H GLY A 15 1.938 -12.919 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.727 -14.460 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.634 -13.361 9.537 1.00 0.00 H new ATOM 207 N LYS A 16 0.120 -13.220 7.110 1.00 0.00 N ATOM 208 CA LYS A 16 0.460 -12.866 5.734 1.00 0.00 C ATOM 209 C LYS A 16 0.250 -11.379 5.471 1.00 0.00 C ATOM 210 O LYS A 16 0.787 -10.836 4.510 1.00 0.00 O ATOM 211 CB LYS A 16 -0.415 -13.683 4.760 1.00 0.00 C ATOM 212 CG LYS A 16 -0.816 -15.015 5.397 1.00 0.00 C ATOM 213 CD LYS A 16 -1.342 -15.969 4.319 1.00 0.00 C ATOM 214 CE LYS A 16 -2.555 -15.348 3.619 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.453 -14.723 4.631 1.00 0.00 N ATOM 0 H LYS A 16 -0.783 -13.683 7.214 1.00 0.00 H new ATOM 0 HA LYS A 16 1.514 -13.095 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.307 -13.114 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.131 -13.864 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.041 -15.460 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.582 -14.850 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.558 -16.176 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.620 -16.922 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.227 -14.599 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.096 -16.112 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.429 -14.717 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.413 -15.269 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.145 -13.746 4.813 1.00 0.00 H new ATOM 229 N SER A 17 -0.543 -10.725 6.302 1.00 0.00 N ATOM 230 CA SER A 17 -0.819 -9.316 6.082 1.00 0.00 C ATOM 231 C SER A 17 0.465 -8.496 6.090 1.00 0.00 C ATOM 232 O SER A 17 1.364 -8.737 6.896 1.00 0.00 O ATOM 233 CB SER A 17 -1.771 -8.794 7.153 1.00 0.00 C ATOM 234 OG SER A 17 -2.213 -7.498 6.782 1.00 0.00 O ATOM 0 H SER A 17 -0.998 -11.135 7.118 1.00 0.00 H new ATOM 0 HA SER A 17 -1.285 -9.214 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.622 -9.466 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.268 -8.759 8.120 1.00 0.00 H new ATOM 0 HG SER A 17 -1.450 -6.884 6.768 1.00 0.00 H new ATOM 240 N PHE A 18 0.552 -7.529 5.166 1.00 0.00 N ATOM 241 CA PHE A 18 1.742 -6.677 5.052 1.00 0.00 C ATOM 242 C PHE A 18 1.409 -5.234 5.433 1.00 0.00 C ATOM 243 O PHE A 18 0.539 -4.604 4.833 1.00 0.00 O ATOM 244 CB PHE A 18 2.288 -6.746 3.597 1.00 0.00 C ATOM 245 CG PHE A 18 3.767 -7.089 3.603 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.192 -8.307 4.140 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.707 -6.190 3.083 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.553 -8.626 4.160 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.067 -6.511 3.100 1.00 0.00 C ATOM 250 CZ PHE A 18 6.491 -7.724 3.641 1.00 0.00 C ATOM 0 H PHE A 18 -0.183 -7.319 4.491 1.00 0.00 H new ATOM 0 HA PHE A 18 2.507 -7.037 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.736 -7.496 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.132 -5.790 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.469 -9.002 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.380 -5.248 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.881 -9.567 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.790 -5.819 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.543 -7.968 3.660 1.00 0.00 H new ATOM 260 N LYS A 19 2.124 -4.722 6.431 1.00 0.00 N ATOM 261 CA LYS A 19 1.920 -3.353 6.888 1.00 0.00 C ATOM 262 C LYS A 19 2.756 -2.399 6.047 1.00 0.00 C ATOM 263 O LYS A 19 3.981 -2.360 6.171 1.00 0.00 O ATOM 264 CB LYS A 19 2.338 -3.223 8.362 1.00 0.00 C ATOM 265 CG LYS A 19 2.131 -1.760 8.869 1.00 0.00 C ATOM 266 CD LYS A 19 3.433 -1.219 9.477 1.00 0.00 C ATOM 267 CE LYS A 19 3.231 0.235 9.907 1.00 0.00 C ATOM 268 NZ LYS A 19 4.496 0.759 10.497 1.00 0.00 N ATOM 0 H LYS A 19 2.847 -5.234 6.937 1.00 0.00 H new ATOM 0 HA LYS A 19 0.864 -3.103 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.753 -3.911 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.384 -3.507 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.815 -1.123 8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.336 -1.735 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.726 -1.825 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.241 -1.285 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.938 0.842 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.423 0.301 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.359 1.748 10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.756 0.186 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.256 0.710 9.789 1.00 0.00 H new ATOM 282 N LEU A 20 2.091 -1.615 5.204 1.00 0.00 N ATOM 283 CA LEU A 20 2.791 -0.648 4.361 1.00 0.00 C ATOM 284 C LEU A 20 2.624 0.740 4.973 1.00 0.00 C ATOM 285 O LEU A 20 1.544 1.330 4.907 1.00 0.00 O ATOM 286 CB LEU A 20 2.229 -0.663 2.926 1.00 0.00 C ATOM 287 CG LEU A 20 1.823 -2.086 2.519 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.085 -2.035 1.177 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.063 -2.975 2.385 1.00 0.00 C ATOM 0 H LEU A 20 1.078 -1.628 5.086 1.00 0.00 H new ATOM 0 HA LEU A 20 3.847 -0.912 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.366 -0.000 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.978 -0.280 2.232 1.00 0.00 H new ATOM 0 HG LEU A 20 1.172 -2.504 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.794 -3.044 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.194 -1.415 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.741 -1.611 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.760 -3.981 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.726 -2.563 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.587 -3.014 3.340 1.00 0.00 H new ATOM 301 N SER A 21 3.687 1.249 5.584 1.00 0.00 N ATOM 302 CA SER A 21 3.628 2.555 6.220 1.00 0.00 C ATOM 303 C SER A 21 3.723 3.672 5.192 1.00 0.00 C ATOM 304 O SER A 21 4.731 3.801 4.498 1.00 0.00 O ATOM 305 CB SER A 21 4.777 2.694 7.221 1.00 0.00 C ATOM 306 OG SER A 21 4.653 3.936 7.901 1.00 0.00 O ATOM 0 H SER A 21 4.591 0.781 5.651 1.00 0.00 H new ATOM 0 HA SER A 21 2.671 2.637 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.756 1.871 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.735 2.642 6.704 1.00 0.00 H new ATOM 0 HG SER A 21 5.385 4.031 8.545 1.00 0.00 H new ATOM 312 N ILE A 22 2.682 4.502 5.119 1.00 0.00 N ATOM 313 CA ILE A 22 2.693 5.621 4.190 1.00 0.00 C ATOM 314 C ILE A 22 3.430 6.770 4.868 1.00 0.00 C ATOM 315 O ILE A 22 2.950 7.317 5.853 1.00 0.00 O ATOM 316 CB ILE A 22 1.247 6.070 3.843 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.246 4.913 3.969 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.208 6.594 2.411 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.540 3.803 2.952 1.00 0.00 C ATOM 0 H ILE A 22 1.836 4.420 5.683 1.00 0.00 H new ATOM 0 HA ILE A 22 3.184 5.326 3.262 1.00 0.00 H new ATOM 0 HB ILE A 22 0.964 6.850 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.287 4.503 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.766 5.288 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.194 6.909 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.885 7.443 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.518 5.805 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.188 3.000 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.474 4.208 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.543 3.411 3.121 1.00 0.00 H new ATOM 331 N THR A 23 4.601 7.129 4.355 1.00 0.00 N ATOM 332 CA THR A 23 5.363 8.211 4.970 1.00 0.00 C ATOM 333 C THR A 23 4.796 9.559 4.540 1.00 0.00 C ATOM 334 O THR A 23 4.423 9.747 3.387 1.00 0.00 O ATOM 335 CB THR A 23 6.854 8.088 4.609 1.00 0.00 C ATOM 336 OG1 THR A 23 7.423 7.027 5.363 1.00 0.00 O ATOM 337 CG2 THR A 23 7.593 9.390 4.935 1.00 0.00 C ATOM 0 H THR A 23 5.035 6.701 3.537 1.00 0.00 H new ATOM 0 HA THR A 23 5.277 8.138 6.054 1.00 0.00 H new ATOM 0 HB THR A 23 6.948 7.888 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.373 6.939 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.646 9.286 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.157 10.209 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.503 9.603 6.000 1.00 0.00 H new ATOM 345 N LYS A 24 4.720 10.482 5.490 1.00 0.00 N ATOM 346 CA LYS A 24 4.187 11.808 5.213 1.00 0.00 C ATOM 347 C LYS A 24 5.160 12.572 4.326 1.00 0.00 C ATOM 348 O LYS A 24 6.204 13.036 4.785 1.00 0.00 O ATOM 349 CB LYS A 24 3.967 12.574 6.529 1.00 0.00 C ATOM 350 CG LYS A 24 3.400 11.618 7.608 1.00 0.00 C ATOM 351 CD LYS A 24 4.539 11.075 8.496 1.00 0.00 C ATOM 352 CE LYS A 24 4.144 9.715 9.068 1.00 0.00 C ATOM 353 NZ LYS A 24 2.933 9.867 9.923 1.00 0.00 N ATOM 0 H LYS A 24 5.019 10.337 6.454 1.00 0.00 H new ATOM 0 HA LYS A 24 3.231 11.709 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.908 13.005 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.278 13.403 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.670 12.145 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.876 10.790 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.455 10.982 7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.746 11.774 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.945 9.012 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.966 9.302 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.840 9.038 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.023 10.726 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.089 9.944 9.320 1.00 0.00 H new ATOM 367 N GLN A 25 4.815 12.698 3.052 1.00 0.00 N ATOM 368 CA GLN A 25 5.663 13.415 2.098 1.00 0.00 C ATOM 369 C GLN A 25 5.105 14.819 1.877 1.00 0.00 C ATOM 370 O GLN A 25 3.925 15.072 2.116 1.00 0.00 O ATOM 371 CB GLN A 25 5.730 12.653 0.750 1.00 0.00 C ATOM 372 CG GLN A 25 5.364 11.171 0.952 1.00 0.00 C ATOM 373 CD GLN A 25 3.846 11.001 0.970 1.00 0.00 C ATOM 374 OE1 GLN A 25 3.111 11.969 0.775 1.00 0.00 O ATOM 375 NE2 GLN A 25 3.331 9.823 1.187 1.00 0.00 N ATOM 0 H GLN A 25 3.958 12.316 2.652 1.00 0.00 H new ATOM 0 HA GLN A 25 6.672 13.484 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.047 13.108 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.732 12.733 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.795 10.570 