USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 58 CYS SG : rot 180:sc= -0.184 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.236 K(o=-0.42,f=-2) USER MOD Set 2.1: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 LYS NZ :NH3+ 167:sc= -0.768! (180deg=-1.22!) USER MOD Set 3.2: A 84 SER OG : rot -130:sc= 0.636 USER MOD Set 4.1: A 13 TYR OH : rot 163:sc= 0.00737 USER MOD Set 4.2: A 41 SER OG : rot -132:sc= 0.366 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= -0.18 (180deg=-0.591) USER MOD Single : A 11 GLN : amide:sc= -0.685 X(o=-0.68,f=-0.84) USER MOD Single : A 14 MET CE :methyl -171:sc= -3 (180deg=-3.59!) USER MOD Single : A 15 MET CE :methyl -151:sc= -0.733 (180deg=-1.32) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 0.536 (180deg=-0.463) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= 1.54 (180deg=0.59) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 37 SER OG : rot -111:sc= 0.928 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.0482 (180deg=-0.282) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.51! C(o=-3.5!,f=-6.1!) USER MOD Single : A 61 SER OG : rot -171:sc= -0.836 USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= -0.0577 (180deg=-1.08) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 140:sc= -1.28 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.064) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 139:sc= -0.904 (180deg=-2.65!) USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= -0.129 (180deg=-0.549) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.13) USER MOD Single : A 100 SER OG : rot 88:sc= 0.314 USER MOD Single : A 101 THR OG1 : rot 92:sc= 1.33 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.747 F(o=-2.2!,f=-0.75) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.833 8.978 -2.270 1.00 0.00 N ATOM 67 CA VAL A 8 -10.547 8.663 -1.661 1.00 0.00 C ATOM 68 C VAL A 8 -10.544 9.004 -0.175 1.00 0.00 C ATOM 69 O VAL A 8 -10.976 10.085 0.226 1.00 0.00 O ATOM 70 CB VAL A 8 -9.397 9.420 -2.352 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.658 10.918 -2.335 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.069 9.094 -1.687 1.00 0.00 C ATOM 0 HA VAL A 8 -10.393 7.591 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.345 9.096 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.835 11.436 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.588 11.131 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.738 11.262 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.268 9.638 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.106 9.388 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.880 8.023 -1.758 1.00 0.00 H new ATOM 82 N LEU A 9 -10.053 8.075 0.639 1.00 0.00 N ATOM 83 CA LEU A 9 -9.993 8.277 2.082 1.00 0.00 C ATOM 84 C LEU A 9 -8.805 9.156 2.460 1.00 0.00 C ATOM 85 O LEU A 9 -8.954 10.145 3.178 1.00 0.00 O ATOM 86 CB LEU A 9 -9.895 6.931 2.801 1.00 0.00 C ATOM 87 CG LEU A 9 -10.747 5.798 2.225 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.341 4.464 2.832 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.225 6.068 2.465 1.00 0.00 C ATOM 0 H LEU A 9 -9.691 7.175 0.324 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.908 8.782 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.852 6.614 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.178 7.077 3.844 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.577 5.751 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.957 3.670 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.293 4.267 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.482 4.498 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.816 5.252 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.412 6.142 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.507 7.004 1.982 1.00 0.00 H new ATOM 101 N LYS A 10 -7.626 8.790 1.970 1.00 0.00 N ATOM 102 CA LYS A 10 -6.411 9.546 2.252 1.00 0.00 C ATOM 103 C LYS A 10 -5.717 9.962 0.959 1.00 0.00 C ATOM 104 O LYS A 10 -5.908 9.341 -0.086 1.00 0.00 O ATOM 105 CB LYS A 10 -5.456 8.714 3.111 1.00 0.00 C ATOM 106 CG LYS A 10 -4.594 9.548 4.044 1.00 0.00 C ATOM 107 CD LYS A 10 -3.641 8.679 4.847 1.00 0.00 C ATOM 108 CE LYS A 10 -2.949 9.477 5.942 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.926 10.086 6.887 1.00 0.00 N ATOM 0 H LYS A 10 -7.485 7.974 1.375 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.692 10.446 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.036 8.005 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.809 8.129 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.025 10.274 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.232 10.113 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.190 7.849 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.893 8.247 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.270 8.826 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.342 10.262 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.438 10.353 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.347 10.932 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.676 9.398 7.103 1.00 0.00 H new ATOM 123 N GLN A 11 -4.910 11.016 1.039 1.00 0.00 N ATOM 124 CA GLN A 11 -4.187 11.514 -0.125 1.00 0.00 C ATOM 125 C GLN A 11 -2.978 12.341 0.298 1.00 0.00 C ATOM 126 O GLN A 11 -3.079 13.207 1.165 1.00 0.00 O ATOM 127 CB GLN A 11 -5.113 12.355 -1.005 1.00 0.00 C ATOM 128 CG GLN A 11 -5.648 13.598 -0.312 1.00 0.00 C ATOM 129 CD GLN A 11 -6.294 14.572 -1.277 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.900 15.736 -1.359 1.00 0.00 O ATOM 131 NE2 GLN A 11 -7.292 14.101 -2.015 1.00 0.00 N ATOM 0 H GLN A 11 -4.741 11.541 1.897 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.834 10.656 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.574 12.654 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.953 11.739 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.377 13.303 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.832 14.097 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.586 13.129 -1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.765 14.711 -2.682 1.00 0.00 H new ATOM 140 N GLY A 12 -1.833 12.067 -0.321 1.00 0.00 N ATOM 141 CA GLY A 12 -0.621 12.794 0.005 1.00 0.00 C ATOM 142 C GLY A 12 0.587 12.277 -0.752 1.00 0.00 C ATOM 143 O GLY A 12 0.695 11.080 -1.018 1.00 0.00 O ATOM 0 H GLY A 12 -1.724 11.354 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.763 13.851 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.434 12.720 1.076 1.00 0.00 H new ATOM 147 N TYR A 13 1.495 13.181 -1.101 1.00 0.00 N ATOM 148 CA TYR A 13 2.699 12.811 -1.836 1.00 0.00 C ATOM 149 C TYR A 13 3.584 11.890 -1.002 1.00 0.00 C ATOM 150 O TYR A 13 4.064 12.271 0.065 1.00 0.00 O ATOM 151 CB TYR A 13 3.482 14.062 -2.238 1.00 0.00 C ATOM 152 CG TYR A 13 2.997 14.692 -3.524 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.966 13.965 -4.708 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.570 16.013 -3.556 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.525 14.537 -5.886 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.126 16.593 -4.728 1.00 0.00 C ATOM 157 CZ TYR A 13 2.106 15.851 -5.891 1.00 0.00 C ATOM 158 OH TYR A 13 1.665 16.423 -7.062 1.00 0.00 O ATOM 0 H TYR A 13 1.421 14.175 -0.887 1.00 0.00 H new ATOM 0 HA TYR A 13 2.395 12.277 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.414 14.796 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.535 13.803 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.292 12.935 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.585 16.597 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.509 13.958 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.796 17.621 -4.734 1.00 0.00 H new ATOM 0 HH TYR A 13 1.160 17.238 -6.858 1.00 0.00 H new ATOM 168 N MET A 14 3.796 10.675 -1.498 1.00 0.00 N ATOM 169 CA MET A 14 4.625 9.699 -0.801 1.00 0.00 C ATOM 170 C MET A 14 5.698 9.135 -1.728 1.00 0.00 C ATOM 171 O MET A 14 5.513 9.078 -2.943 1.00 0.00 O ATOM 172 CB MET A 14 3.760 8.562 -0.252 1.00 0.00 C ATOM 173 CG MET A 14 2.847 8.988 0.886 1.00 0.00 C ATOM 174 SD MET A 14 2.308 7.598 1.901 1.00 0.00 S ATOM 175 CE MET A 14 1.228 6.743 0.756 1.00 0.00 C ATOM 0 H MET A 14 3.405 10.343 -2.380 1.00 0.00 H new ATOM 0 HA MET A 14 5.117 10.205 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.153 8.155 -1.061 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.409 7.758 0.095 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.368 9.711 1.514 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.973 9.494 0.476 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.692 5.953 1.282 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.512 7.449 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.822 6.306 -0.047 1.00 0.00 H new ATOM 185 N MET A 15 6.818 8.722 -1.146 1.00 0.00 N ATOM 186 CA MET A 15 7.920 8.162 -1.921 1.00 0.00 C ATOM 187 C MET A 15 7.850 6.638 -1.943 1.00 0.00 C ATOM 188 O MET A 15 7.935 5.987 -0.901 1.00 0.00 O ATOM 189 CB MET A 15 9.261 8.614 -1.340 1.00 0.00 C ATOM 190 CG MET A 15 9.425 10.125 -1.294 1.00 0.00 C ATOM 191 SD MET A 15 11.136 10.630 -1.030 1.00 0.00 S ATOM 192 CE MET A 15 11.723 10.733 -2.719 1.00 0.00 C ATOM 0 H MET A 15 6.987 8.764 -0.141 1.00 0.00 H new ATOM 0 HA MET A 15 7.834 8.527 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.364 8.215 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.068 8.187 -1.935 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.064 10.554 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.803 10.530 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.792 10.522 -2.746 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.194 10.005 -3.333 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.541 11.735 -3.107 1.00 0.00 H new ATOM 202 N LYS A 16 7.694 6.075 -3.136 1.00 0.00 N ATOM 203 CA LYS A 16 7.614 4.628 -3.295 1.00 0.00 C ATOM 204 C LYS A 16 8.928 4.065 -3.827 1.00 0.00 C ATOM 205 O LYS A 16 9.559 4.656 -4.705 1.00 0.00 O ATOM 206 CB LYS A 16 6.469 4.261 -4.242 1.00 0.00 C ATOM 207 CG LYS A 16 6.583 2.861 -4.821 1.00 0.00 C ATOM 208 CD LYS A 16 5.228 2.321 -5.245 1.00 0.00 C ATOM 209 CE LYS A 16 4.861 2.778 -6.649 1.00 0.00 C ATOM 210 NZ LYS A 16 4.252 4.137 -6.649 1.00 0.00 N ATOM 0 H LYS A 16 7.620 6.599 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 16 7.422 4.190 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.524 4.348 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.439 4.982 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.255 2.875 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.026 2.195 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.241 1.232 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.465 2.655 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.753 2.780 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.163 2.067 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.535 4.196 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.804 4.317 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.991 4.849 -6.820 1.00 0.00 H new ATOM 224 N LYS A 17 9.335 2.919 -3.292 1.00 0.00 N ATOM 225 CA LYS A 17 10.573 2.274 -3.715 1.00 0.00 C ATOM 226 C LYS A 17 10.431 1.689 -5.116 1.00 0.00 C ATOM 227 O LYS A 17 9.573 0.843 -5.362 1.00 0.00 O ATOM 228 CB LYS A 17 10.960 1.171 -2.727 1.00 0.00 C ATOM 229 CG LYS A 17 12.459 0.948 -2.621 1.00 0.00 C ATOM 230 CD LYS A 17 12.850 0.428 -1.248 1.00 0.00 C ATOM 231 CE LYS A 17 14.356 0.263 -1.123 1.00 0.00 C ATOM 232 NZ LYS A 17 15.068 1.566 -1.229 1.00 0.00 N ATOM 0 H LYS A 17 8.826 2.417 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 17 11.359 3.029 -3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.568 1.423 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.483 0.239 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.777 0.238 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.982 1.884 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.494 1.117 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.362 -0.530 