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 68 LYS NZ :NH3+ 135:sc= 0.0415 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -52:sc= -0.28! USER MOD Set 2.1: A 13 TYR OH : rot -32:sc= 0.375 USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 10 LYS NZ :NH3+ -112:sc= -0.695 (180deg=-1.52!) USER MOD Single : A 11 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.67) USER MOD Single : A 14 MET CE :methyl 173:sc= -5.03! (180deg=-5.9!) USER MOD Single : A 15 MET CE :methyl -156:sc= -9.13! (180deg=-11.1!) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.482 (180deg=-2.35) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.329 (180deg=0.329) USER MOD Single : A 34 ASN : amide:sc= -3.24! C(o=-3.2!,f=-12!) USER MOD Single : A 37 SER OG : rot -134:sc= 1.08 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+ 165:sc= 0.711 (180deg=0.537) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 56 ASN : amide:sc= -3.98! C(o=-4!,f=-3.6!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00181 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -2.48 (180deg=-2.48) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 160:sc= -2.17 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -115:sc= -1.51! (180deg=-3.47!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0995) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= -0.0473 (180deg=-0.883) USER MOD Single : A 92 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.8!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 97:sc= 1.26 USER MOD Single : A 101 THR OG1 : rot 72:sc= 0.951 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.722 F(o=-2.1!,f=-0.72) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.184 8.312 -2.087 1.00 0.00 N ATOM 67 CA VAL A 8 -10.836 8.603 -1.612 1.00 0.00 C ATOM 68 C VAL A 8 -10.812 8.775 -0.097 1.00 0.00 C ATOM 69 O VAL A 8 -11.465 9.667 0.448 1.00 0.00 O ATOM 70 CB VAL A 8 -10.272 9.876 -2.271 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.906 10.216 -1.695 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.196 9.705 -3.781 1.00 0.00 C ATOM 0 HA VAL A 8 -10.212 7.753 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.946 10.705 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.524 11.118 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.995 10.384 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.219 9.390 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.795 10.614 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.544 8.864 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.194 9.514 -4.176 1.00 0.00 H new ATOM 82 N LEU A 9 -10.056 7.917 0.578 1.00 0.00 N ATOM 83 CA LEU A 9 -9.946 7.974 2.032 1.00 0.00 C ATOM 84 C LEU A 9 -8.801 8.888 2.456 1.00 0.00 C ATOM 85 O LEU A 9 -9.003 9.854 3.192 1.00 0.00 O ATOM 86 CB LEU A 9 -9.730 6.570 2.601 1.00 0.00 C ATOM 87 CG LEU A 9 -10.625 5.470 2.031 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.148 4.101 2.492 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.074 5.696 2.436 1.00 0.00 C ATOM 0 H LEU A 9 -9.510 7.174 0.143 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.877 8.381 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.690 6.288 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.880 6.610 3.680 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.564 5.507 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.797 3.330 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.126 3.938 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.178 4.053 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.696 4.903 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.153 5.688 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.412 6.659 2.055 1.00 0.00 H new ATOM 101 N LYS A 10 -7.598 8.579 1.984 1.00 0.00 N ATOM 102 CA LYS A 10 -6.420 9.374 2.311 1.00 0.00 C ATOM 103 C LYS A 10 -5.675 9.788 1.045 1.00 0.00 C ATOM 104 O LYS A 10 -5.840 9.177 -0.010 1.00 0.00 O ATOM 105 CB LYS A 10 -5.485 8.585 3.230 1.00 0.00 C ATOM 106 CG LYS A 10 -4.671 9.461 4.166 1.00 0.00 C ATOM 107 CD LYS A 10 -3.677 8.642 4.973 1.00 0.00 C ATOM 108 CE LYS A 10 -3.396 9.280 6.324 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.641 9.470 7.119 1.00 0.00 N ATOM 0 H LYS A 10 -7.413 7.783 1.373 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.752 10.274 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.076 7.886 