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.789 10.808 1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.941 9.022 1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.318 9.703 1.195 1.00 0.00 H new ATOM 384 N ASP A 26 5.950 15.727 1.406 1.00 0.00 N ATOM 385 CA ASP A 26 5.499 17.086 1.148 1.00 0.00 C ATOM 386 C ASP A 26 4.412 17.051 0.081 1.00 0.00 C ATOM 387 O ASP A 26 4.706 17.017 -1.113 1.00 0.00 O ATOM 388 CB ASP A 26 6.670 17.946 0.667 1.00 0.00 C ATOM 389 CG ASP A 26 7.775 17.956 1.718 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.533 18.466 2.800 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.850 17.460 1.424 1.00 0.00 O ATOM 0 H ASP A 26 6.933 15.552 1.198 1.00 0.00 H new ATOM 0 HA ASP A 26 5.102 17.519 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.056 17.556 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.330 18.964 0.475 1.00 0.00 H new ATOM 396 N ASP A 27 3.156 17.035 0.520 1.00 0.00 N ATOM 397 CA ASP A 27 2.036 16.973 -0.412 1.00 0.00 C ATOM 398 C ASP A 27 2.249 17.913 -1.592 1.00 0.00 C ATOM 399 O ASP A 27 3.149 18.751 -1.583 1.00 0.00 O ATOM 400 CB ASP A 27 0.729 17.333 0.297 1.00 0.00 C ATOM 401 CG ASP A 27 -0.444 17.077 -0.643 1.00 0.00 C ATOM 402 OD1 ASP A 27 -0.714 15.921 -0.918 1.00 0.00 O ATOM 403 OD2 ASP A 27 -1.049 18.042 -1.074 1.00 0.00 O ATOM 0 H ASP A 27 2.891 17.064 1.505 1.00 0.00 H new ATOM 0 HA ASP A 27 1.975 15.951 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.619 16.739 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.744 18.380 0.601 1.00 0.00 H new ATOM 408 N GLY A 28 1.406 17.762 -2.608 1.00 0.00 N ATOM 409 CA GLY A 28 1.506 18.595 -3.797 1.00 0.00 C ATOM 410 C GLY A 28 1.442 20.072 -3.431 1.00 0.00 C ATOM 411 O GLY A 28 2.203 20.883 -3.960 1.00 0.00 O ATOM 0 H GLY A 28 0.652 17.076 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.441 18.385 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.697 18.351 -4.486 1.00 0.00 H new ATOM 415 N GLY A 29 0.540 20.422 -2.518 1.00 0.00 N ATOM 416 CA GLY A 29 0.414 21.815 -2.099 1.00 0.00 C ATOM 417 C GLY A 29 -0.763 22.047 -1.148 1.00 0.00 C ATOM 418 O GLY A 29 -1.158 23.192 -0.923 1.00 0.00 O ATOM 0 H GLY A 29 -0.103 19.775 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.337 22.127 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.292 22.445 -2.980 1.00 0.00 H new ATOM 422 N ALA A 30 -1.319 20.979 -0.570 1.00 0.00 N ATOM 423 CA ALA A 30 -2.435 21.137 0.363 1.00 0.00 C ATOM 424 C ALA A 30 -2.565 19.895 1.255 1.00 0.00 C ATOM 425 O ALA A 30 -2.219 18.796 0.827 1.00 0.00 O ATOM 426 CB ALA A 30 -3.739 21.368 -0.415 1.00 0.00 C ATOM 0 H ALA A 30 -1.022 20.016 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.242 22.002 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.565 21.485 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.647 22.270 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.932 20.514 -1.064 1.00 0.00 H new ATOM 432 N PRO A 31 -3.070 20.022 2.470 1.00 0.00 N ATOM 433 CA PRO A 31 -3.235 18.838 3.360 1.00 0.00 C ATOM 434 C PRO A 31 -4.067 17.744 2.692 1.00 0.00 C ATOM 435 O PRO A 31 -5.025 18.027 1.973 1.00 0.00 O ATOM 436 CB PRO A 31 -3.950 19.387 4.611 1.00 0.00 C ATOM 437 CG PRO A 31 -3.711 20.866 4.595 1.00 0.00 C ATOM 438 CD PRO A 31 -3.519 21.269 3.128 1.00 0.00 C ATOM 0 HA PRO A 31 -2.278 18.374 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.016 19.162 4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.552 18.935 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.554 21.398 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.830 21.122 5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.446 21.639 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.779 22.063 3.026 1.00 0.00 H new ATOM 446 N ILE A 32 -3.686 16.496 2.935 1.00 0.00 N ATOM 447 CA ILE A 32 -4.384 15.355 2.351 1.00 0.00 C ATOM 448 C ILE A 32 -5.567 14.929 3.211 1.00 0.00 C ATOM 449 O ILE A 32 -5.417 14.640 4.398 1.00 0.00 O ATOM 450 CB ILE A 32 -3.392 14.194 2.198 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.335 14.554 1.112 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.144 12.906 1.810 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.927 14.259 1.624 1.00 0.00 C ATOM 0 H ILE A 32 -2.898 16.247 3.532 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.777 15.642 1.375 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.883 14.024 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.527 13.981 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.420 15.608 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.432 12.087 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.868 12.659 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.665 13.059 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.199 14.515 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.734 14.851 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.842 13.199 1.865 1.00 0.00 H new ATOM 465 N LEU A 33 -6.740 14.875 2.589 1.00 0.00 N ATOM 466 CA LEU A 33 -7.945 14.454 3.288 1.00 0.00 C ATOM 467 C LEU A 33 -7.891 12.952 3.553 1.00 0.00 C ATOM 468 O LEU A 33 -8.278 12.481 4.622 1.00 0.00 O ATOM 469 CB LEU A 33 -9.185 14.786 2.444 1.00 0.00 C ATOM 470 CG LEU A 33 -9.545 16.276 2.573 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.028 16.607 4.000 1.00 0.00 C ATOM 472 CD2 LEU A 33 -8.321 17.133 2.220 1.00 0.00 C ATOM 0 H LEU A 33 -6.880 15.116 1.608 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.007 14.985 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.996 14.541 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.027 14.174 2.768 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.358 16.498 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.276 17.667 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.912 16.013 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.238 16.376 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.577 18.188 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.503 16.898 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.012 16.922 1.196 1.00 0.00 H new ATOM 484 N GLU A 34 -7.411 12.211 2.558 1.00 0.00 N ATOM 485 CA GLU A 34 -7.310 10.761 2.669 1.00 0.00 C ATOM 486 C GLU A 34 -6.341 10.199 1.637 1.00 0.00 C ATOM 487 O GLU A 34 -5.949 10.881 0.688 1.00 0.00 O ATOM 488 CB GLU A 34 -8.684 10.120 2.454 1.00 0.00 C ATOM 489 CG GLU A 34 -9.413 10.841 1.319 1.00 0.00 C ATOM 490 CD GLU A 34 -10.707 10.106 0.987 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.573 10.057 1.846 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.814 9.597 -0.117 1.00 0.00 O ATOM 0 H GLU A 34 -7.087 12.591 1.668 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.941 10.530 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.570 9.063 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.271 10.177 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.632 11.868 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.775 10.889 0.437 1.00 0.00 H new ATOM 499 N TYR A 35 -5.983 8.934 1.829 1.00 0.00 N ATOM 500 CA TYR A 35 -5.083 8.230 0.927 1.00 0.00 C ATOM 501 C TYR A 35 -5.842 7.134 0.189 1.00 0.00 C ATOM 502 O TYR A 35 -6.361 6.203 0.801 1.00 0.00 O ATOM 503 CB TYR A 35 -3.955 7.592 1.747 1.00 0.00 C ATOM 504 CG TYR A 35 -2.857 8.592 2.023 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.101 9.681 2.862 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.598 8.427 1.443 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.080 10.608 3.123 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.578 9.346 1.702 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.817 10.438 2.542 1.00 0.00 C ATOM 510 OH TYR A 35 0.191 11.343 2.798 1.00 0.00 O ATOM 0 H TYR A 35 -6.309 8.370 2.614 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.672 8.934 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.353 7.214 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.547 6.737 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.075 9.810 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.412 7.586 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.268 11.451 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.395 9.213 1.253 1.00 0.00 H new ATOM 0 HH TYR A 35 1.001 11.075 2.317 1.00 0.00 H new ATOM 520 N ILE A 36 -5.868 7.229 -1.131 1.00 0.00 N ATOM 521 CA ILE A 36 -6.530 6.219 -1.945 1.00 0.00 C ATOM 522 C ILE A 36 -5.501 5.174 -2.333 1.00 0.00 C ATOM 523 O ILE A 36 -4.556 5.457 -3.070 1.00 0.00 O ATOM 524 CB ILE A 36 -7.112 6.855 -3.205 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.100 7.956 -2.813 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.838 5.781 -4.022 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.503 8.748 -4.058 1.00 0.00 C ATOM 0 H ILE A 36 -5.442 7.990 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.343 5.763 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.309 7.288 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.982 7.518 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.647 8.621 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.256 6.230 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.133 4.997 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.642 5.351 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.207 9.532 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.617 9.198 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.973 8.079 -4.779 1.00 0.00 H new ATOM 539 N VAL A 37 -5.674 3.967 -1.813 1.00 0.00 N ATOM 540 CA VAL A 37 -4.747 2.876 -2.080 1.00 0.00 C ATOM 541 C VAL A 37 -5.431 1.791 -2.888 1.00 0.00 C ATOM 542 O VAL A 37 -6.516 1.330 -2.533 1.00 0.00 O ATOM 543 CB VAL A 37 -4.272 2.291 -0.748 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.265 1.167 -1.020 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.626 3.407 0.115 1.00 0.00 C ATOM 0 H VAL A 37 -6.451 3.718 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.898 3.257 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.121 1.881 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.924 0.747 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.742 0.386 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.412 1.567 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.289 2.986 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.774 