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.592 -0.203 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.713 -0.410 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.952 1.524 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.287 1.762 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.463 2.324 -0.852 1.00 0.00 H new ATOM 355 N TRP A 24 14.476 6.420 -4.621 1.00 0.00 N ATOM 356 CA TRP A 24 13.241 6.916 -4.023 1.00 0.00 C ATOM 357 C TRP A 24 12.703 8.112 -4.800 1.00 0.00 C ATOM 358 O TRP A 24 13.446 9.037 -5.130 1.00 0.00 O ATOM 359 CB TRP A 24 13.478 7.304 -2.563 1.00 0.00 C ATOM 360 CG TRP A 24 13.751 6.130 -1.673 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.974 5.674 -1.270 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.780 5.263 -1.076 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.822 4.575 -0.460 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.486 4.303 -0.324 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.385 5.205 -1.102 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.841 3.299 0.392 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.746 4.208 -0.391 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.473 3.266 0.349 1.00 0.00 C ATOM 0 HA TRP A 24 12.500 6.118 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.320 7.994 -2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.604 7.838 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.921 6.113 -1.547 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.581 4.047 -0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.816 5.927 -1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.400 2.571 0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.667 4.154 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.944 2.499 0.896 1.00 0.00 H new ATOM 379 N THR A 25 11.406 8.089 -5.091 1.00 0.00 N ATOM 380 CA THR A 25 10.768 9.171 -5.830 1.00 0.00 C ATOM 381 C THR A 25 9.378 9.469 -5.279 1.00 0.00 C ATOM 382 O THR A 25 8.603 8.555 -5.001 1.00 0.00 O ATOM 383 CB THR A 25 10.653 8.836 -7.329 1.00 0.00 C ATOM 384 OG1 THR A 25 9.902 7.629 -7.505 1.00 0.00 O ATOM 385 CG2 THR A 25 12.030 8.679 -7.956 1.00 0.00 C ATOM 0 H THR A 25 10.776 7.332 -4.826 1.00 0.00 H new ATOM 0 HA THR A 25 11.400 10.051 -5.709 1.00 0.00 H new ATOM 0 HB THR A 25 10.138 9.659 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.832 7.424 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.923 8.443 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.588 9.609 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.567 7.873 -7.457 1.00 0.00 H new ATOM 393 N GLU A 26 9.071 10.753 -5.124 1.00 0.00 N ATOM 394 CA GLU A 26 7.773 11.170 -4.605 1.00 0.00 C ATOM 395 C GLU A 26 6.668 10.894 -5.621 1.00 0.00 C ATOM 396 O GLU A 26 6.900 10.920 -6.829 1.00 0.00 O ATOM 397 CB GLU A 26 7.795 12.658 -4.250 1.00 0.00 C ATOM 398 CG GLU A 26 6.711 13.066 -3.267 1.00 0.00 C ATOM 399 CD GLU A 26 7.023 14.371 -2.561 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.919 14.374 -1.691 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.373 15.388 -2.879 1.00 0.00 O ATOM 0 H GLU A 26 9.702 11.522 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 26 7.567 10.592 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.769 12.908 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.684 13.242 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.763 13.162 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.583 12.278 -2.525 1.00 0.00 H new ATOM 408 N ARG A 27 5.465 10.631 -5.120 1.00 0.00 N ATOM 409 CA ARG A 27 4.324 10.349 -5.982 1.00 0.00 C ATOM 410 C ARG A 27 3.018 10.425 -5.197 1.00 0.00 C ATOM 411 O ARG A 27 2.950 10.001 -4.043 1.00 0.00 O ATOM 412 CB ARG A 27 4.469 8.966 -6.619 1.00 0.00 C ATOM 413 CG ARG A 27 5.344 8.956 -7.862 1.00 0.00 C ATOM 414 CD ARG A 27 5.026 7.769 -8.758 1.00 0.00 C ATOM 415 NE ARG A 27 5.826 6.596 -8.417 1.00 0.00 N ATOM 416 CZ ARG A 27 6.073 5.603 -9.264 1.00 0.00 C ATOM 417 NH1 ARG A 27 5.584 5.641 -10.496 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.810 4.569 -8.880 1.00 0.00 N ATOM 0 H ARG A 27 5.256 10.607 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 27 4.299 11.103 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.889 8.279 -5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.480 8.589 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.199 9.882 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.393 8.921 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.968 7.523 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.207 8.041 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 27 6.217 6.536 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.017 6.434 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.775 4.877 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.188 4.536 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.999 3.807 -9.532 1.00 0.00 H new ATOM 432 N TRP A 28 1.984 10.968 -5.830 1.00 0.00 N ATOM 433 CA TRP A 28 0.680 11.100 -5.191 1.00 0.00 C ATOM 434 C TRP A 28 0.049 9.732 -4.954 1.00 0.00 C ATOM 435 O TRP A 28 0.070 8.868 -5.830 1.00 0.00 O ATOM 436 CB TRP A 28 -0.247 11.961 -6.050 1.00 0.00 C ATOM 437 CG TRP A 28 -1.451 12.459 -5.309 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.755 12.127 -5.546 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.463 13.379 -4.212 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.576 12.785 -4.663 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.808 13.559 -3.834 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.468 14.066 -3.511 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -3.180 14.398 -2.787 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.840 14.899 -2.473 1.00 0.00 C ATOM 445 CH2 TRP A 28 -2.186 15.059 -2.119 1.00 0.00 C ATOM 0 H TRP A 28 2.024 11.324 -6.785 1.00 0.00 H new ATOM 0 HA TRP A 28 0.824 11.585 -4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.313 12.814 -6.434 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.574 11.381 -6.913 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.091 11.447 -6.315 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.593 12.709 -4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.572 13.948 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.217 14.523 -2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.080 15.436 -1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.444 15.717 -1.303 1.00 0.00 H new ATOM 456 N PHE A 29 -0.513 9.543 -3.764 1.00 0.00 N ATOM 457 CA PHE A 29 -1.149 8.279 -3.412 1.00 0.00 C ATOM 458 C PHE A 29 -2.613 8.493 -3.039 1.00 0.00 C ATOM 459 O PHE A 29 -2.940 9.368 -2.237 1.00 0.00 O ATOM 460 CB PHE A 29 -0.407 7.616 -2.250 1.00 0.00 C ATOM 461 CG PHE A 29 0.693 6.693 -2.691 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.935 7.195 -3.048 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.486 5.324 -2.748 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.950 6.348 -3.453 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.497 4.473 -3.152 1.00 0.00 C ATOM 466 CZ PHE A 29 2.730 4.986 -3.506 1.00 0.00 C ATOM 0 H PHE A 29 -0.541 10.249 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.105 7.624 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.014 8.390 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.121 7.056 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.112 8.260 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.476 4.918 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.914 6.751 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.323 3.408 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.521 4.323 -3.824 1.00 0.00 H new ATOM 476 N VAL A 30 -3.492 7.688 -3.627 1.00 0.00 N ATOM 477 CA VAL A 30 -4.921 7.787 -3.358 1.00 0.00 C ATOM 478 C VAL A 30 -5.447 6.515 -2.702 1.00 0.00 C ATOM 479 O VAL A 30 -5.771 5.541 -3.382 1.00 0.00 O ATOM 480 CB VAL A 30 -5.719 8.054 -4.648 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.213 8.062 -4.360 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.282 9.366 -5.282 1.00 0.00 C ATOM 0 H VAL A 30 -3.239 6.959 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.056 8.627 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.515 7.250 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.760 8.252 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.511 7.095 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.440 8.845 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.856 9.539 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.456 10.184 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.221 9.317 -5.526 1.00 0.00 H new ATOM 492 N LEU A 31 -5.529 6.531 -1.376 1.00 0.00 N ATOM 493 CA LEU A 31 -6.017 5.378 -0.627 1.00 0.00 C ATOM 494 C LEU A 31 -7.533 5.255 -0.741 1.00 0.00 C ATOM 495 O LEU A 31 -8.277 5.915 -0.015 1.00 0.00 O ATOM 496 CB LEU A 31 -5.613 5.493 0.844 1.00 0.00 C ATOM 497 CG LEU A 31 -6.273 4.501 1.802 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.882 3.075 1.446 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.895 4.816 3.241 1.00 0.00 C ATOM 0 H LEU A 31 -5.264 7.329 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.566 4.482 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.532 5.370 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.841 6.503 1.185 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.354 4.595 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.361 2.383 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.205 2.852 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.800 2.966 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.374 4.100 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.813 4.751 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.227 5.824 3.492 1.00 0.00 H new ATOM 511 N LYS A 32 -7.985 4.405 -1.656 1.00 0.00 N ATOM 512 CA LYS A 32 -9.412 4.192 -1.865 1.00 0.00 C ATOM 513 C LYS A 32 -9.982 3.252 -0.807 1.00 0.00 C ATOM 514 O LYS A 32 -9.252 2.546 -0.111 1.00 0.00 O ATOM 515 CB LYS A 32 -9.664 3.617 -3.261 1.00 0.00 C ATOM 516 CG LYS A 32 -9.862 4.679 -4.328 1.00 0.00 C ATOM 517 CD LYS A 32 -11.179 5.416 -4.145 1.00 0.00 C ATOM 518 CE LYS A 32 -11.266 6.636 -5.049 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.650 7.180 -5.116 1.00 0.00 N ATOM 0 H LYS A 32 -7.383 3.852 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.914 5.156 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.822 2.984 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.546 2.978 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.038 5.391 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.838 4.214 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.008 4.742 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.283 5.725 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.590 7.408 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.932 6.369 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.667 8.010 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.292 6.452 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.960 7.458 -4.163 1.00 0.00 H new ATOM 533 N PRO A 33 -11.318 3.241 -0.682 1.00 0.00 N ATOM 534 CA PRO A 33 -12.015 2.391 0.288 1.00 0.00 C ATOM 535 C PRO A 33 -11.938 0.912 -0.077 1.00 0.00 C ATOM 536 O PRO A 33 -12.034 0.044 0.789 1.00 0.00 O ATOM 537 CB PRO A 33 -13.462 2.885 0.217 1.00 0.00 C ATOM 538 CG PRO A 33 -13.595 3.472 -1.146 1.00 0.00 C ATOM 539 CD PRO A 33 -12.250 4.056 -1.478 1.00 0.00 C ATOM 0 HA PRO A 33 -11.575 2.461 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.167 2.067 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.665 3.627 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.880 2.711 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.369 4.239 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.034 3.987 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.192 5.111 -1.209 1.00 0.00 H new ATOM 547 N ASN A 34 -11.765 0.633 -1.365 1.00 0.00 N ATOM 548 CA ASN A 34 -11.675 -0.741 -1.844 1.00 0.00 C ATOM 549 C ASN A 34 -10.526 -0.898 -2.835 1.00 0.00 C ATOM 550 O ASN A 34 -10.545 -1.787 -3.687 1.00 0.00 O ATOM 551 CB ASN A 34 -12.992 -1.161 -2.501 1.00 0.00 C ATOM 552 CG ASN A 34 -14.105 -1.360 -1.491 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.890 -1.248 -0.283 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.302 -1.657 -1.981 1.00 0.00 N ATOM 0 H ASN A 34 -11.684 1.340 -2.095 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.482 -1.386 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.292 -0.402 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.839 -2.087 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.090 -1.802 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.434 -1.740 -2.989 1.00 0.00 H new ATOM 561 N ILE A 35 -9.527 -0.030 -2.717 1.00 0.00 N ATOM 562 CA ILE A 35 -8.369 -0.074 -3.601 1.00 0.00 C ATOM 563 C ILE A 35 -7.369 1.023 -3.251 1.00 0.00 C ATOM 564 O ILE A 35 -7.598 1.818 -2.339 1.00 0.00 O ATOM 565 CB ILE A 35 -8.782 0.076 -5.077 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.722 -0.543 -5.991 1.00 0.00 C ATOM 567 CG2 ILE A 35 -8.996 1.542 -5.421 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.297 -1.193 -7.230 1.00 0.00 C ATOM 0 H ILE A 35 -9.496 0.712 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.901 -1.048 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.722 -0.454 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.016 0.231 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.159 -1.287 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.287 1.631 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.783 1.953 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.071 2.094 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.489 -1.610 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.981 -1.990 -6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.836 -0.448 -7.815 1.00 0.00 H new ATOM 580 N ILE A 36 -6.260 1.060 -3.982 1.00 0.00 N ATOM 581 CA ILE A 36 -5.226 2.061 -3.751 1.00 0.00 C ATOM 582 C ILE A 36 -4.496 2.406 -5.044 1.00 0.00 C ATOM 583 O ILE A 36 -3.673 1.630 -5.531 1.00 0.00 O ATOM 584 CB ILE A 36 -4.200 1.580 -2.708 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.891 1.302 -1.372 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.096 2.612 -2.536 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.951 0.797 -0.299 1.00 0.00 C ATOM 0 H ILE A 36 -6.055 0.408 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.728 2.951 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.750 0.652 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.370 2.217 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.681 0.567 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.379 2.258 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.589 2.764 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.528 3.555 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.509 0.621 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.491 -0.135 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.175 1.540 -0.116 1.00 0.00 H new ATOM 599 N SER A 37 -4.802 3.576 -5.596 1.00 0.00 N ATOM 600 CA SER A 37 -4.176 4.024 -6.835 1.00 0.00 C ATOM 601 C SER A 37 -3.202 5.167 -6.568 1.00 0.00 C ATOM 602 O SER A 37 -3.342 5.903 -5.591 1.00 0.00 O ATOM 603 CB SER A 37 -5.242 4.471 -7.837 1.00 0.00 C ATOM 604 OG SER A 37 -6.184 3.438 -8.074 1.00 0.00 O ATOM 0 H SER A 37 -5.479 4.231 -5.205 1.00 0.00 H new ATOM 0 HA SER A 37 -3.620 3.186 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.755 5.355 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.767 4.756 -8.775 1.00 0.00 H new ATOM 0 HG SER A 37 -6.081 3.105 -8.990 1.00 0.00 H new ATOM 610 N TYR A 38 -2.214 5.310 -7.445 1.00 0.00 N ATOM 611 CA TYR A 38 -1.214 6.362 -7.305 1.00 0.00 C ATOM 612 C TYR A 38 -1.037 7.124 -8.614 1.00 0.00 C ATOM 613 O TYR A 38 -0.816 6.527 -9.668 1.00 0.00 O ATOM 614 CB TYR A 38 0.125 5.766 -6.864 1.00 0.00 C ATOM 615 CG TYR A 38 0.572 4.594 -7.706 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.010 3.335 -7.535 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.557 4.745 -8.675 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.417 2.260 -8.302 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.969 3.676 -9.448 1.00 0.00 C ATOM 620 CZ TYR A 38 1.397 2.436 -9.257 1.00 0.00 C ATOM 621 OH TYR A 38 1.803 1.369 -10.024 1.00 0.00 O ATOM 0 H TYR A 38 -2.084 4.711 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.563 7.060 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.889 6.542 -6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.047 5.447 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.759 3.194 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.008 5.714 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.029 1.288 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.735 3.811 -10.198 1.00 0.00 H new ATOM 0 HH TYR A 38 2.499 1.661 -10.649 1.00 0.00 H new ATOM 631 N TYR A 39 -1.136 8.447 -8.539 1.00 0.00 N ATOM 632 CA TYR A 39 -0.989 9.292 -9.718 1.00 0.00 C ATOM 633 C TYR A 39 0.301 10.103 -9.650 1.00 0.00 C ATOM 634 O TYR A 39 0.537 10.836 -8.689 1.00 0.00 O ATOM 635 CB TYR A 39 -2.189 10.232 -9.850 1.00 0.00 C ATOM 636 CG TYR A 39 -3.522 9.519 -9.820 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.054 9.049 -8.626 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.250 9.316 -10.986 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.271 8.397 -8.594 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.469 8.666 -10.963 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.975 8.208 -9.765 1.00 0.00 C ATOM 642 OH TYR A 39 -7.188 7.559 -9.738 1.00 0.00 O ATOM 0 H TYR A 39 -1.317 8.957 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.944 8.645 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.159 10.962 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.104 10.787 -10.784 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.506 9.196 -7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.856 9.672 -11.926 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.669 8.037 -7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.022 8.517 -11.878 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.553 7.510 -10.646 1.00 0.00 H new ATOM 652 N VAL A 40 1.134 9.967 -10.677 1.00 0.00 N ATOM 653 CA VAL A 40 2.400 10.687 -10.736 1.00 0.00 C ATOM 654 C VAL A 40 2.283 12.059 -10.081 1.00 0.00 C ATOM 655 O VAL A 40 3.237 12.556 -9.484 1.00 0.00 O ATOM 656 CB VAL A 40 2.878 10.864 -12.190 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.677 9.650 -12.640 1.00 0.00 C ATOM 658 CG2 VAL A 40 1.694 11.106 -13.114 1.00 0.00 C ATOM 0 H VAL A 40 0.954 9.364 -11.480 1.00 0.00 H new ATOM 0 HA VAL A 40 3.130 10.088 -10.191 1.00 0.00 H new ATOM 0 HB VAL A 40 3.530 11.736 -12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.007 9.792 -13.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.547 9.527 -11.994 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.051 8.760 -12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.050 11.229 -14.137 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.015 10.255 -13.066 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.168 12.008 -12.802 1.00 0.00 H new ATOM 668 N SER A 41 1.105 12.665 -10.197 1.00 0.00 N ATOM 669 CA SER A 41 0.864 13.982 -9.619 1.00 0.00 C ATOM 670 C SER A 41 -0.347 13.954 -8.691 1.00 0.00 C ATOM 671 O SER A 41 -0.924 12.897 -8.439 1.00 0.00 O ATOM 672 CB SER A 41 0.649 15.016 -10.725 1.00 0.00 C ATOM 673 OG SER A 41 0.784 16.335 -10.223 1.00 0.00 O ATOM 0 H SER A 41 0.304 12.265 -10.685 1.00 0.00 H new ATOM 0 HA SER A 41 1.741 14.262 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.371 14.852 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.343 14.888 -11.159 1.00 0.00 H new ATOM 0 HG SER A 41 0.029 16.880 -10.528 1.00 0.00 H new ATOM 679 N GLU A 42 -0.725 15.124 -8.185 1.00 0.00 N ATOM 680 CA GLU A 42 -1.866 15.233 -7.285 1.00 0.00 C ATOM 681 C GLU A 42 -3.075 15.821 -8.007 1.00 0.00 C ATOM 682 O GLU A 42 -3.922 16.472 -7.394 1.00 0.00 O ATOM 683 CB GLU A 42 -1.509 16.101 -6.076 1.00 0.00 C ATOM 684 CG GLU A 42 -1.495 17.590 -6.379 1.00 0.00 C ATOM 685 CD GLU A 42 -0.810 18.399 -5.294 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.329 18.430 -4.159 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.246 19.001 -5.582 1.00 0.00 O ATOM 0 H GLU A 42 -0.258 16.009 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.122 14.231 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.225 15.908 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.528 15.805 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.987 17.759 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.520 17.943 -6.498 1.00 0.00 H new ATOM 694 N ASP A 43 -3.148 15.587 -9.313 1.00 0.00 N ATOM 695 CA ASP A 43 -4.253 16.092 -10.120 1.00 0.00 C ATOM 696 C ASP A 43 -5.269 14.990 -10.401 1.00 0.00 C ATOM 697 O ASP A 43 -6.368 15.254 -10.889 1.00 0.00 O ATOM 698 CB ASP A 43 -3.729 16.668 -11.436 1.00 0.00 C ATOM 699 CG ASP A 43 -2.924 17.937 -11.234 1.00 0.00 C ATOM 700 OD1 ASP A 43 -3.536 18.989 -10.955 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.683 17.877 -11.353 1.00 0.00 O ATOM 0 H ASP A 43 -2.455 15.051 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.749 16.883 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.108 15.923 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.569 16.876 -12.098 1.00 0.00 H new ATOM 706 N LEU A 44 -4.894 13.754 -10.091 1.00 0.00 N ATOM 707 CA LEU A 44 -5.772 12.610 -10.311 1.00 0.00 C ATOM 708 C LEU A 44 -6.130 12.474 -11.787 1.00 0.00 C ATOM 709 O LEU A 44 -7.232 12.049 -12.134 1.00 0.00 O ATOM 710 CB LEU A 44 -7.046 12.752 -9.476 1.00 0.00 C ATOM 711 CG LEU A 44 -6.848 13.119 -8.005 1.00 0.00 C ATOM 712 CD1 LEU A 44 -8.190 13.250 -7.302 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.978 12.082 -7.309 1.00 0.00 C ATOM 0 H LEU A 44 -3.988 13.518 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.240 11.710 -10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.676 13.512 -9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.595 11.811 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.340 14.082 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.029 13.512 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.779 14.030 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.726 12.302 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.848 12.359 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.458 11.105 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.004 12.038 -7.797 1.00 0.00 H new ATOM 725 N LYS A 45 -5.190 12.836 -12.654 1.00 0.00 N ATOM 726 CA LYS A 45 -5.404 12.752 -14.094 1.00 0.00 C ATOM 727 C LYS A 45 -4.565 11.633 -14.704 1.00 0.00 C ATOM 728 O LYS A 45 -5.039 10.887 -15.561 1.00 0.00 O ATOM 729 CB LYS A 45 -5.056 14.085 -14.760 1.00 0.00 C ATOM 730 CG LYS A 45 -5.842 15.263 -14.211 1.00 0.00 C ATOM 731 CD LYS A 45 -7.146 15.464 -14.966 1.00 0.00 C ATOM 732 CE LYS A 45 -7.575 16.923 -14.959 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.678 17.769 -15.794 1.00 0.00 N ATOM 0 H LYS A 45 -4.272 13.190 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.457 12.529 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.991 14.278 -14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.239 14.005 -15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.054 15.100 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.238 16.168 -14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.028 15.123 -15.995 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.927 14.852 -14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.597 17.003 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.577 17.296 -13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.179 18.637 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.829 18.019 -15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.399 17.243 -16.646 1.00 0.00 H new ATOM 747 N ASP A 46 -3.320 11.522 -14.255 1.00 0.00 N ATOM 748 CA ASP A 46 -2.417 10.492 -14.755 1.00 0.00 C ATOM 749 C ASP A 46 -2.256 9.368 -13.735 1.00 0.00 C ATOM 