3.831 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.360 4.190 0.307 1.00 0.00 H new ATOM 555 N LYS A 38 -4.790 1.385 -3.979 1.00 0.00 N ATOM 556 CA LYS A 38 -5.340 0.344 -4.836 1.00 0.00 C ATOM 557 C LYS A 38 -4.285 -0.730 -5.045 1.00 0.00 C ATOM 558 O LYS A 38 -3.132 -0.415 -5.318 1.00 0.00 O ATOM 559 CB LYS A 38 -5.744 0.938 -6.187 1.00 0.00 C ATOM 560 CG LYS A 38 -6.762 2.061 -5.972 1.00 0.00 C ATOM 561 CD LYS A 38 -7.171 2.659 -7.325 1.00 0.00 C ATOM 562 CE LYS A 38 -8.217 1.771 -8.010 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.823 2.515 -9.149 1.00 0.00 N ATOM 0 H LYS A 38 -3.893 1.760 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.222 -0.089 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.865 1.324 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.172 0.163 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.640 1.674 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.333 2.836 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.575 3.661 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.294 2.759 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.753 0.852 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.989 1.482 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.533 1.916 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.279 3.380 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.081 2.769 -9.832 1.00 0.00 H new ATOM 577 N TYR A 39 -4.667 -1.998 -4.912 1.00 0.00 N ATOM 578 CA TYR A 39 -3.708 -3.090 -5.088 1.00 0.00 C ATOM 579 C TYR A 39 -4.333 -4.249 -5.857 1.00 0.00 C ATOM 580 O TYR A 39 -5.550 -4.436 -5.838 1.00 0.00 O ATOM 581 CB TYR A 39 -3.211 -3.576 -3.721 1.00 0.00 C ATOM 582 CG TYR A 39 -4.364 -4.135 -2.916 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.268 -3.270 -2.285 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.516 -5.522 -2.789 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.327 -3.795 -1.531 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.573 -6.044 -2.036 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.479 -5.181 -1.408 1.00 0.00 C ATOM 588 OH TYR A 39 -7.522 -5.698 -0.666 1.00 0.00 O ATOM 0 H TYR A 39 -5.617 -2.294 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.864 -2.713 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.446 -4.341 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.746 -2.752 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.149 -2.201 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.817 -6.188 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.026 -3.130 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.690 -7.113 -1.939 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.483 -6.677 -0.684 1.00 0.00 H new ATOM 598 N ARG A 40 -3.489 -5.028 -6.534 1.00 0.00 N ATOM 599 CA ARG A 40 -3.958 -6.175 -7.315 1.00 0.00 C ATOM 600 C ARG A 40 -2.940 -7.307 -7.281 1.00 0.00 C ATOM 601 O ARG A 40 -1.836 -7.140 -6.776 1.00 0.00 O ATOM 602 CB ARG A 40 -4.202 -5.781 -8.772 1.00 0.00 C ATOM 603 CG ARG A 40 -2.920 -5.212 -9.408 1.00 0.00 C ATOM 604 CD ARG A 40 -3.020 -5.327 -10.928 1.00 0.00 C ATOM 605 NE ARG A 40 -1.802 -4.833 -11.560 1.00 0.00 N ATOM 606 CZ ARG A 40 -1.795 -4.469 -12.836 1.00 0.00 C ATOM 607 NH1 ARG A 40 -2.905 -4.469 -13.519 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.680 -4.087 -13.398 1.00 0.00 N ATOM 0 H ARG A 40 -2.479 -4.887 -6.558 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.893 -6.510 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.538 -6.650 -9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.999 -5.039 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.788 -4.170 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.048 -5.757 -9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.187 -6.367 -11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.878 -4.758 -11.286 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.943 -4.766 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.778 -4.749 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.900 -4.189 -14.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.184 -4.069 -12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.673 -3.807 -14.379 1.00 0.00 H new ATOM 622 N SER A 41 -3.314 -8.446 -7.854 1.00 0.00 N ATOM 623 CA SER A 41 -2.417 -9.596 -7.915 1.00 0.00 C ATOM 624 C SER A 41 -1.485 -9.469 -9.120 1.00 0.00 C ATOM 625 O SER A 41 -1.924 -9.117 -10.215 1.00 0.00 O ATOM 626 CB SER A 41 -3.231 -10.893 -8.025 1.00 0.00 C ATOM 627 OG SER A 41 -3.670 -11.279 -6.731 1.00 0.00 O ATOM 0 H SER A 41 -4.228 -8.598 -8.281 1.00 0.00 H new ATOM 0 HA SER A 41 -1.821 -9.625 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.087 -10.745 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.622 -11.682 -8.466 1.00 0.00 H new ATOM 0 HG SER A 41 -3.007 -11.002 -6.064 1.00 0.00 H new ATOM 633 N LYS A 42 -0.205 -9.773 -8.924 1.00 0.00 N ATOM 634 CA LYS A 42 0.751 -9.695 -10.022 1.00 0.00 C ATOM 635 C LYS A 42 0.376 -10.665 -11.140 1.00 0.00 C ATOM 636 O LYS A 42 0.575 -10.370 -12.318 1.00 0.00 O ATOM 637 CB LYS A 42 2.175 -9.993 -9.520 1.00 0.00 C ATOM 638 CG LYS A 42 2.766 -8.744 -8.855 1.00 0.00 C ATOM 639 CD LYS A 42 4.239 -8.982 -8.532 1.00 0.00 C ATOM 640 CE LYS A 42 4.818 -7.738 -7.859 1.00 0.00 C ATOM 641 NZ LYS A 42 6.257 -7.968 -7.546 1.00 0.00 N ATOM 0 H LYS A 42 0.188 -10.071 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 42 0.723 -8.681 -10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.154 -10.819 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.806 -10.305 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.663 -7.884 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.217 -8.511 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.344 -9.846 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.791 -9.206 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.711 -6.874 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.267 -7.516 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.635 -7.149 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.353 -8.823 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.789 -8.093 -8.431 1.00 0.00 H new ATOM 655 N ASP A 43 -0.158 -11.818 -10.767 1.00 0.00 N ATOM 656 CA ASP A 43 -0.544 -12.818 -11.753 1.00 0.00 C ATOM 657 C ASP A 43 -1.650 -12.272 -12.657 1.00 0.00 C ATOM 658 O ASP A 43 -1.699 -12.587 -13.845 1.00 0.00 O ATOM 659 CB ASP A 43 -1.031 -14.092 -11.042 1.00 0.00 C ATOM 660 CG ASP A 43 0.151 -14.984 -10.649 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.270 -14.662 -11.017 1.00 0.00 O ATOM 662 OD2 ASP A 43 -0.084 -15.978 -9.982 1.00 0.00 O ATOM 0 H ASP A 43 -0.333 -12.084 -9.798 1.00 0.00 H new ATOM 0 HA ASP A 43 0.324 -13.059 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.600 -13.822 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.706 -14.643 -11.697 1.00 0.00 H new ATOM 667 N LYS A 44 -2.546 -11.465 -12.085 1.00 0.00 N ATOM 668 CA LYS A 44 -3.653 -10.895 -12.842 1.00 0.00 C ATOM 669 C LYS A 44 -3.353 -9.473 -13.277 1.00 0.00 C ATOM 670 O LYS A 44 -2.294 -8.916 -12.988 1.00 0.00 O ATOM 671 CB LYS A 44 -4.930 -10.908 -11.990 1.00 0.00 C ATOM 672 CG LYS A 44 -5.258 -12.346 -11.566 1.00 0.00 C ATOM 673 CD LYS A 44 -6.000 -13.087 -12.695 1.00 0.00 C ATOM 674 CE LYS A 44 -5.812 -14.589 -12.520 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.730 -15.319 -13.441 1.00 0.00 N ATOM 0 H LYS A 44 -2.524 -11.194 -11.102 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.795 -11.504 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.796 -10.281 -11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.761 -10.488 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.339 -12.877 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.872 -12.335 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.061 -12.837 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.617 -12.772 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.778 -14.863 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.015 -14.873 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.600 -16.344 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.715 -15.066 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.516 -15.057 -14.424 1.00 0.00 H new ATOM 689 N GLU A 45 -4.304 -8.918 -14.002 1.00 0.00 N ATOM 690 CA GLU A 45 -4.177 -7.562 -14.536 1.00 0.00 C ATOM 691 C GLU A 45 -5.548 -6.962 -14.905 1.00 0.00 C ATOM 692 O GLU A 45 -5.644 -5.796 -15.284 1.00 0.00 O ATOM 693 CB GLU A 45 -3.266 -7.629 -15.778 1.00 0.00 C ATOM 694 CG GLU A 45 -3.011 -6.235 -16.358 1.00 0.00 C ATOM 695 CD GLU A 45 -2.005 -6.327 -17.499 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.692 -7.436 -17.898 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.558 -5.287 -17.956 1.00 0.00 O ATOM 0 H GLU A 45 -5.181 -9.382 -14.240 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.746 -6.912 -13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.317 -8.093 -15.510 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.727 -8.262 -16.536 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.945 -5.805 -16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.633 -5.571 -15.580 1.00 0.00 H new ATOM 704 N ASP A 46 -6.610 -7.761 -14.806 1.00 0.00 N ATOM 705 CA ASP A 46 -7.952 -7.292 -15.160 1.00 0.00 C ATOM 706 C ASP A 46 -8.714 -6.706 -13.968 1.00 0.00 C ATOM 707 O ASP A 46 -9.911 -6.443 -14.082 1.00 0.00 O ATOM 708 CB ASP A 46 -8.760 -8.459 -15.729 1.00 0.00 C ATOM 709 CG ASP A 46 -8.165 -8.916 -17.056 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.318 -8.211 -17.578 1.00 0.00 O ATOM 711 OD2 ASP A 46 -8.568 -9.965 -17.532 1.00 0.00 O ATOM 0 H ASP A 46 -6.570 -8.729 -14.486 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.827 -6.497 -15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.765 -9.287 -15.020 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.797 -8.156 -15.873 1.00 0.00 H new ATOM 716 N GLN A 47 -8.052 -6.512 -12.826 1.00 0.00 N ATOM 717 CA GLN A 47 -8.755 -5.968 -11.656 1.00 0.00 C ATOM 718 C GLN A 47 -7.843 -5.144 -10.747 1.00 0.00 C ATOM 719 O GLN A 47 -6.646 -5.403 -10.634 1.00 0.00 O ATOM 720 CB GLN A 47 -9.360 -7.119 -10.849 1.00 0.00 C ATOM 721 CG GLN A 47 -8.238 -8.010 -10.313 1.00 0.00 C ATOM 722 CD GLN A 47 -8.824 -9.271 -9.688 1.00 0.00 C ATOM 723 OE1 GLN A 47 -9.797 -9.824 -10.199 1.00 0.00 O ATOM 724 NE2 GLN A 47 -8.285 -9.766 -8.607 1.00 0.00 N ATOM 0 H GLN A 47 -7.062 -6.715 -12.684 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.532 -5.301 -12.028 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.953 -6.726 -10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.034 -7.702 -11.476 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.558 -8.278 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.653 -7.465 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.478 -9.307 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.671 -10.611 -8.186 1.00 0.00 H new ATOM 733 N TRP A 48 -8.453 -4.162 -10.074 1.00 0.00 N ATOM 734 CA TRP A 48 -7.742 -3.293 -9.135 1.00 0.00 C ATOM 735 C TRP A 48 -8.631 -3.004 -7.925 1.00 0.00 C ATOM 736 O TRP A 48 -9.618 -2.274 -8.022 1.00 0.00 O ATOM 737 CB TRP A 48 -7.329 -1.971 -9.817 1.00 0.00 C ATOM 738 CG TRP A 48 -6.008 -2.123 -10.512 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.833 -2.440 -11.815 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.675 -1.948 -9.952 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.475 -2.479 -12.085 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.722 -2.180 -10.968 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.210 -1.613 -8.669 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.351 -2.080 -10.718 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.836 -1.517 -8.415 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.907 -1.749 -9.437 1.00 0.00 C ATOM 0 H TRP A 48 -9.446 -3.950 -10.165 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.838 -3.804 -8.805 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.092 -1.673 -10.536 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.265 -1.177 -9.073 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.622 -2.631 -12.527 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.080 -2.702 -12.999 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.917 -1.428 -7.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.640 -2.258 -11.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.490 -1.262 -7.424 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.849 -1.672 -9.234 1.00 0.00 H new ATOM 757 N LEU A 49 -8.263 -3.587 -6.785 1.00 0.00 N ATOM 758 CA LEU A 49 -9.011 -3.402 -5.546 1.00 0.00 C ATOM 759 C LEU A 49 -8.773 -1.993 -5.013 1.00 0.00 C ATOM 760 O LEU A 49 -7.801 -1.353 -5.397 1.00 0.00 O ATOM 761 CB LEU A 49 -8.553 -4.431 -4.507 1.00 0.00 C ATOM 762 CG LEU A 49 -8.625 -5.839 -5.107 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.153 -6.866 -4.072 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.066 -6.158 -5.537 1.00 0.00 C ATOM 0 H LEU A 49 -7.448 -4.193 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.074 -3.540 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.533 -4.212 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.183 -4.371 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.977 -5.885 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.205 -7.866 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.124 -6.648 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.793 -6.816 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.105 -7.161 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.725 -6.105 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.391 -5.434 -6.284 1.00 0.00 H new ATOM 776 N GLU A 50 -9.667 -1.505 -4.144 1.00 0.00 N ATOM 777 CA GLU A 50 -9.529 -0.151 -3.579 1.00 0.00 C ATOM 778 C GLU A 50 -9.457 -0.184 -2.054 1.00 0.00 C ATOM 779 O GLU A 50 -9.987 -1.091 -1.412 1.00 0.00 O ATOM 780 CB GLU A 50 -10.696 0.730 -4.027 1.00 0.00 C ATOM 781 CG GLU A 50 -12.019 0.093 -3.610 1.00 0.00 C ATOM 782 CD GLU A 50 -13.176 1.007 -4.000 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.075 1.649 -5.033 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.150 1.044 -3.266 1.00 0.00 O ATOM 0 H GLU A 50 -10.486 -2.018 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.595 0.269 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.605 1.722 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.670 0.860 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.133 -0.879 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.027 -0.080 -2.534 1.00 0.00 H new ATOM 791 N LYS A 51 -8.775 0.814 -1.489 1.00 0.00 N ATOM 792 CA LYS A 51 -8.601 0.914 -0.044 1.00 0.00 C ATOM 793 C LYS A 51 -8.376 2.384 0.329 1.00 0.00 C ATOM 794 O LYS A 51 -7.376 2.980 -0.050 1.00 0.00 O ATOM 795 CB LYS A 51 -7.412 0.011 0.359 1.00 0.00 C ATOM 796 CG LYS A 51 -6.834 0.348 1.774 1.00 0.00 C ATOM 797 CD LYS A 51 -7.196 -0.736 2.815 1.00 0.00 C ATOM 798 CE LYS A 51 -8.588 -0.462 3.384 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.564 0.810 4.160 1.00 0.00 N ATOM 0 H LYS A 51 -8.333 1.567 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.485 0.574 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.733 -1.030 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.620 0.111 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.750 0.443 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.220 1.312 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.170 -1.722 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.459 -0.742 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.316 -0.394 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.899 -1.286 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.266 0.763 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.617 0.951 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.792 1.605 3.530 1.00 0.00 H new ATOM 813 N LYS A 52 -9.318 2.964 1.073 1.00 0.00 N ATOM 814 CA LYS A 52 -9.212 4.368 1.486 1.00 0.00 C ATOM 815 C LYS A 52 -8.622 4.453 2.889 1.00 0.00 C ATOM 816 O LYS A 52 -8.911 3.610 3.738 1.00 0.00 O ATOM 817 CB LYS A 52 -10.599 5.019 1.479 1.00 0.00 C ATOM 818 CG LYS A 52 -11.343 4.681 0.178 1.00 0.00 C ATOM 819 CD LYS A 52 -10.583 5.211 -1.043 1.00 0.00 C ATOM 820 CE LYS A 52 -11.434 4.994 -2.297 1.00 0.00 C ATOM 821 NZ LYS A 52 -12.600 5.921 -2.272 1.00 0.00 N ATOM 0 H LYS A 52 -10.159 2.489 1.401 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.561 4.893 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.175 4.671 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.501 6.100 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.465 3.601 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.343 5.113 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.362 6.271 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.627 4.696 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.835 5.170 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.778 3.961 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.959 6.054 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.351 5.518 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.305 6.839 -1.883 1.00 0.00 H new ATOM 835 N VAL A 53 -7.776 5.461 3.131 1.00 0.00 N ATOM 836 CA VAL A 53 -7.140 5.617 4.444 1.00 0.00 C ATOM 837 C VAL A 53 -7.142 7.080 4.884 1.00 0.00 C ATOM 838 O VAL A 53 -6.886 7.979 4.097 1.00 0.00 O ATOM 839 CB VAL A 53 -5.696 5.082 4.406 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.266 4.620 5.803 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.586 3.919 3.421 1.00 0.00 C ATOM 0 H VAL A 53 -7.519 6.171 2.446 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.716 5.040 5.167 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.038 5.887 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.244 4.244 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.317 5.460 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.931 3.827 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.560 3.552 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.254 3.116 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.865 4.259 2.424 1.00 0.00 H new ATOM 851 N GLN A 54 -7.431 7.302 6.154 1.00 0.00 N ATOM 852 CA GLN A 54 -7.464 8.650 6.707 1.00 0.00 C ATOM 853 C GLN A 54 -6.101 9.334 6.555 1.00 0.00 C ATOM 854 O GLN A 54 -5.058 8.691 6.675 1.00 0.00 O ATOM 855 CB GLN A 54 -7.872 8.578 8.183 1.00 0.00 C ATOM 856 CG GLN A 54 -7.831 9.972 8.798 1.00 0.00 C ATOM 857 CD GLN A 54 -8.522 9.971 10.156 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.288 9.058 10.467 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.295 10.949 10.991 1.00 0.00 N ATOM 0 H GLN A 54 -7.647 6.566 6.826 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.195 9.245 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.875 8.160 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.200 7.912 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.797 10.298 8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.320 10.685 8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.660 11.704 10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.752 10.958 11.903 1.00 0.00 H new ATOM 868 N GLY A 55 -6.123 10.638 6.269 1.00 0.00 N ATOM 869 CA GLY A 55 -4.888 11.406 6.075 1.00 0.00 C ATOM 870 C GLY A 55 -4.110 11.583 7.377 1.00 0.00 C ATOM 871 O GLY A 55 -3.204 12.411 7.459 1.00 0.00 O ATOM 0 H GLY A 55 -6.979 11.184 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.258 10.900 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.132 12.385 5.663 1.00 0.00 H new ATOM 875 N ASN A 56 -4.465 10.797 8.390 1.00 0.00 N ATOM 876 CA ASN A 56 -3.792 10.859 9.691 1.00 0.00 C ATOM 877 C ASN A 56 -3.436 9.452 10.151 1.00 0.00 C ATOM 878 O ASN A 56 -3.041 9.242 11.297 1.00 0.00 O ATOM 879 CB ASN A 56 -4.709 11.510 10.729 1.00 0.00 C ATOM 880 CG ASN A 56 -5.029 12.944 10.319 1.00 0.00 C ATOM 881 OD1 ASN A 56 -6.144 13.419 10.532 1.00 0.00 O ATOM 882 ND2 ASN A 56 -4.110 13.670 9.743 1.00 0.00 N ATOM 0 H ASN A 56 -5.215 10.108 8.338 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.885 11.454 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.631 10.936 10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.228 11.502 11.707 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.316 14.631 9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.186 13.277 9.566 1.00 0.00 H new ATOM 889 N LYS A 57 -3.596 8.490 9.245 1.00 0.00 N ATOM 890 CA LYS A 57 -3.306 7.088 9.549 1.00 0.00 C ATOM 891 C LYS A 57 -1.861 6.745 9.186 1.00 0.00 C ATOM 892 O LYS A 57 -1.156 6.114 9.972 1.00 0.00 O ATOM 893 CB LYS A 57 -4.307 6.187 8.789 1.00 0.00 C ATOM 894 CG LYS A 57 -5.271 5.519 9.786 1.00 0.00 C ATOM 895 CD LYS A 57 -6.385 4.779 9.045 1.00 0.00 C ATOM 896 CE LYS A 57 -7.314 4.118 10.065 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.435 3.438 9.355 1.00 0.00 N ATOM 0 H LYS A 57 -3.925 8.654 8.294 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.420 6.916 10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.869 6.780 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.769 5.426 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.722 4.821 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.703 6.274 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.947 5.474 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.959 4.026 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.758 3.396 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.707 4.867 10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.065 2.989 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.971 4.137 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.052 2.712 8.716 1.00 0.00 H new ATOM 911 N ASP A 58 -1.443 7.165 7.995 1.00 0.00 N ATOM 912 CA ASP A 58 -0.086 6.924 7.517 1.00 0.00 C ATOM 913 C ASP A 58 0.320 5.459 7.670 1.00 0.00 C ATOM 914 O ASP A 58 1.467 5.166 8.012 1.00 0.00 O ATOM 915 CB ASP A 58 0.914 7.835 8.249 1.00 0.00 C ATOM 916 CG ASP A 58 0.884 7.590 9.752 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.258 6.503 10.161 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.481 8.488 10.472 1.00 0.00 O ATOM 0 H ASP A 58 -2.031 7.678 7.339 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.069 7.161 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.920 7.655 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.677 8.879 8.043 1.00 0.00 H new ATOM 923 N HIS A 59 -0.618 4.542 7.406 1.00 0.00 N ATOM 924 CA HIS A 59 -0.334 3.103 7.512 1.00 0.00 C ATOM 925 C HIS A 59 -1.574 2.274 7.146 1.00 0.00 C ATOM 926 O HIS A 59 -2.706 2.713 7.349 1.00 0.00 O ATOM 927 CB HIS A 59 0.157 2.746 8.948 1.00 0.00 C ATOM 928 CG HIS A 59 -0.950 2.127 9.766 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.924 2.885 10.393 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.257 0.820 10.039 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.766 2.034 11.009 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.404 0.762 10.825 1.00 0.00 N ATOM 0 H HIS A 59 -1.571 4.766 7.120 1.00 0.00 H new ATOM 0 HA HIS A 59 0.459 2.860 6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.997 2.054 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.520 3.646 9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.694 -0.036 9.696 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.628 2.342 11.582 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.868 -0.073 11.183 1.00 0.00 H new ATOM 940 N ILE A 60 -1.348 1.057 6.642 1.00 0.00 N ATOM 941 CA ILE A 60 -2.454 0.160 6.293 1.00 0.00 C ATOM 942 C ILE A 60 -2.035 -1.303 6.417 1.00 0.00 C ATOM 943 O ILE A 60 -0.891 -1.667 6.147 1.00 0.00 O ATOM 944 CB ILE A 60 -2.960 0.431 4.854 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.835 1.049 4.023 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.163 1.377 4.863 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.318 1.246 2.585 1.00 0.00 C ATOM 0 H ILE A 60 -0.419 0.673 6.468 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.263 0.358 6.996 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.269 -0.518 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.534 2.005 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.958 0.402 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.498 1.550 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.973 0.930 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.876 2.326 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.518 1.687 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.598 0.282 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.182 1.910 2.579 1.00 0.00 H new ATOM 959 N ILE A 61 -2.997 -2.133 6.808 1.00 0.00 N ATOM 960 CA ILE A 61 -2.781 -3.571 6.954 1.00 0.00 C ATOM 961 C ILE A 61 -3.638 -4.304 5.928 1.00 0.00 C ATOM 962 O ILE A 61 -4.866 -4.301 6.021 1.00 0.00 O ATOM 963 CB ILE A 61 -3.189 -4.000 8.365 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.450 -3.140 9.400 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.855 -5.476 8.581 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.926 -3.238 9.217 1.00 0.00 C ATOM 0 H ILE A 61 -3.945 -1.831 7.032 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.730 -3.811 6.793 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.264 -3.861 8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.764 -2.101 9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.720 -3.464 10.405 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.149 -5.772 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.395 -6.081 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.783 -5.628 8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.429 -2.619 9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.611 -4.275 9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.656 -2.890 8.220 1.00 0.00 H new ATOM 978 N LEU A 62 -2.993 -4.925 4.944 1.00 0.00 N ATOM 979 CA LEU A 62 -3.718 -5.652 3.898 1.00 0.00 C ATOM 980 C LEU A 62 -3.704 -7.143 4.195 1.00 0.00 C ATOM 981 O LEU A 62 -2.677 -7.794 4.062 1.00 0.00 O ATOM 982 CB LEU A 62 -3.060 -5.398 2.543 1.00 0.00 C ATOM 983 CG LEU A 62 -2.960 -3.890 2.295 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.256 -3.647 0.958 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.368 -3.265 2.267 1.00 0.00 C ATOM 0 H LEU A 62 -1.978 -4.942 4.846 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.750 -5.301 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.067 -5.847 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.642 -5.869 1.751 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.388 -3.427 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.182 -2.575 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.256 -4.080 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.828 -4.113 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.287 -2.193 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.953 -3.721 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.862 -3.439 3.223 1.00 0.00 H new ATOM 997 N GLU A 63 -4.853 -7.671 4.599 1.00 0.00 N ATOM 998 CA GLU A 63 -4.977 -9.088 4.927 1.00 0.00 C ATOM 999 C GLU A 63 -5.245 -9.929 3.683 1.00 0.00 C ATOM 1000 O GLU A 63 -5.766 -9.432 2.684 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.117 -9.277 5.933 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.704 -8.678 7.281 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.874 -8.712 8.257 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.954 -9.106 7.850 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.668 -8.349 9.405 1.00 0.00 O ATOM 0 H GLU A 63 -5.716 -7.138 4.708 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.034 -9.422 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.023 -8.793 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.345 -10.337 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.863 -9.236 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.368 -7.651 7.142 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.892 -11.211 3.763 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.100 -12.138 2.653 1.00 0.00 C ATOM 1014 C HIS A 64 -4.022 -11.966 1.578 1.00 0.00 C ATOM 1015 O HIS A 64 -4.333 -11.803 0.397 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.499 -11.916 2.041 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.028 -13.204 1.460 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.326 -13.937 0.514 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -8.191 -13.895 1.681 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.069 -15.015 0.206 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -8.216 -15.039 0.889 1.00 0.00 N ATOM 0 H HIS A 64 -4.460 -11.631 4.586 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.031 -13.155 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.183 -11.546 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.446 -11.153 1.264 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.414 -13.701 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.970 -13.597 2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.774 -15.770 -0.508 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.752 -12.015 1.991 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.629 -11.882 1.052 1.00 0.00 C ATOM 1031 C LEU A 65 -0.957 -13.241 0.881 1.00 0.00 C ATOM 1032 O LEU A 65 -0.018 -13.570 1.598 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.595 -10.894 1.601 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.014 -9.431 1.385 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.692 -8.975 -0.040 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.502 -9.230 1.674 1.00 0.00 C ATOM 0 H LEU A 65 -2.474 -12.145 2.964 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.008 -11.519 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.452 -11.075 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.365 -11.070 1.116 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.443 -8.822 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.998 -7.937 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.380 -9.062 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.229 -9.602 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.766 -8.185 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.090 -9.861 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.711 -9.501 2.709 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.440 -14.029 -0.059 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.866 -15.356 -0.277 1.00 0.00 C ATOM 1050 C GLN A 66 0.655 -15.287 -0.425 1.00 0.00 C ATOM 1051 O GLN A 66 1.196 -14.399 -1.080 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.518 -16.032 -1.489 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.903 -16.549 -1.090 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.610 -17.170 -2.290 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.891 -16.485 -3.274 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -3.921 -18.438 -2.262 1.00 0.00 N ATOM 0 H GLN A 66 -2.214 -13.787 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.076 -15.965 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.604 -15.324 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.896 -16.855 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.806 -17.289 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.502 -15.730 -0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.687 -19.003 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.398 -18.864 -3.057 1.00 0.00 H new ATOM 1065 N TRP A 67 1.321 -16.226 0.247 1.00 0.00 N ATOM 1066 CA TRP A 67 2.784 -16.298 0.272 1.00 0.00 C ATOM 1067 C TRP A 67 3.403 -16.584 -1.098 1.00 0.00 C ATOM 1068 O TRP A 67 4.509 -16.126 -1.384 1.00 0.00 O ATOM 1069 CB TRP A 67 3.225 -17.410 1.229 1.00 0.00 C ATOM 1070 CG TRP A 67 2.730 -17.145 2.618 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.654 -17.744 3.175 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.270 -16.249 3.637 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.500 -17.279 4.468 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.471 -16.355 4.801 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.363 -15.363 3.667 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.748 -15.617 5.952 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.643 -14.615 4.823 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.836 -14.742 5.964 1.00 0.00 C ATOM 0 H TRP A 67 0.863 -16.958 0.789 1.00 0.00 H new ATOM 0 HA TRP A 67 3.132 -15.318 0.598 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.844 -18.369 0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.313 -17.482 1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.018 -18.469 2.689 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.759 -17.582 5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.991 -15.257 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.125 -15.722 6.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.485 -13.938 4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.056 -14.164 6.850 1.00 0.00 H new ATOM 1089 N THR A 68 2.721 -17.377 -1.922 1.00 0.00 N ATOM 1090 CA THR A 68 3.266 -17.752 -3.232 1.00 0.00 C ATOM 1091 C THR A 68 2.737 -16.857 -4.339 1.00 0.00 C ATOM 1092 O THR A 68 2.762 -17.226 -5.513 1.00 0.00 O ATOM 1093 CB THR A 68 2.906 -19.205 -3.536 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.493 -19.337 -3.608 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.451 -20.101 -2.422 1.00 0.00 C ATOM 0 H THR A 68 1.803 -17.769 -1.713 1.00 0.00 H new ATOM 0 HA THR A 68 4.349 -17.631 -3.192 1.00 0.00 H new ATOM 0 HB THR A 68 3.344 -19.502 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.261 -20.269 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.197 -21.140 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.535 -19.996 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.010 -19.806 -1.470 1.00 0.00 H new ATOM 1103 N MET A 69 2.259 -15.683 -3.965 1.00 0.00 N ATOM 1104 CA MET A 69 1.727 -14.742 -4.938 1.00 0.00 C ATOM 1105 C MET A 69 2.075 -13.315 -4.544 1.00 0.00 C ATOM 1106 O MET A 69 2.032 -12.949 -3.369 1.00 0.00 O ATOM 1107 CB MET A 69 0.208 -14.912 -5.031 1.00 0.00 C ATOM 1108 CG MET A 69 -0.150 -16.073 -5.970 1.00 0.00 C ATOM 1109 SD MET A 69 -1.914 -15.989 -6.372 1.00 0.00 S ATOM 1110 CE MET A 69 -1.861 -14.465 -7.357 1.00 0.00 C ATOM 0 H MET A 69 2.228 -15.358 -2.999 1.00 0.00 H new ATOM 0 HA MET A 69 2.173 -14.944 -5.912 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.204 -15.099 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.245 -13.990 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.446 -16.017 -6.881 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.082 -17.026 -5.495 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.633 -14.502 -8.126 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.035 -13.606 -6.708 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.883 -14.371 -7.829 1.00 0.00 H new ATOM 1120 N GLY A 70 2.423 -12.514 -5.545 1.00 0.00 N ATOM 1121 CA GLY A 70 2.784 -11.124 -5.321 1.00 0.00 C ATOM 1122 C GLY A 70 1.591 -10.205 -5.519 1.00 0.00 C ATOM 1123 O GLY A 70 0.595 -10.581 -6.135 1.00 0.00 O ATOM 0 H GLY A 70 2.462 -12.807 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.173 -11.006 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.583 -10.839 -6.005 1.00 0.00 H new ATOM 1127 N TYR A 71 1.714 -8.988 -4.999 1.00 0.00 N ATOM 1128 CA TYR A 71 0.657 -7.990 -5.120 1.00 0.00 C ATOM 1129 C TYR A 71 1.266 -6.600 -5.282 1.00 0.00 C ATOM 1130 O TYR A 71 2.197 -6.235 -4.563 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.238 -8.011 -3.867 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.229 -9.147 -3.954 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.861 -10.436 -3.555 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.524 -8.903 -4.427 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.787 -11.482 -3.631 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.450 -9.949 -4.500 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.082 -11.238 -4.103 1.00 0.00 C ATOM 1138 OH TYR A 71 -3.996 -12.270 -4.175 1.00 0.00 O ATOM 0 H TYR A 71 2.537 -8.669 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 71 0.055 -8.226 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.377 -8.122 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.768 -7.063 -3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.137 -10.624 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.808 -7.908 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.503 -12.478 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.450 -9.761 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.314 -12.362 -5.097 1.00 0.00 H new ATOM 1148 N GLU A 72 0.726 -5.822 -6.216 1.00 0.00 N ATOM 1149 CA GLU A 72 1.213 -4.461 -6.446 1.00 0.00 C ATOM 1150 C GLU A 72 0.352 -3.493 -5.646 1.00 0.00 C ATOM 1151 O GLU A 72 -0.821 -3.759 -5.414 1.00 0.00 O ATOM 1152 CB GLU A 72 1.158 -4.113 -7.950 1.00 0.00 C ATOM 1153 CG GLU A 72 1.236 -5.395 -8.783 1.00 0.00 C ATOM 1154 CD GLU A 72 1.652 -5.074 -10.215 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.811 -3.901 -10.516 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.809 -6.003 -10.990 1.00 0.00 O ATOM 0 H GLU A 72 -0.043 -6.106 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 72 2.251 -4.385 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.235 -3.578 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.983 -3.449 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.952 -6.084 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.268 -5.896 -8.782 1.00 0.00 H new ATOM 1163 N VAL A 73 0.936 -2.378 -5.218 1.00 0.00 N ATOM 1164 CA VAL A 73 0.197 -1.380 -4.436 1.00 0.00 C ATOM 1165 C VAL A 73 0.386 0.001 -5.048 1.00 0.00 C ATOM 1166 O VAL A 73 1.502 0.400 -5.361 1.00 0.00 O ATOM 1167 CB VAL A 73 0.701 -1.360 -2.985 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.385 -0.798 -2.060 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.061 -2.783 -2.548 1.00 0.00 C ATOM 0 H VAL A 73 1.912 -2.139 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.860 -1.646 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 73 1.585 -0.725 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.019 -0.788 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.634 0.218 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.275 -1.424 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.419 -2.768 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.178 -3.419 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.843 -3.176 -3.198 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.710 0.733 -5.200 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.664 2.080 -5.758 1.00 0.00 C ATOM 1181 C GLN A 74 -1.278 3.064 -4.774 1.00 0.00 C ATOM 1182 O GLN A 74 -2.486 3.071 -4.542 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.408 2.108 -7.086 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.427 3.532 -7.637 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.927 3.531 -9.077 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.233 2.398 -9.651 1.00 0.00 O flip ATOM 1187 NE2 GLN A 74 -2.039 4.587 -9.699 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.645 0.416 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 74 0.372 2.369 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.925 1.439 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.427 1.747 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.071 4.160 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.426 3.961 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.800 5.471 -9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.371 4.578 -10.663 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.411 3.874 -4.177 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.819 4.859 -3.176 1.00 0.00 C ATOM 1198 C ILE A 75 -1.001 6.234 -3.808 1.00 0.00 C ATOM 1199 O ILE A 75 -0.131 6.720 -4.516 1.00 0.00 O ATOM 1200 CB ILE A 75 0.272 4.896 -2.074 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.065 3.921 -0.941 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.469 6.305 -1.496 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.098 2.486 -1.440 1.00 0.00 C ATOM 0 H ILE A 75 0.590 3.869 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.779 4.578 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 75 1.205 4.594 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.590 4.097 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.087 4.084 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.243 6.279 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.770 6.986 -2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.466 6.652 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.141 1.791 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.575 2.314 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.127 2.327 -1.762 1.00 0.00 H new ATOM 1215 N THR A 76 -2.132 6.869 -3.515 1.00 0.00 N ATOM 1216 CA THR A 76 -2.403 8.209 -4.029 1.00 0.00 C ATOM 1217 C THR A 76 -2.964 9.074 -2.908 