750 O ASP A 46 -1.606 9.540 -12.704 1.00 0.00 O ATOM 751 CB ASP A 46 -1.052 11.097 -15.085 1.00 0.00 C ATOM 752 CG ASP A 46 -0.331 10.336 -16.181 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.993 9.938 -17.162 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.896 10.139 -16.057 1.00 0.00 O ATOM 0 H ASP A 46 -2.913 12.132 -13.546 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.850 10.074 -15.664 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.182 12.135 -15.392 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.435 11.106 -14.187 1.00 0.00 H new ATOM 759 N LYS A 47 -2.853 8.218 -14.030 1.00 0.00 N ATOM 760 CA LYS A 47 -2.776 7.066 -13.140 1.00 0.00 C ATOM 761 C LYS A 47 -1.736 6.065 -13.634 1.00 0.00 C ATOM 762 O LYS A 47 -1.562 5.879 -14.838 1.00 0.00 O ATOM 763 CB LYS A 47 -4.143 6.386 -13.034 1.00 0.00 C ATOM 764 CG LYS A 47 -4.200 5.296 -11.978 1.00 0.00 C ATOM 765 CD LYS A 47 -5.612 4.766 -11.799 1.00 0.00 C ATOM 766 CE LYS A 47 -6.051 3.932 -12.994 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.531 3.780 -13.051 1.00 0.00 N ATOM 0 H LYS A 47 -3.396 8.059 -14.879 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.475 7.420 -12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.898 7.139 -12.808 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.402 5.956 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.537 4.479 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.835 5.688 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.663 4.161 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.300 5.600 -11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.698 4.401 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.587 2.947 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.789 3.206 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.865 3.310 -12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.974 4.718 -13.129 1.00 0.00 H new ATOM 781 N LYS A 48 -1.049 5.422 -12.696 1.00 0.00 N ATOM 782 CA LYS A 48 -0.028 4.438 -13.035 1.00 0.00 C ATOM 783 C LYS A 48 -0.564 3.020 -12.873 1.00 0.00 C ATOM 784 O LYS A 48 -0.366 2.168 -13.738 1.00 0.00 O ATOM 785 CB LYS A 48 1.208 4.631 -12.153 1.00 0.00 C ATOM 786 CG LYS A 48 2.146 5.718 -12.650 1.00 0.00 C ATOM 787 CD LYS A 48 2.881 5.289 -13.908 1.00 0.00 C ATOM 788 CE LYS A 48 3.639 6.450 -14.534 1.00 0.00 C ATOM 789 NZ LYS A 48 4.568 5.993 -15.605 1.00 0.00 N ATOM 0 H LYS A 48 -1.181 5.565 -11.695 1.00 0.00 H new ATOM 0 HA LYS A 48 0.251 4.585 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.887 4.875 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.754 3.689 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.578 6.626 -12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.868 5.961 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.577 4.486 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.168 4.888 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.929 7.165 -14.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.204 6.973 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.065 6.813 -16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.261 5.330 -15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.027 5.516 -16.354 1.00 0.00 H new ATOM 803 N GLY A 49 -1.247 2.773 -11.759 1.00 0.00 N ATOM 804 CA GLY A 49 -1.803 1.457 -11.505 1.00 0.00 C ATOM 805 C GLY A 49 -2.737 1.443 -10.312 1.00 0.00 C ATOM 806 O GLY A 49 -2.971 2.476 -9.685 1.00 0.00 O ATOM 0 H GLY A 49 -1.425 3.461 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.343 1.117 -12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.991 0.750 -11.335 1.00 0.00 H new ATOM 810 N ASP A 50 -3.275 0.269 -9.998 1.00 0.00 N ATOM 811 CA ASP A 50 -4.191 0.125 -8.872 1.00 0.00 C ATOM 812 C ASP A 50 -3.865 -1.128 -8.064 1.00 0.00 C ATOM 813 O ASP A 50 -3.659 -2.204 -8.626 1.00 0.00 O ATOM 814 CB ASP A 50 -5.637 0.066 -9.367 1.00 0.00 C ATOM 815 CG ASP A 50 -5.867 0.937 -10.586 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.421 0.548 -11.686 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.492 2.009 -10.441 1.00 0.00 O ATOM 0 H ASP A 50 -3.093 -0.596 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.072 0.994 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.894 -0.966 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.305 0.383 -8.566 1.00 0.00 H new ATOM 822 N ILE A 51 -3.820 -0.980 -6.745 1.00 0.00 N ATOM 823 CA ILE A 51 -3.519 -2.099 -5.861 1.00 0.00 C ATOM 824 C ILE A 51 -4.796 -2.714 -5.298 1.00 0.00 C ATOM 825 O ILE A 51 -5.359 -2.218 -4.321 1.00 0.00 O ATOM 826 CB ILE A 51 -2.614 -1.666 -4.692 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.323 -1.040 -5.224 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.302 -2.855 -3.796 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.734 0.005 -4.302 1.00 0.00 C ATOM 0 H ILE A 51 -3.988 -0.096 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.994 -2.842 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.142 -0.918 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.587 -1.827 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.522 -0.586 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.662 -2.533 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.230 -3.262 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.790 -3.623 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.179 0.406 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.453 0.812 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.503 -0.449 -3.338 1.00 0.00 H new ATOM 841 N LEU A 52 -5.248 -3.797 -5.920 1.00 0.00 N ATOM 842 CA LEU A 52 -6.459 -4.482 -5.481 1.00 0.00 C ATOM 843 C LEU A 52 -6.366 -4.861 -4.007 1.00 0.00 C ATOM 844 O LEU A 52 -5.620 -5.768 -3.633 1.00 0.00 O ATOM 845 CB LEU A 52 -6.695 -5.734 -6.327 1.00 0.00 C ATOM 846 CG LEU A 52 -6.658 -5.537 -7.843 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.665 -6.880 -8.557 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.833 -4.683 -8.299 1.00 0.00 C ATOM 0 H LEU A 52 -4.794 -4.220 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.300 -3.800 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.943 -6.476 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.665 -6.152 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.735 -5.017 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.638 -6.719 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.791 -7.457 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.570 -7.427 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.790 -4.553 -9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.767 -5.176 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.784 -3.708 -7.814 1.00 0.00 H new ATOM 860 N LEU A 53 -7.129 -4.163 -3.173 1.00 0.00 N ATOM 861 CA LEU A 53 -7.134 -4.427 -1.738 1.00 0.00 C ATOM 862 C LEU A 53 -7.928 -5.690 -1.420 1.00 0.00 C ATOM 863 O LEU A 53 -8.874 -6.036 -2.128 1.00 0.00 O ATOM 864 CB LEU A 53 -7.725 -3.236 -0.982 1.00 0.00 C ATOM 865 CG LEU A 53 -6.798 -2.035 -0.791 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.541 -0.888 -0.123 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.576 -2.430 0.025 1.00 0.00 C ATOM 0 H LEU A 53 -7.752 -3.410 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.103 -4.577 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.616 -2.901 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.049 -3.579 0.000 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.462 -1.699 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.865 -0.042 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.384 -0.588 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.907 -1.210 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.927 -1.563 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.893 -2.792 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.031 -3.219 -0.494 1.00 0.00 H new ATOM 879 N ASP A 54 -7.538 -6.374 -0.350 1.00 0.00 N ATOM 880 CA ASP A 54 -8.216 -7.597 0.064 1.00 0.00 C ATOM 881 C ASP A 54 -7.693 -8.078 1.414 1.00 0.00 C ATOM 882 O ASP A 54 -6.527 -7.869 1.748 1.00 0.00 O ATOM 883 CB ASP A 54 -8.027 -8.691 -0.988 1.00 0.00 C ATOM 884 CG ASP A 54 -6.585 -8.820 -1.437 1.00 0.00 C ATOM 885 OD1 ASP A 54 -5.751 -9.280 -0.630 1.00 0.00 O ATOM 886 OD2 ASP A 54 -6.290 -8.460 -2.596 1.00 0.00 O ATOM 0 H ASP A 54 -6.756 -6.103 0.246 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.279 -7.378 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.364 -9.644 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.655 -8.473 -1.852 1.00 0.00 H new ATOM 891 N GLU A 55 -8.564 -8.720 2.186 1.00 0.00 N ATOM 892 CA GLU A 55 -8.189 -9.228 3.501 1.00 0.00 C ATOM 893 C GLU A 55 -6.734 -9.687 3.512 1.00 0.00 C ATOM 894 O GLU A 55 -5.952 -9.285 4.373 1.00 0.00 O ATOM 895 CB GLU A 55 -9.105 -10.385 3.905 1.00 0.00 C ATOM 896 CG GLU A 55 -9.117 -11.529 2.905 1.00 0.00 C ATOM 897 CD GLU A 55 -10.301 -12.457 3.095 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.188 -13.404 3.901 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.340 -12.237 2.438 1.00 0.00 O ATOM 0 H GLU A 55 -9.533 -8.901 1.924 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.301 -8.418 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.789 -10.766 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.121 -10.008 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.137 -11.123 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.193 -12.100 3.001 1.00 0.00 H new ATOM 906 N ASN A 56 -6.380 -10.533 2.551 1.00 0.00 N ATOM 907 CA ASN A 56 -5.019 -11.049 2.450 1.00 0.00 C ATOM 908 C ASN A 56 -4.001 -9.915 2.517 1.00 0.00 C ATOM 909 O ASN A 56 -3.080 -9.940 3.334 1.00 0.00 O ATOM 910 CB ASN A 56 -4.843 -11.832 1.147 1.00 0.00 C ATOM 911 CG ASN A 56 -6.038 -12.713 0.836 1.00 0.00 C ATOM 912 OD1 ASN A 56 -7.040 -12.250 0.292 1.00 0.00 O ATOM 913 ND2 ASN A 56 -5.936 -13.991 1.182 1.00 0.00 N ATOM 0 H ASN A 56 -7.016 -10.876 1.831 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.847 -11.718 3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.686 -11.134 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.948 -12.450 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.708 -14.632 0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.086 -14.331 1.631 1.00 0.00 H new ATOM 920 N CYS A 57 -4.173 -8.922 1.651 1.00 0.00 N ATOM 921 CA CYS A 57 -3.270 -7.778 1.611 1.00 0.00 C ATOM 922 C CYS A 57 -3.165 -7.119 2.983 1.00 0.00 C ATOM 923 O CYS A 57 -4.161 -6.980 3.694 1.00 0.00 O ATOM 924 CB CYS A 57 -3.753 -6.757 0.578 1.00 0.00 C ATOM 925 SG CYS A 57 -3.480 -7.263 -1.151 1.00 0.00 S ATOM 0 H CYS A 57 -4.929 -8.886 0.968 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.282 -8.137 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.818 -6.579 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.243 -5.810 0.753 1.00 0.00 H new ATOM 930 N CYS A 58 -1.953 -6.715 3.348 1.00 0.00 N ATOM 931 CA CYS A 58 -1.717 -6.071 4.635 1.00 0.00 C ATOM 932 C CYS A 58 -0.493 -5.163 4.572 1.00 0.00 C ATOM 933 O CYS A 58 0.262 -5.187 3.600 1.00 0.00 O ATOM 934 CB CYS A 58 -1.531 -7.123 5.729 1.00 0.00 C ATOM 935 SG CYS A 58 -1.999 -6.560 7.382 1.00 0.00 S ATOM 0 H CYS A 58 -1.119 -6.822 2.771 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.588 -5.460 4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.122 -8.003 5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.486 -7.434 5.745 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.808 -7.520 8.238 1.00 0.00 H new ATOM 941 N VAL A 59 -0.303 -4.361 5.616 1.00 0.00 N ATOM 942 CA VAL A 59 0.828 -3.444 5.679 1.00 0.00 C ATOM 943 C VAL A 59 1.704 -3.735 6.893 1.00 0.00 C ATOM 944 O VAL A 59 1.218 -4.204 7.922 1.00 0.00 O ATOM 945 CB VAL A 59 0.360 -1.978 5.737 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.531 -1.749 6.948 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.556 -1.038 5.760 1.00 0.00 C ATOM 0 H VAL A 59 -0.918 -4.328 6.429 1.00 0.00 H new ATOM 0 HA VAL A 59 1.410 -3.596 4.770 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.224 -1.766 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.852 -0.708 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.405 -2.397 6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.025 -1.979 7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.207 -0.006 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.168 -1.249 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.151 -1.184 4.859 1.00 0.00 H new ATOM 957 N GLU A 60 2.996 -3.453 6.765 1.00 0.00 N ATOM 958 CA GLU A 60 3.939 -3.685 7.853 1.00 0.00 C ATOM 959 C GLU A 60 4.849 -2.475 8.052 1.00 0.00 C ATOM 960 O GLU A 60 4.964 -1.621 7.174 1.00 0.00 O ATOM 961 CB GLU A 60 4.783 -4.930 7.570 1.00 0.00 C ATOM 962 CG GLU A 60 3.965 -6.205 7.455 1.00 0.00 C ATOM 963 CD GLU A 60 3.626 -6.804 8.806 1.00 0.00 C ATOM 964 OE1 GLU A 60 4.543 -6.938 9.642 1.00 0.00 O ATOM 965 OE2 GLU A 60 2.443 -7.139 9.026 1.00 0.00 O ATOM 0 H GLU A 60 3.414 -3.064 5.920 1.00 0.00 H new ATOM 0 HA GLU A 60 3.367 -3.843 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.338 -4.780 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.517 -5.050 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.043 -5.993 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.519 -6.936 6.866 1.00 0.00 H new ATOM 972 N SER A 61 5.492 -2.411 9.213 1.00 0.00 N ATOM 973 CA SER A 61 6.388 -1.305 9.531 1.00 0.00 C ATOM 974 C SER A 61 7.846 -1.728 9.385 1.00 0.00 C ATOM 975 O SER A 61 8.342 -2.563 10.143 1.00 0.00 O ATOM 976 CB SER A 61 6.130 -0.804 10.953 1.00 0.00 C ATOM 977 OG SER A 61 4.815 -0.292 11.083 1.00 0.00 O ATOM 0 H SER A 61 5.409 -3.112 9.949 1.00 0.00 H new ATOM 0 HA SER A 61 6.190 -0.496 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.278 -1.619 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.852 -0.028 11.205 1.00 0.00 H new ATOM 0 HG SER A 61 4.720 0.149 11.953 1.00 0.00 H new ATOM 983 N LEU A 62 8.529 -1.147 8.405 1.00 0.00 N ATOM 984 CA LEU A 62 9.932 -1.462 8.157 1.00 0.00 C ATOM 985 C LEU A 62 10.846 -0.577 8.999 1.00 0.00 C ATOM 986 O LEU A 62 10.518 0.565 9.322 1.00 0.00 O ATOM 987 CB LEU A 62 10.260 -1.289 6.673 1.00 0.00 C ATOM 988 CG LEU A 62 9.371 -2.057 5.695 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.510 -1.492 4.290 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.715 -3.540 5.713 1.00 0.00 C ATOM 0 H LEU A 62 8.134 -0.455 7.769 1.00 0.00 H new ATOM 0 HA LEU A 62 10.101 -2.501 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.201 -0.228 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.293 -1.596 6.512 1.00 0.00 H new ATOM 0 HG LEU A 62 8.334 -1.941 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.870 -2.051 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.213 -0.443 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.547 -1.576 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.072 -4.071 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.757 -3.675 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.562 -3.937 6.717 1.00 0.00 H new ATOM 1002 N PRO A 63 12.021 -1.113 9.360 1.00 0.00 N ATOM 1003 CA PRO A 63 13.007 -0.388 10.166 1.00 0.00 C ATOM 1004 C PRO A 63 13.656 0.757 9.396 1.00 0.00 C ATOM 1005 O PRO A 63 13.203 1.123 8.311 1.00 0.00 O ATOM 1006 CB PRO A 63 14.046 -1.460 10.505 1.00 0.00 C ATOM 1007 CG PRO A 63 13.926 -2.463 9.409 1.00 0.00 C ATOM 1008 CD PRO A 63 12.477 -2.469 9.010 1.00 0.00 C ATOM 0 HA PRO A 63 12.554 0.078 11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.050 -1.039 10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.847 -1.910 11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.562 -2.197 8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.242 -3.450 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.354 -2.672 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.915 -3.233 9.547 1.00 0.00 H new ATOM 1016 N ASP A 64 14.718 1.319 9.963 1.00 0.00 N ATOM 1017 CA ASP A 64 15.430 2.422 9.329 1.00 0.00 C ATOM 1018 C ASP A 64 16.438 1.903 8.309 1.00 0.00 C ATOM 1019 O ASP A 64 17.261 1.040 8.616 1.00 0.00 O ATOM 1020 CB ASP A 64 16.142 3.271 10.383 1.00 0.00 C ATOM 1021 CG ASP A 64 16.858 2.426 11.419 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.170 1.812 12.262 1.00 0.00 O ATOM 1023 OD2 ASP A 64 18.105 2.378 11.386 1.00 0.00 O ATOM 0 H ASP A 64 15.105 1.028 10.861 1.00 0.00 H new ATOM 0 HA ASP A 64 14.700 3.042 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.862 3.926 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.415 3.912 10.881 1.00 0.00 H new ATOM 1028 N LYS A 65 16.369 2.434 7.093 1.00 0.00 N ATOM 1029 CA LYS A 65 17.275 2.025 6.026 1.00 0.00 C ATOM 1030 C LYS A 65 17.327 3.078 4.924 1.00 0.00 C ATOM 1031 O LYS A 65 16.415 3.893 4.787 1.00 0.00 O ATOM 1032 CB LYS A 65 16.835 0.681 5.442 1.00 0.00 C ATOM 1033 CG LYS A 65 15.856 0.811 4.288 1.00 0.00 C ATOM 1034 CD LYS A 65 15.376 -0.549 3.808 1.00 0.00 C ATOM 1035 CE LYS A 65 14.168 -1.025 4.601 1.00 0.00 C ATOM 1036 NZ LYS A 65 14.567 -1.803 5.806 1.00 0.00 N ATOM 0 H LYS A 65 15.694 3.149 6.822 1.00 0.00 H new ATOM 0 HA LYS A 65 18.273 1.919 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.716 0.137 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.377 0.084 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.001 1.410 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.332 1.342 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.119 -0.493 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.183 -1.275 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.571 -0.165 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.535 -1.642 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.840 -2.517 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.476 -2.276 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.664 -1.160 6.618 1.00 0.00 H new ATOM 1050 N ASP A 66 18.399 3.054 4.139 1.00 0.00 N ATOM 1051 CA ASP A 66 18.569 4.005 3.047 1.00 0.00 C ATOM 1052 C ASP A 66 18.342 5.434 3.530 1.00 0.00 C ATOM 1053 O ASP A 66 17.718 6.240 2.843 1.00 0.00 O ATOM 1054 CB ASP A 66 17.605 3.680 1.905 1.00 0.00 C ATOM 1055 CG ASP A 66 18.205 2.721 0.896 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.229 3.076 0.277 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.649 1.615 0.724 1.00 0.00 O ATOM 0 H ASP A 66 19.163 2.386 4.239 1.00 0.00 H new ATOM 0 HA ASP A 66 19.593 3.923 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.693 3.247 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.320 4.603 1.400 1.00 0.00 H new ATOM 1062 N GLY A 67 18.853 5.739 4.719 1.00 0.00 N ATOM 1063 CA GLY A 67 18.694 7.071 5.275 1.00 0.00 C ATOM 1064 C GLY A 67 17.244 7.416 5.548 1.00 0.00 C ATOM 1065 O GLY A 67 16.741 8.437 5.079 1.00 0.00 O ATOM 0 H GLY A 67 19.374 5.088 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.262 7.145 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.114 7.802 4.584 1.00 0.00 H new ATOM 1069 N LYS A 68 16.567 6.561 6.308 1.00 0.00 N ATOM 1070 CA LYS A 68 15.165 6.779 6.644 1.00 0.00 C ATOM 1071 C LYS A 68 14.916 6.532 8.128 1.00 0.00 C ATOM 1072 O LYS A 68 15.782 6.017 8.837 1.00 0.00 O ATOM 1073 CB LYS A 68 14.270 5.863 5.806 1.00 0.00 C ATOM 1074 CG LYS A 68 14.303 6.174 4.320 1.00 0.00 C ATOM 1075 CD LYS A 68 13.489 7.414 3.992 1.00 0.00 C ATOM 1076 CE LYS A 68 13.404 7.644 2.491 1.00 0.00 C ATOM 1077 NZ LYS A 68 12.688 6.536 1.800 1.00 0.00 N ATOM 0 H LYS A 68 16.967 5.710 6.703 1.00 0.00 H new ATOM 0 HA LYS A 68 14.921 7.818 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.578 4.829 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.244 5.946 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.335 6.320 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.914 5.323 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.485 7.310 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.940 8.284 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.890 8.585 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.409 7.739 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.457 6.825 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.296 5.692 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.811 6.316 2.314 1.00 0.00 H new ATOM 1091 N LYS A 69 13.728 6.901 8.594 1.00 0.00 N ATOM 1092 CA LYS A 69 13.363 6.717 9.993 1.00 0.00 C ATOM 1093 C LYS A 69 11.987 6.069 10.116 1.00 0.00 C ATOM 1094 O LYS A 69 11.777 5.190 10.953 1.00 0.00 O ATOM 1095 CB LYS A 69 13.372 8.061 10.725 1.00 0.00 C ATOM 1096 CG LYS A 69 12.738 9.190 9.932 1.00 0.00 C ATOM 1097 CD LYS A 69 13.706 9.768 8.914 1.00 0.00 C ATOM 1098 CE LYS A 69 13.214 11.101 8.372 1.00 0.00 C ATOM 1099 NZ LYS A 69 14.129 11.648 7.331 1.00 0.00 N ATOM 0 H LYS A 69 13.001 7.330 8.022 1.00 0.00 H new ATOM 0 HA LYS A 69 14.099 6.056 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.844 7.953 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.402 8.329 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.848 8.822 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.412 9.976 10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.685 9.900 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.834 9.064 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.217 10.976 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.126 11.816 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.759 12.557 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.074 11.792 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.193 10.978 6.538 1.00 0.00 H new ATOM 1113 N CYS A 70 11.055 6.507 9.278 1.00 0.00 N ATOM 1114 CA CYS A 70 9.699 5.969 9.293 1.00 0.00 C ATOM 1115 C CYS A 70 9.333 5.381 7.934 1.00 0.00 C ATOM 1116 O CYS A 70 8.831 6.085 7.056 1.00 0.00 O ATOM 1117 CB CYS A 70 8.699 7.060 9.676 1.00 0.00 C ATOM 1118 SG CYS A 70 8.845 7.626 11.388 1.00 0.00 S ATOM 0 H CYS A 70 11.213 7.233 8.579 1.00 0.00 H new ATOM 0 HA CYS A 70 9.659 5.173 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.834 7.912 9.010 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.688 6.685 9.513 1.00 0.00 H new ATOM 0 HG CYS A 70 8.691 8.916 11.433 1.00 0.00 H new ATOM 1124 N LEU A 71 9.588 4.089 7.766 1.00 0.00 N ATOM 1125 CA LEU A 71 9.287 3.406 6.512 1.00 0.00 C ATOM 1126 C LEU A 71 8.178 2.377 6.706 1.00 0.00 C ATOM 1127 O LEU A 71 7.991 1.848 7.802 1.00 0.00 O ATOM 1128 CB LEU A 71 10.542 2.723 5.966 1.00 0.00 C ATOM 1129 CG LEU A 71 11.542 3.630 5.249 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.913 2.975 5.194 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.051 3.963 3.848 1.00 0.00 C ATOM 0 H LEU A 71 10.003 3.492 8.482 1.00 0.00 H new ATOM 0 HA LEU A 71 8.945 4.151 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.055 2.234 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.233 1.939 5.275 1.00 0.00 H new ATOM 0 HG LEU A 71 11.629 4.559 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.611 3.635 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.268 2.789 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.843 2.030 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.775 4.609 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.934 3.043 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.091 4.475 3.911 1.00 0.00 H new ATOM 1143 N PHE A 72 7.445 2.096 5.633 1.00 0.00 N ATOM 1144 CA PHE A 72 6.354 1.129 5.685 1.00 0.00 C ATOM 1145 C PHE A 72 6.045 0.584 4.294 1.00 0.00 C ATOM 1146 O PHE A 72 5.947 1.339 3.326 1.00 0.00 O ATOM 1147 CB PHE A 72 5.102 1.772 6.283 1.00 0.00 C ATOM 1148 CG PHE A 72 4.386 2.689 5.333 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.419 2.197 4.471 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.681 4.042 5.301 1.00 0.00 C ATOM 1151 CE1 PHE A 72 2.759 3.038 3.595 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.024 4.888 4.428 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.062 4.385 3.573 1.00 0.00 C ATOM 0 H PHE A 72 7.587 2.524 4.718 1.00 0.00 H new ATOM 0 HA PHE A 72 6.666 0.300 6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.417 0.986 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.382 2.333 7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.178 1.144 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.433 4.440 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.007 2.642 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.262 5.941 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.548 5.044 2.889 1.00 0.00 H new ATOM 1163 N LEU A 73 5.892 -0.733 4.201 1.00 0.00 N ATOM 1164 CA LEU A 73 5.594 -1.381 2.929 1.00 0.00 C ATOM 1165 C LEU A 73 4.341 -2.244 3.037 1.00 0.00 C ATOM 1166 O LEU A 73 4.037 -2.785 4.101 1.00 0.00 O ATOM 1167 CB LEU A 73 6.779 -2.237 2.480 1.00 0.00 C ATOM 1168 CG LEU A 73 6.519 -3.182 1.306 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.801 -3.433 0.528 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.927 -4.495 1.799 1.00 0.00 C ATOM 0 H LEU A 73 5.970 -1.373 4.992 1.00 0.00 H new ATOM 0 HA LEU A 73 5.414 -0.603 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.600 -1.572 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.115 -2.830 3.330 1.00 0.00 H new ATOM 0 HG LEU A 73 5.799 -2.710 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.596 -4.108 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.184 -2.488 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.544 -3.884 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.748 -5.155 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.623 -4.972 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.985 -4.300 2.311 1.00 0.00 H new ATOM 1182 N VAL A 74 3.617 -2.369 1.930 1.00 0.00 N ATOM 1183 CA VAL A 74 2.398 -3.169 1.899 1.00 0.00 C ATOM 1184 C VAL A 74 2.628 -4.493 1.179 1.00 0.00 C ATOM 1185 O VAL A 74 3.140 -4.524 0.060 1.00 0.00 O ATOM 1186 CB VAL A 74 1.248 -2.414 1.207 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.071 -3.345 0.958 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.823 -1.214 2.039 1.00 0.00 C ATOM 0 H VAL A 74 3.853 -1.926 1.042 1.00 0.00 H new ATOM 0 HA VAL A 74 2.122 -3.365 2.935 1.00 0.00 H new ATOM 0 HB VAL A 74 1.603 -2.051 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.732 -2.794 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.388 -4.169 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.288 -3.740 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.009 -0.692 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.486 -1.552 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.669 -0.537 2.160 1.00 0.00 H new ATOM 1198 N LYS A 75 2.246 -5.588 1.829 1.00 0.00 N ATOM 1199 CA LYS A 75 2.407 -6.917 1.251 1.00 0.00 C ATOM 1200 C LYS A 75 1.068 -7.470 0.777 1.00 0.00 C ATOM 1201 O LYS A 75 0.123 -7.593 1.557 1.00 0.00 O ATOM 1202 CB LYS A 75 3.031 -7.868 2.275 1.00 0.00 C ATOM 1203 CG LYS A 75 4.504 -7.604 2.532 1.00 0.00 C ATOM 1204 CD LYS A 75 4.937 -8.132 3.890 1.00 0.00 C ATOM 1205 CE LYS A 75 5.260 -9.617 3.833 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.136 -10.263 5.170 1.00 0.00 N ATOM 0 H LYS A 75 1.823 -5.581 2.757 1.00 0.00 H new ATOM 0 HA LYS A 75 3.070 -6.834 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.486 -7.784 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.910 -8.894 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.101 -8.075 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.697 -6.533 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.812 -7.581 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.145 -7.958 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.589 -10.108 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.273 -9.754 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.364 -11.274 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.795 -9.812 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.162 -10.155 5.519 1.00 0.00 H new ATOM 1220 N CYS A 76 0.992 -7.805 -0.507 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.231 -8.347 -1.086 1.00 0.00 C ATOM 1222 C CYS A 76 -0.019 -9.782 -1.561 1.00 0.00 C ATOM 1223 O CYS A 76 1.089 -10.313 -1.490 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.698 -7.476 -2.253 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.832 -6.133 -1.772 1.00 0.00 S ATOM 0 H CYS A 76 1.764 -7.710 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.999 -8.348 -0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.175 -7.043 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.193 -8.109 -2.989 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.089 -10.403 -2.045 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.022 -11.776 -2.531 1.00 0.00 C ATOM 1232 C PHE A 77 0.363 -12.087 -3.093 1.00 0.00 C ATOM 1233 O PHE A 77 1.135 -12.834 -2.491 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.085 -12.012 -3.606 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.403 -12.474 -3.054 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.521 -13.719 -2.457 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.524 -11.664 -3.133 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.733 -14.146 -1.948 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.738 -12.086 -2.626 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.843 -13.329 -2.033 1.00 0.00 C ATOM 0 H PHE A 77 -2.013 -9.977 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.212 -12.442 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.238 -11.088 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.716 -12.754 -4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.656 -14.363 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.448 -10.691 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.812 -15.118 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.604 -11.444 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.791 -13.661 -1.637 1.00 0.00 H new ATOM 1250 N ASP A 78 0.669 -11.508 -4.249 1.00 0.00 N ATOM 1251 CA ASP A 78 1.960 -11.722 -4.892 1.00 0.00 C ATOM 1252 C ASP A 78 2.650 -10.392 -5.180 1.00 0.00 C ATOM 1253 O ASP A 78 3.877 -10.322 -5.266 1.00 0.00 O ATOM 1254 CB ASP A 78 1.783 -12.511 -6.190 1.00 0.00 C ATOM 1255 CG ASP A 78 1.101 -13.846 -5.968 1.00 0.00 C ATOM 1256 OD1 ASP A 78 1.326 -14.456 -4.902 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.343 -14.282 -6.860 1.00 0.00 O ATOM 0 H ASP A 78 0.041 -10.887 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 78 2.587 -12.296 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.197 -11.920 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.759 -12.676 -6.647 1.00 0.00 H new ATOM 1262 N LYS A 79 1.855 -9.339 -5.331 1.00 0.00 N ATOM 1263 CA LYS A 79 2.387 -8.011 -5.609 1.00 0.00 C ATOM 1264 C LYS A 79 2.793 -7.305 -4.319 1.00 0.00 C ATOM 1265 O LYS A 79 2.223 -7.555 -3.256 1.00 0.00 O ATOM 1266 CB LYS A 79 1.351 -7.170 -6.358 1.00 0.00 C ATOM 1267 CG LYS A 79 0.197 -6.707 -5.485 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.942 -6.144 -6.319 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.942 -7.225 -6.698 1.00 0.00 C ATOM 1270 NZ LYS A 79 -3.238 -6.647 -7.150 1.00 0.00 N ATOM 0 H LYS A 79 0.838 -9.380 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 79 3.273 -8.126 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.845 -6.297 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.955 -7.753 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.167 -7.543 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.549 -5.947 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.449 -5.357 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.541 -5.685 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.524 -7.844 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.114 -7.877 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.988 -7.362 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.474 -5.822 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.159 -6.353 -8.144 1.00 0.00 H new ATOM 1284 N THR A 80 3.781 -6.421 -4.418 1.00 0.00 N ATOM 1285 CA THR A 80 4.262 -5.680 -3.260 1.00 0.00 C ATOM 1286 C THR A 80 4.402 -4.195 -3.577 1.00 0.00 C ATOM 1287 O THR A 80 4.579 -3.811 -4.733 1.00 0.00 O ATOM 1288 CB THR A 80 5.620 -6.219 -2.772 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.547 -6.272 -3.863 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.465 -7.605 -2.164 1.00 0.00 C ATOM 0 H THR A 80 4.264 -6.201 -5.289 1.00 0.00 H new ATOM 0 HA THR A 80 3.522 -5.813 -2.471 1.00 0.00 H new ATOM 0 HB THR A 80 6.000 -5.544 -2.005 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.408 -6.614 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.437 -7.965 -1.827 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.782 -7.556 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.065 -8.288 -2.913 1.00 0.00 H new ATOM 1298 N PHE A 81 4.323 -3.364 -2.542 1.00 0.00 N ATOM 1299 CA PHE A 81 4.440 -1.921 -2.711 1.00 0.00 C ATOM 1300 C PHE A 81 5.145 -1.289 -1.514 1.00 0.00 C ATOM 1301 O PHE A 81 4.588 -1.218 -0.420 1.00 0.00 O ATOM 1302 CB PHE A 81 3.057 -1.293 -2.892 1.00 0.00 C ATOM 1303 CG PHE A 81 2.445 -1.568 -4.236 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.982 -2.835 -4.555 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.332 -0.560 -5.180 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.418 -3.091 -5.790 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.769 -0.811 -6.417 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.312 -2.078 -6.723 1.00 0.00 C ATOM 0 H PHE A 81 4.179 -3.666 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 81 5.036 -1.732 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.392 -1.669 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.135 -0.215 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.063 -3.631 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.688 0.433 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.060 -4.082 -6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.686 -0.017 -7.144 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.873 -2.276 -7.690 1.00 0.00 H new ATOM 1318 N GLU A 82 6.375 -0.833 -1.732 1.00 0.00 N ATOM 1319 CA GLU A 82 7.157 -0.209 -0.672 1.00 0.00 C ATOM 1320 C GLU A 82 6.997 1.309 -0.699 1.00 0.00 C ATOM 1321 O GLU A 82 7.326 1.960 -1.691 1.00 0.00 O ATOM 1322 CB GLU A 82 8.635 -0.580 -0.811 1.00 0.00 C ATOM 1323 CG GLU A 82 9.475 -0.194 0.394 1.00 0.00 C ATOM 1324 CD GLU A 82 10.711 -1.060 0.545 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.661 -2.241 0.143 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.728 -0.556 1.066 1.00 0.00 O ATOM 0 H GLU A 82 6.851 -0.884 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 82 6.786 -0.579 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.718 -1.655 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.041 -0.093 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.776 0.850 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.868 -0.273 1.296 1.00 0.00 H new ATOM 1333 N ILE A 83 6.490 1.864 0.397 1.00 0.00 N ATOM 1334 CA ILE A 83 6.287 3.304 0.499 1.00 0.00 C ATOM 1335 C ILE A 83 7.063 3.886 1.675 1.00 0.00 C ATOM 1336 O ILE A 83 7.299 3.207 2.674 1.00 0.00 O ATOM 1337 CB ILE A 83 4.795 3.652 0.659 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.976 3.013 -0.464 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.602 5.161 0.671 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.560 2.670 -0.059 1.00 0.00 C ATOM 0 H ILE A 83 6.213 1.339 1.226 1.00 0.00 H new ATOM 0 HA ILE A 83 6.656 3.742 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 83 4.444 3.253 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.947 3.694 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.479 2.106 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.543 5.391 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.159 5.592 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.966 5.582 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.038 2.221 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.580 1.964 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.040 3.577 0.248 1.00 0.00 H new ATOM 1352 N SER A 84 7.456 5.150 1.550 1.00 0.00 N ATOM 1353 CA SER A 84 8.207 5.824 2.603 1.00 0.00 C ATOM 1354 C SER A 84 7.411 6.993 3.175 1.00 0.00 C ATOM 1355 O SER A 84 6.737 7.716 2.442 1.00 0.00 O ATOM 1356 