1.00 0.00 C ATOM 1218 O THR A 76 -4.011 8.767 -2.342 1.00 0.00 O ATOM 1219 CB THR A 76 -3.388 8.148 -5.198 1.00 0.00 C ATOM 1220 OG1 THR A 76 -2.995 7.123 -6.100 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.391 9.486 -5.929 1.00 0.00 C ATOM 0 H THR A 76 -2.871 6.481 -2.929 1.00 0.00 H new ATOM 0 HA THR A 76 -1.474 8.647 -4.393 1.00 0.00 H new ATOM 0 HB THR A 76 -4.387 7.935 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.628 7.084 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.092 9.444 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.692 10.276 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.391 9.696 -6.307 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.262 10.152 -2.588 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.697 11.057 -1.524 1.00 0.00 C ATOM 1231 C ALA A 77 -3.612 12.120 -2.124 1.00 0.00 C ATOM 1232 O ALA A 77 -3.247 12.772 -3.099 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.456 11.699 -0.877 1.00 0.00 C ATOM 0 H ALA A 77 -1.392 10.424 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.249 10.514 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.769 12.376 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.819 10.919 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.900 12.257 -1.631 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.814 12.277 -1.565 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.774 13.250 -2.097 1.00 0.00 C ATOM 1241 C ALA A 78 -5.887 14.493 -1.224 1.00 0.00 C ATOM 1242 O ALA A 78 -6.353 14.435 -0.087 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.152 12.599 -2.219 1.00 0.00 C ATOM 0 H ALA A 78 -5.144 11.752 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.407 13.562 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.863 13.324 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.092 11.744 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.484 12.264 -1.237 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.497 15.630 -1.795 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.583 16.913 -1.108 1.00 0.00 C ATOM 1251 C ASN A 79 -6.563 17.797 -1.856 1.00 0.00 C ATOM 1252 O ASN A 79 -7.305 17.320 -2.714 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.210 17.590 -1.058 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.529 17.509 -2.421 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.770 16.572 -3.184 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.693 18.444 -2.779 1.00 0.00 N ATOM 0 H ASN A 79 -5.116 15.687 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.923 16.754 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.322 18.633 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.587 17.109 -0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.238 18.400 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.494 19.219 -2.147 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.566 19.080 -1.545 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.475 19.991 -2.226 1.00 0.00 C ATOM 1265 C ARG A 80 -7.328 19.828 -3.736 1.00 0.00 C ATOM 1266 O ARG A 80 -8.293 19.989 -4.485 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.192 21.444 -1.837 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.681 21.706 -0.411 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.429 23.172 -0.055 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.954 23.471 1.277 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.435 24.676 1.582 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -8.441 25.628 0.688 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.901 24.909 2.779 1.00 0.00 N ATOM 0 H ARG A 80 -5.965 19.510 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.494 19.747 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.123 21.647 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.691 22.119 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.744 21.477 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.160 21.054 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.360 23.382 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.903 23.819 -0.793 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.952 22.741 1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.077 25.451 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.810 26.549 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.897 24.169 3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.269 25.831 3.012 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.118 19.489 -4.171 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.853 19.281 -5.590 1.00 0.00 C ATOM 1289 C LEU A 81 -6.669 18.091 -6.082 1.00 0.00 C ATOM 1290 O LEU A 81 -7.261 18.123 -7.161 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.357 18.992 -5.808 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.536 20.293 -5.757 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.854 21.194 -6.966 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.839 21.043 -4.453 1.00 0.00 C ATOM 0 H LEU A 81 -5.309 19.353 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.130 20.179 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.000 18.301 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.213 18.503 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.478 20.035 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.261 22.106 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.613 20.665 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.914 21.449 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.257 21.964 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.901 21.284 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.575 20.415 -3.602 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.693 17.042 -5.262 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.430 15.817 -5.579 1.00 0.00 C ATOM 1308 C GLY A 82 -6.507 14.611 -5.492 1.00 0.00 C ATOM 1309 O GLY A 82 -6.866 13.581 -4.923 1.00 0.00 O ATOM 0 H GLY A 82 -6.207 17.015 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.264 15.696 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.854 15.888 -6.581 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.313 14.748 -6.064 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.325 13.672 -6.042 1.00 0.00 C ATOM 1315 C TYR A 83 -2.922 14.264 -6.149 1.00 0.00 C ATOM 1316 O TYR A 83 -2.709 15.224 -6.889 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.578 12.704 -7.202 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.065 12.510 -7.382 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.794 13.415 -8.161 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.714 11.434 -6.766 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.174 13.246 -8.324 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.094 11.263 -6.930 1.00 0.00 C ATOM 1323 CZ TYR A 83 -8.825 12.170 -7.709 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.186 12.006 -7.866 1.00 0.00 O ATOM 0 H TYR A 83 -5.006 15.592 -6.548 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.411 13.124 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.138 13.096 -8.119 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.097 11.746 -7.002 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.292 14.244 -8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.151 10.736 -6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.737 13.946 -8.924 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.595 10.432 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.478 11.210 -7.375 1.00 0.00 H new ATOM 1334 N SER A 84 -1.967 13.708 -5.407 1.00 0.00 N ATOM 1335 CA SER A 84 -0.604 14.228 -5.452 1.00 0.00 C ATOM 1336 C SER A 84 0.393 13.238 -4.863 1.00 0.00 C ATOM 1337 O SER A 84 0.052 12.424 -4.006 1.00 0.00 O ATOM 1338 CB SER A 84 -0.522 15.542 -4.679 1.00 0.00 C ATOM 1339 OG SER A 84 0.820 16.011 -4.688 1.00 0.00 O ATOM 0 H SER A 84 -2.107 12.915 -4.781 1.00 0.00 H new ATOM 0 HA SER A 84 -0.348 14.393 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.181 16.284 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.861 15.395 -3.653 1.00 0.00 H new ATOM 0 HG SER A 84 0.983 16.520 -5.509 1.00 0.00 H new ATOM 1345 N GLU A 85 1.633 13.342 -5.321 1.00 0.00 N ATOM 1346 CA GLU A 85 2.705 12.483 -4.837 1.00 0.00 C ATOM 1347 C GLU A 85 2.257 11.026 -4.739 1.00 0.00 C ATOM 1348 O GLU A 85 2.297 10.426 -3.665 1.00 0.00 O ATOM 1349 CB GLU A 85 3.174 12.984 -3.460 1.00 0.00 C ATOM 1350 CG GLU A 85 4.635 12.582 -3.215 1.00 0.00 C ATOM 1351 CD GLU A 85 4.763 11.064 -3.143 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.765 10.441 -4.191 1.00 0.00 O ATOM 1353 OE2 GLU A 85 4.856 10.548 -2.042 1.00 0.00 O ATOM 0 H GLU A 85 1.922 14.016 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 85 3.529 12.527 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.074 14.068 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.539 12.567 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.265 12.969 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.991 13.028 -2.286 1.00 0.00 H new ATOM 1360 N PRO A 86 1.858 10.441 -5.835 1.00 0.00 N ATOM 1361 CA PRO A 86 1.426 9.017 -5.863 1.00 0.00 C ATOM 1362 C PRO A 86 2.624 8.082 -5.762 1.00 0.00 C ATOM 1363 O PRO A 86 3.725 8.437 -6.185 1.00 0.00 O ATOM 1364 CB PRO A 86 0.737 8.882 -7.223 1.00 0.00 C ATOM 1365 CG PRO A 86 1.435 9.879 -8.089 1.00 0.00 C ATOM 1366 CD PRO A 86 1.770 11.061 -7.171 1.00 0.00 C ATOM 0 HA PRO A 86 0.776 8.753 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.835 7.872 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.330 9.094 -7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.339 9.454 -8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.798 10.193 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.708 11.538 -7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.998 11.830 -7.207 1.00 0.00 H new ATOM 1374 N THR A 87 2.410 6.882 -5.221 1.00 0.00 N ATOM 1375 CA THR A 87 3.489 5.910 -5.105 1.00 0.00 C ATOM 1376 C THR A 87 3.069 4.554 -5.620 1.00 0.00 C ATOM 1377 O THR A 87 2.173 3.907 -5.079 1.00 0.00 O ATOM 1378 CB THR A 87 3.956 5.749 -3.665 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.219 7.027 -3.102 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.229 4.898 -3.633 1.00 0.00 C ATOM 0 H THR A 87 