CB SER A 84 9.549 6.322 2.061 1.00 0.00 C ATOM 1357 OG SER A 84 10.244 7.079 3.038 1.00 0.00 O ATOM 0 H SER A 84 7.267 5.727 0.731 1.00 0.00 H new ATOM 0 HA SER A 84 8.389 5.106 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.158 5.472 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.382 6.933 1.174 1.00 0.00 H new ATOM 0 HG SER A 84 10.538 7.928 2.646 1.00 0.00 H new ATOM 1363 N ALA A 85 7.496 7.171 4.489 1.00 0.00 N ATOM 1364 CA ALA A 85 6.785 8.253 5.160 1.00 0.00 C ATOM 1365 C ALA A 85 7.753 9.330 5.640 1.00 0.00 C ATOM 1366 O ALA A 85 8.952 9.086 5.773 1.00 0.00 O ATOM 1367 CB ALA A 85 5.977 7.708 6.328 1.00 0.00 C ATOM 0 H ALA A 85 8.050 6.581 5.110 1.00 0.00 H new ATOM 0 HA ALA A 85 6.103 8.708 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.451 8.526 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.253 6.980 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.647 7.227 7.041 1.00 0.00 H new ATOM 1373 N SER A 86 7.223 10.522 5.898 1.00 0.00 N ATOM 1374 CA SER A 86 8.041 11.638 6.358 1.00 0.00 C ATOM 1375 C SER A 86 8.177 11.620 7.878 1.00 0.00 C ATOM 1376 O SER A 86 9.286 11.590 8.412 1.00 0.00 O ATOM 1377 CB SER A 86 7.431 12.966 5.905 1.00 0.00 C ATOM 1378 OG SER A 86 8.131 14.065 6.462 1.00 0.00 O ATOM 0 H SER A 86 6.232 10.739 5.796 1.00 0.00 H new ATOM 0 HA SER A 86 9.034 11.534 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.456 13.029 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.383 13.009 6.203 1.00 0.00 H new ATOM 0 HG SER A 86 7.723 14.902 6.156 1.00 0.00 H new ATOM 1384 N ASP A 87 7.042 11.640 8.567 1.00 0.00 N ATOM 1385 CA ASP A 87 7.033 11.625 10.026 1.00 0.00 C ATOM 1386 C ASP A 87 6.143 10.504 10.552 1.00 0.00 C ATOM 1387 O ASP A 87 5.243 10.032 9.856 1.00 0.00 O ATOM 1388 CB ASP A 87 6.552 12.972 10.567 1.00 0.00 C ATOM 1389 CG ASP A 87 5.502 13.612 9.680 1.00 0.00 C ATOM 1390 OD1 ASP A 87 4.332 13.180 9.741 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.851 14.543 8.924 1.00 0.00 O ATOM 0 H ASP A 87 6.116 11.667 8.140 1.00 0.00 H new ATOM 0 HA ASP A 87 8.052 11.447 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.142 12.833 11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.403 13.647 10.662 1.00 0.00 H new ATOM 1396 N LYS A 88 6.399 10.081 11.786 1.00 0.00 N ATOM 1397 CA LYS A 88 5.622 9.016 12.407 1.00 0.00 C ATOM 1398 C LYS A 88 4.137 9.170 12.090 1.00 0.00 C ATOM 1399 O LYS A 88 3.437 8.185 11.855 1.00 0.00 O ATOM 1400 CB LYS A 88 5.834 9.019 13.923 1.00 0.00 C ATOM 1401 CG LYS A 88 7.169 8.436 14.351 1.00 0.00 C ATOM 1402 CD LYS A 88 7.081 6.933 14.555 1.00 0.00 C ATOM 1403 CE LYS A 88 6.449 6.588 15.895 1.00 0.00 C ATOM 1404 NZ LYS A 88 4.964 6.510 15.804 1.00 0.00 N ATOM 0 H LYS A 88 7.140 10.461 12.376 1.00 0.00 H new ATOM 0 HA LYS A 88 5.966 8.065 12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.760 10.043 14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.031 8.452 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.923 8.658 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.495 8.911 15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.495 6.489 13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.079 6.498 14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.842 5.634 16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.729 7.340 16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.624 5.701 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.547 7.387 16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.683 6.388 14.810 1.00 0.00 H new ATOM 1418 N LYS A 89 3.664 10.411 12.085 1.00 0.00 N ATOM 1419 CA LYS A 89 2.263 10.695 11.795 1.00 0.00 C ATOM 1420 C LYS A 89 1.828 10.016 10.500 1.00 0.00 C ATOM 1421 O LYS A 89 0.978 9.125 10.510 1.00 0.00 O ATOM 1422 CB LYS A 89 2.039 12.205 11.691 1.00 0.00 C ATOM 1423 CG LYS A 89 0.580 12.613 11.808 1.00 0.00 C ATOM 1424 CD LYS A 89 0.389 14.092 11.517 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.060 14.412 11.184 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.332 14.296 9.724 1.00 0.00 N ATOM 0 H LYS A 89 4.230 11.237 12.279 1.00 0.00 H new ATOM 0 HA LYS A 89 1.661 10.300 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.611 12.703 12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.431 12.557 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.020 12.024 11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.218 12.389 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.703 14.677 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.028 14.386 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.716 13.735 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.295 15.423 11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.330 14.522 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.724 14.960 9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.132 13.325 9.410 1.00 0.00 H new ATOM 1440 N LYS A 90 2.416 10.441 9.387 1.00 0.00 N ATOM 1441 CA LYS A 90 2.091 9.872 8.085 1.00 0.00 C ATOM 1442 C LYS A 90 2.235 8.354 8.103 1.00 0.00 C ATOM 1443 O LYS A 90 1.288 7.626 7.805 1.00 0.00 O ATOM 1444 CB LYS A 90 2.997 10.468 7.005 1.00 0.00 C ATOM 1445 CG LYS A 90 2.400 11.680 6.310 1.00 0.00 C ATOM 1446 CD LYS A 90 2.234 12.846 7.269 1.00 0.00 C ATOM 1447 CE LYS A 90 2.158 14.172 6.527 1.00 0.00 C ATOM 1448 NZ LYS A 90 1.604 15.256 7.384 1.00 0.00 N ATOM 0 H LYS A 90 3.121 11.178 9.361 1.00 0.00 H new ATOM 0 HA LYS A 90 1.054 10.118 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.948 10.750 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.212 9.702 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.042 11.978 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.432 11.417 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.329 12.706 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.071 12.866 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.153 14.454 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.535 14.057 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.568 16.143 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.644 14.999 7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.212 15.384 8.218 1.00 0.00 H new ATOM 1462 N LYS A 91 3.426 7.881 8.455 1.00 0.00 N ATOM 1463 CA LYS A 91 3.694 6.449 8.515 1.00 0.00 C ATOM 1464 C LYS A 91 2.566 5.714 9.232 1.00 0.00 C ATOM 1465 O LYS A 91 1.878 4.884 8.637 1.00 0.00 O ATOM 1466 CB LYS A 91 5.022 6.187 9.229 1.00 0.00 C ATOM 1467 CG LYS A 91 5.513 4.756 9.094 1.00 0.00 C ATOM 1468 CD LYS A 91 4.783 3.823 10.045 1.00 0.00 C ATOM 1469 CE LYS A 91 5.663 2.657 10.468 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.838 3.109 11.262 1.00 0.00 N ATOM 0 H LYS A 91 4.222 8.469 8.703 1.00 0.00 H new ATOM 0 HA LYS A 91 3.757 6.074 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.779 6.861 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.910 6.425 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.369 4.417 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.584 4.717 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.464 4.378 10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.882 3.444 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.075 1.954 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.007 2.122 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.133 2.350 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.622 3.341 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.581 3.953 11.813 1.00 0.00 H new ATOM 1484 N GLN A 92 2.381 6.025 10.510 1.00 0.00 N ATOM 1485 CA GLN A 92 1.335 5.394 11.307 1.00 0.00 C ATOM 1486 C GLN A 92 -0.039 5.635 10.690 1.00 0.00 C ATOM 1487 O GLN A 92 -0.699 4.700 10.239 1.00 0.00 O ATOM 1488 CB GLN A 92 1.364 5.927 12.740 1.00 0.00 C ATOM 1489 CG GLN A 92 0.255 5.371 13.619 1.00 0.00 C ATOM 1490 CD GLN A 92 0.608 5.401 15.093 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.765 6.470 15.684 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.735 4.225 15.696 1.00 0.00 N ATOM 0 H GLN A 92 2.942 6.710 11.017 1.00 0.00 H new ATOM 0 HA GLN A 92 1.523 4.320 11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.327 5.686 13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.287 7.014 12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.656 5.947 13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.041 4.345 13.321 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.596 3.363 15.168 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.971 4.183 16.687 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.463 6.895 10.675 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.759 7.258 10.114 1.00 0.00 C ATOM 1503 C GLU A 93 -2.066 6.427 8.872 1.00 0.00 C ATOM 1504 O GLU A 93 -3.106 5.772 8.792 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.790 8.747 9.765 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.740 9.658 10.980 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.106 9.877 11.602 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.002 10.392 10.901 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.279 9.532 12.790 1.00 0.00 O ATOM 0 H GLU A 93 0.072 7.681 11.045 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.522 7.053 10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.946 8.977 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.697 8.960 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.071 9.228 11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.318 10.621 10.691 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.156 6.459 7.906 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.329 5.709 6.667 1.00 0.00 C ATOM 1518 C TRP A 94 -1.545 4.227 6.953 1.00 0.00 C ATOM 1519 O TRP A 94 -2.554 3.649 6.547 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.111 5.894 5.760 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.231 7.068 4.836 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.251 8.328 5.046 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.875 7.090 3.558 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.055 9.133 3.975 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.745 8.397 3.049 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.548 6.133 2.794 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.264 8.768 1.811 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.063 6.503 1.566 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.918 7.811 1.084 1.00 0.00 C ATOM 0 H TRP A 94 -0.290 6.996 7.956 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.213 6.094 6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.778 6.017 6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.034 4.989 5.169 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.793 8.645 5.925 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.192 10.119 3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.664 5.122 3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.154 9.776 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.586 5.772 0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.331 8.069 0.120 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.594 3.619 7.654 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.683 2.205 7.995 1.00 0.00 C ATOM 1542 C ILE A 95 -2.036 1.873 8.614 1.00 0.00 C ATOM 1543 O ILE A 95 -2.744 0.983 8.141 1.00 0.00 O ATOM 1544 CB ILE A 95 0.432 1.791 8.973 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.781 1.743 8.252 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.113 0.441 9.599 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.898 1.174 9.098 1.00 0.00 C ATOM 0 H ILE A 95 0.247 4.084 7.997 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.565 1.648 7.065 1.00 0.00 H new ATOM 0 HB ILE A 95 0.492 2.534 9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.679 1.143 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.052 2.751 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.910 0.162 10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.830 0.505 10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.030 -0.313 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.824 