1.510 6.566 -4.861 1.00 0.00 H new ATOM 0 HA THR A 87 4.309 6.298 -5.710 1.00 0.00 H new ATOM 0 HB THR A 87 3.177 5.255 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.518 6.921 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.564 4.783 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.021 3.917 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.009 5.389 -4.215 1.00 0.00 H new ATOM 1388 N VAL A 88 3.771 4.118 -6.642 1.00 0.00 N ATOM 1389 CA VAL A 88 3.541 2.810 -7.232 1.00 0.00 C ATOM 1390 C VAL A 88 4.533 1.841 -6.609 1.00 0.00 C ATOM 1391 O VAL A 88 5.677 1.733 -7.053 1.00 0.00 O ATOM 1392 CB VAL A 88 3.753 2.876 -8.744 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.224 1.597 -9.397 1.00 0.00 C ATOM 1394 CG2 VAL A 88 3.004 4.085 -9.310 1.00 0.00 C ATOM 0 H VAL A 88 4.515 4.654 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 88 2.519 2.481 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 88 4.818 2.973 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.377 1.649 -10.475 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.758 0.736 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.159 1.494 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.154 4.134 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.940 3.987 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.384 4.997 -8.849 1.00 0.00 H new ATOM 1404 N TYR A 89 4.095 1.154 -5.558 1.00 0.00 N ATOM 1405 CA TYR A 89 4.957 0.206 -4.845 1.00 0.00 C ATOM 1406 C TYR A 89 4.667 -1.219 -5.308 1.00 0.00 C ATOM 1407 O TYR A 89 3.517 -1.652 -5.312 1.00 0.00 O ATOM 1408 CB TYR A 89 4.727 0.338 -3.334 1.00 0.00 C ATOM 1409 CG TYR A 89 5.540 -0.693 -2.568 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.927 -0.805 -2.770 1.00 0.00 C ATOM 1411 CD2 TYR A 89 4.904 -1.531 -1.643 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.664 -1.751 -2.054 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.647 -2.475 -0.925 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.025 -2.585 -1.132 1.00 0.00 C ATOM 1415 OH TYR A 89 7.756 -3.520 -0.427 1.00 0.00 O ATOM 0 H TYR A 89 3.151 1.233 -5.179 1.00 0.00 H new ATOM 0 HA TYR A 89 6.000 0.432 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.003 1.340 -3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.668 0.210 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.423 -0.159 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.839 -1.448 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.729 -1.838 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.155 -3.119 -0.211 1.00 0.00 H new ATOM 0 HH TYR A 89 7.492 -4.421 -0.707 1.00 0.00 H new ATOM 1425 N GLU A 90 5.711 -1.942 -5.717 1.00 0.00 N ATOM 1426 CA GLU A 90 5.552 -3.315 -6.201 1.00 0.00 C ATOM 1427 C GLU A 90 6.544 -4.252 -5.520 1.00 0.00 C ATOM 1428 O GLU A 90 7.733 -3.956 -5.416 1.00 0.00 O ATOM 1429 CB GLU A 90 5.761 -3.352 -7.718 1.00 0.00 C ATOM 1430 CG GLU A 90 6.990 -2.515 -8.082 1.00 0.00 C ATOM 1431 CD GLU A 90 7.331 -2.696 -9.557 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.739 -3.560 -10.181 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.189 -1.974 -10.038 1.00 0.00 O ATOM 0 H GLU A 90 6.672 -1.602 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 90 4.544 -3.652 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.896 -4.381 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.879 -2.964 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.798 -1.463 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.838 -2.813 -7.466 1.00 0.00 H new ATOM 1440 N PHE A 91 6.036 -5.389 -5.057 1.00 0.00 N ATOM 1441 CA PHE A 91 6.874 -6.377 -4.386 1.00 0.00 C ATOM 1442 C PHE A 91 6.131 -7.703 -4.258 1.00 0.00 C ATOM 1443 O PHE A 91 4.935 -7.727 -3.968 1.00 0.00 O ATOM 1444 CB PHE A 91 7.267 -5.862 -2.995 1.00 0.00 C ATOM 1445 CG PHE A 91 6.065 -5.921 -2.072 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.024 -5.000 -2.218 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.994 -6.908 -1.079 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.911 -5.062 -1.373 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.881 -6.969 -0.232 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.839 -6.047 -0.379 1.00 0.00 C ATOM 0 H PHE A 91 5.053 -5.649 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 91 7.774 -6.537 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.080 -6.465 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.634 -4.838 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.079 -4.240 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.798 -7.621 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.107 -4.350 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.827 -7.728 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.980 -6.094 0.273 1.00 0.00 H new ATOM 1460 N SER A 92 6.848 -8.805 -4.465 1.00 0.00 N ATOM 1461 CA SER A 92 6.248 -10.128 -4.359 1.00 0.00 C ATOM 1462 C SER A 92 6.325 -10.622 -2.915 1.00 0.00 C ATOM 1463 O SER A 92 7.175 -10.176 -2.143 1.00 0.00 O ATOM 1464 CB SER A 92 6.961 -11.107 -5.305 1.00 0.00 C ATOM 1465 OG SER A 92 8.315 -10.700 -5.468 1.00 0.00 O ATOM 0 H SER A 92 7.839 -8.806 -4.706 1.00 0.00 H new ATOM 0 HA SER A 92 5.199 -10.069 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.919 -12.118 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.457 -11.130 -6.271 1.00 0.00 H new ATOM 0 HG SER A 92 8.774 -11.323 -6.069 1.00 0.00 H new ATOM 1471 N MET A 93 5.434 -11.542 -2.556 1.00 0.00 N ATOM 1472 CA MET A 93 5.412 -12.084 -1.199 1.00 0.00 C ATOM 1473 C MET A 93 6.390 -13.257 -1.071 1.00 0.00 C ATOM 1474 O MET A 93 6.582 -14.011 -2.026 1.00 0.00 O ATOM 1475 CB MET A 93 4.004 -12.578 -0.865 1.00 0.00 C ATOM 1476 CG MET A 93 3.042 -11.390 -0.790 1.00 0.00 C ATOM 1477 SD MET A 93 3.342 -10.464 0.739 1.00 0.00 S ATOM 1478 CE MET A 93 2.780 -11.721 1.919 1.00 0.00 C ATOM 0 H MET A 93 4.723 -11.926 -3.179 1.00 0.00 H new ATOM 0 HA MET A 93 5.707 -11.294 -0.509 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.667 -13.284 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.012 -13.112 0.085 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.181 -10.741 -1.654 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.011 -11.741 -0.818 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.105 -11.264 2.643 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.256 -12.513 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.640 -12.142 2.440 1.00 0.00 H new ATOM 1488 N PRO A 94 6.992 -13.446 0.082 1.00 0.00 N ATOM 1489 CA PRO A 94 7.937 -14.577 0.313 1.00 0.00 C ATOM 1490 C PRO A 94 7.180 -15.893 0.505 1.00 0.00 C ATOM 1491 O PRO A 94 5.984 -15.884 0.786 1.00 0.00 O ATOM 1492 CB PRO A 94 8.661 -14.169 1.602 1.00 0.00 C ATOM 1493 CG PRO A 94 7.652 -13.360 2.353 1.00 0.00 C ATOM 1494 CD PRO A 94 6.847 -12.609 1.294 1.00 0.00 C ATOM 0 HA PRO A 94 8.614 -14.746 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.977 -15.041 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.557 -13.587 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.006 -14.001 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.139 -12.666 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.802 -12.504 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.236 -11.603 1.135 1.00 0.00 H new ATOM 1502 N PRO A 95 7.842 -17.010 0.376 1.00 0.00 N ATOM 1503 CA PRO A 95 7.198 -18.344 0.564 1.00 0.00 C ATOM 1504 C PRO A 95 6.736 -18.534 2.009 1.00 0.00 C ATOM 1505 O PRO A 95 7.222 -17.856 2.914 1.00 0.00 O ATOM 1506 CB PRO A 95 8.307 -19.343 0.183 1.00 0.00 C ATOM 1507 CG PRO A 95 9.586 -18.591 0.379 1.00 0.00 C ATOM 1508 CD PRO A 95 9.270 -17.136 0.032 1.00 0.00 C ATOM 0 HA PRO A 95 6.300 -18.472 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.271 -20.232 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.200 -19.678 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.939 -18.680 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.374 -18.984 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.885 -16.443 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.450 -16.925 -1.022 1.00 0.00 H new ATOM 1516 N LYS A 96 5.787 -19.449 2.212 1.00 0.00 N ATOM 1517 CA LYS A 96 5.251 -19.715 3.552 1.00 0.00 C ATOM 1518 C LYS A 96 6.371 -19.641 4.603 1.00 0.00 C ATOM 1519 O LYS A 96 7.419 -20.263 4.426 1.00 0.00 O ATOM 1520 CB LYS A 96 4.614 -21.112 3.582 1.00 0.00 C ATOM 1521 CG LYS A 96 3.959 -21.393 4.956 1.00 0.00 C ATOM 1522 CD LYS A 96 2.518 -20.840 4.987 1.00 0.00 C ATOM 1523 CE LYS A 96 1.543 -21.881 4.422 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.469 -23.043 5.351 1.00 0.00 N ATOM 0 H LYS A 96 5.374 -20.017 1.472 1.00 0.00 H new ATOM 0 HA LYS A 96 4.499 -18.961 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.864 -21.191 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.373 -21.866 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.948 -22.466 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.549 -20.933 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.239 -20.586 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.460 -19.921 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.555 -21.439 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.874 -22.209 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.531 -23.487 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.201 -23.737 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.623 -22.718 6.327 1.00 0.00 H new ATOM 1538 N PRO A 97 6.196 -18.904 5.684 1.00 0.00 N ATOM 1539 CA PRO A 97 7.255 -18.798 6.731 1.00 0.00 C ATOM 1540 C PRO A 97 7.496 -20.125 7.454 1.00 0.00 C ATOM 1541 O PRO A 97 6.562 -20.884 7.713 1.00 0.00 O ATOM 1542 CB PRO A 97 6.729 -17.718 7.691 1.00 0.00 C ATOM 1543 CG PRO A 97 5.248 -17.693 7.493 1.00 0.00 C ATOM 1544 CD PRO A 97 5.000 -18.099 6.040 1.00 0.00 C ATOM 0 HA PRO A 97 8.224 -18.542 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.983 -17.955 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.171 -16.747 7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.753 -18.381 8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.846 -16.700 7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.083 -18.680 5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.898 -17.227 5.394 1.00 0.00 H new