1.170 8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.027 1.787 9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.649 0.154 9.391 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.390 2.594 9.672 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.660 2.376 10.355 1.00 0.00 C ATOM 1561 C GLN A 96 -4.827 2.476 9.379 1.00 0.00 C ATOM 1562 O GLN A 96 -5.756 1.670 9.423 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.836 3.392 11.485 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.030 3.062 12.732 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.658 3.615 13.996 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.066 4.449 14.683 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.863 3.154 14.310 1.00 0.00 N ATOM 0 H GLN A 96 -1.816 3.334 10.075 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.649 1.371 10.778 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.544 4.378 11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.892 3.449 11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.934 1.980 12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.022 3.464 12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.317 2.463 13.712 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.335 3.491 15.149 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.773 3.471 8.499 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.825 3.675 7.511 1.00 0.00 C ATOM 1578 C ALA A 97 -5.940 2.475 6.576 1.00 0.00 C ATOM 1579 O ALA A 97 -7.003 1.864 6.465 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.562 4.944 6.714 1.00 0.00 C ATOM 0 H ALA A 97 -4.012 4.148 8.450 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.771 3.782 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.356 5.084 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.538 5.799 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.604 4.859 6.201 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.841 2.145 5.907 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.820 1.019 4.982 1.00 0.00 C ATOM 1588 C ILE A 98 -5.214 -0.277 5.684 1.00 0.00 C ATOM 1589 O ILE A 98 -6.140 -0.969 5.260 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.430 0.840 4.344 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.982 2.141 3.674 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.452 -0.300 3.337 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.520 2.149 3.285 1.00 0.00 C ATOM 0 H ILE A 98 -3.954 2.641 5.988 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.545 1.241 4.199 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.715 0.592 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.587 2.308 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.174 2.973 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.462 -0.414 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.733 -1.225 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.176 -0.079 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.274 3.102 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.906 2.013 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.326 1.338 2.583 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.506 -0.598 6.762 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.783 -1.809 7.526 1.00 0.00 C ATOM 1607 C HIS A 99 -6.276 -1.944 7.808 1.00 0.00 C ATOM 1608 O HIS A 99 -6.896 -2.948 7.456 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.003 -1.798 8.841 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.693 -3.167 9.365 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.664 -3.420 10.247 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.285 -4.361 9.128 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.635 -4.710 10.529 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.609 -5.304 9.862 1.00 0.00 N ATOM 0 H HIS A 99 -3.736 -0.036 7.126 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.465 -2.665 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.070 -1.254 8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.577 -1.253 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.132 -4.539 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.935 -5.196 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.824 -6.301 9.888 1.00 0.00 H new ATOM 1623 N SER A 100 -6.848 -0.927 8.444 1.00 0.00 N ATOM 1624 CA SER A 100 -8.268 -0.934 8.777 1.00 0.00 C ATOM 1625 C SER A 100 -9.119 -1.109 7.523 1.00 0.00 C ATOM 1626 O SER A 100 -10.037 -1.929 7.491 1.00 0.00 O ATOM 1627 CB SER A 100 -8.652 0.363 9.492 1.00 0.00 C ATOM 1628 OG SER A 100 -8.065 0.430 10.780 1.00 0.00 O ATOM 0 H SER A 100 -6.350 -0.087 8.739 1.00 0.00 H new ATOM 0 HA SER A 100 -8.456 -1.776 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.330 1.218 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.737 0.426 9.580 1.00 0.00 H new ATOM 0 HG SER A 100 -7.176 0.836 10.713 1.00 0.00 H new ATOM 1634 N THR A 101 -8.807 -0.332 6.491 1.00 0.00 N ATOM 1635 CA THR A 101 -9.542 -0.399 5.234 1.00 0.00 C ATOM 1636 C THR A 101 -9.704 -1.841 4.768 1.00 0.00 C ATOM 1637 O THR A 101 -10.746 -2.215 4.229 1.00 0.00 O ATOM 1638 CB THR A 101 -8.840 0.411 4.128 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.738 1.785 4.516 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.599 0.304 2.814 1.00 0.00 C ATOM 0 H THR A 101 -8.050 0.351 6.501 1.00 0.00 H new ATOM 0 HA THR A 101 -10.526 0.032 5.420 1.00 0.00 H new ATOM 0 HB THR A 101 -7.841 -0.000 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.885 1.933 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.084 0.884 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.648 -0.740 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.609 0.692 2.945 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.669 -2.646 4.980 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.698 -4.048 4.582 1.00 0.00 C ATOM 1650 C ILE A 102 -9.695 -4.837 5.424 1.00 0.00 C ATOM 1651 O ILE A 102 -10.453 -5.656 4.902 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.308 -4.699 4.710 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.287 -3.945 3.855 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.369 -6.163 4.303 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.860 -4.120 4.323 1.00 0.00 C ATOM 0 H ILE A 102 -7.800 -2.352 5.425 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.007 -4.073 3.537 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.992 -4.645 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.367 -4.286 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.535 -2.884 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.379 -6.609 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.069 -6.692 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.703 -6.239 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.192 -3.558 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.764 -3.752 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.594 -5.177 4.292 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.691 -4.585 6.729 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.597 -5.270 7.643 1.00 0.00 C ATOM 1669 C HIS A 103 -12.037 -5.186 7.145 1.00 0.00 C ATOM 1670 O HIS A 103 -12.793 -6.155 7.232 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.494 -4.667 9.044 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.510 -5.206 10.005 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.862 -5.181 9.969 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -11.171 -5.863 11.168 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.312 -5.817 11.100 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -12.271 -6.220 11.806 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.070 -3.911 7.177 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.306 -6.320 7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.496 -4.856 9.439 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.610 -3.585 8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.163 -6.056 11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.348 -5.964 11.368 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.310 -6.722 12.693 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.411 -4.023 6.624 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.761 -3.812 6.113 1.00 0.00 C ATOM 1687 C LEU A 104 -14.088 -4.814 5.010 1.00 0.00 C ATOM 1688 O LEU A 104 -15.228 -5.263 4.883 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.908 -2.385 5.581 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.540 -1.265 6.554 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.507 0.076 5.837 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.520 -1.225 7.718 1.00 0.00 C ATOM 0 H LEU A 104 -11.798 -3.211 6.544 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.462 -3.962 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.287 -2.285 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.942 -2.241 5.266 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.545 -1.467 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.243 0.861 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.765 0.044 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.489 0.286 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.242 -0.422 8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.527 -1.048 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.494 -2.177 8.249 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.082 -5.162 4.217 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.261 -6.114 3.126 1.00 0.00 C ATOM 1706 C LEU A 105 -13.458 -7.527 3.663 1.00 0.00 C ATOM 1707 O LEU A 105 -14.181 -8.332 3.075 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.055 -6.076 2.186 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.030 -4.933 1.171 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.613 -4.693 0.673 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.963 -5.233 0.007 1.00 0.00 C ATOM 0 H LEU A 105 -12.133 -4.799 4.308 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.155 -5.829 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.150 -6.018 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.014 -7.019 1.642 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.378 -4.026 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.614 -3.876 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.971 -4.433 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.237 -5.598 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.932 -4.409 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.645 -6.151 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.981 -5.354 0.378 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.812 -7.823 4.786 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.918 -9.138 5.406 1.00 0.00 C ATOM 1725 C LYS A 106 -14.368 -9.462 5.751 1.00 0.00 C ATOM 1726 O LYS A 106 -14.849 -10.565 5.484 1.00 0.00 O ATOM 1727 CB LYS A 106 -12.057 -9.200 6.670 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.572 -9.345 6.387 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.746 -9.203 7.654 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.287 -8.908 7.339 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.607 -8.209 8.465 1.00 0.00 N ATOM 0 H LYS A 106 -12.209 -7.169 5.285 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.558 -9.878 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.220 -8.295 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.385 -10.040 7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.380 -10.318 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.263 -8.590 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.156 -8.401 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.815 -10.120 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.766 -9.841 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.226 -8.294 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.615 -8.026 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.088 -7.307 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.642 -8.806 9.316 1.00 0.00 H new