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.805 7.991 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.138 10.215 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.340 9.992 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.068 7.635 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.746 8.545 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.700 8.654 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.909 10.244 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.843 10.486 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.435 9.001 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.516 9.056 8.065 1.00 0.00 H new ATOM 123 N GLN A 11 -4.856 10.829 1.160 1.00 0.00 N ATOM 124 CA GLN A 11 -4.086 11.323 0.025 1.00 0.00 C ATOM 125 C GLN A 11 -2.876 12.124 0.495 1.00 0.00 C ATOM 126 O GLN A 11 -2.976 12.938 1.411 1.00 0.00 O ATOM 127 CB GLN A 11 -4.966 12.189 -0.877 1.00 0.00 C ATOM 128 CG GLN A 11 -5.546 13.406 -0.175 1.00 0.00 C ATOM 129 CD GLN A 11 -5.790 14.565 -1.121 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.178 15.626 -0.993 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.687 14.368 -2.080 1.00 0.00 N ATOM 0 H GLN A 11 -4.709 11.346 2.027 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.731 10.463 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.379 12.520 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.783 11.581 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.485 13.130 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.865 13.724 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.171 13.473 -2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.892 15.112 -2.747 1.00 0.00 H new ATOM 140 N GLY A 12 -1.732 11.885 -0.139 1.00 0.00 N ATOM 141 CA GLY A 12 -0.519 12.592 0.229 1.00 0.00 C ATOM 142 C GLY A 12 0.664 12.200 -0.634 1.00 0.00 C ATOM 143 O GLY A 12 0.623 11.189 -1.335 1.00 0.00 O ATOM 0 H GLY A 12 -1.624 11.215 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.687 13.665 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.286 12.388 1.274 1.00 0.00 H new ATOM 147 N TYR A 13 1.722 13.003 -0.585 1.00 0.00 N ATOM 148 CA TYR A 13 2.920 12.738 -1.372 1.00 0.00 C ATOM 149 C TYR A 13 3.853 11.779 -0.637 1.00 0.00 C ATOM 150 O TYR A 13 4.555 12.171 0.294 1.00 0.00 O ATOM 151 CB TYR A 13 3.653 14.044 -1.680 1.00 0.00 C ATOM 152 CG TYR A 13 3.215 14.694 -2.973 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.318 14.018 -4.182 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.698 15.984 -2.985 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.920 14.608 -5.366 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.296 16.581 -4.164 1.00 0.00 C ATOM 157 CZ TYR A 13 2.409 15.890 -5.352 1.00 0.00 C ATOM 158 OH TYR A 13 2.010 16.481 -6.529 1.00 0.00 O ATOM 0 H TYR A 13 1.774 13.843 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 13 2.613 12.272 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.493 14.743 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.724 13.847 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.716 13.014 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.609 16.529 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.008 14.069 -6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.895 17.584 -4.155 1.00 0.00 H new ATOM 0 HH TYR A 13 2.571 16.157 -7.264 1.00 0.00 H new ATOM 168 N MET A 14 3.852 10.521 -1.064 1.00 0.00 N ATOM 169 CA MET A 14 4.699 9.506 -0.448 1.00 0.00 C ATOM 170 C MET A 14 5.823 9.089 -1.393 1.00 0.00 C ATOM 171 O MET A 14 5.706 9.227 -2.610 1.00 0.00 O ATOM 172 CB MET A 14 3.866 8.283 -0.058 1.00 0.00 C ATOM 173 CG MET A 14 2.577 8.633 0.668 1.00 0.00 C ATOM 174 SD MET A 14 1.932 7.258 1.639 1.00 0.00 S ATOM 175 CE MET A 14 1.225 6.235 0.350 1.00 0.00 C ATOM 0 H MET A 14 3.275 10.180 -1.833 1.00 0.00 H new ATOM 0 HA MET A 14 5.143 9.936 0.450 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.625 7.716 -0.957 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.466 7.632 0.578 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.754 9.485 1.325 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.827 8.942 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.897 5.287 0.777 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.372 6.748 -0.095 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.976 6.047 -0.418 1.00 0.00 H new ATOM 185 N MET A 15 6.910 8.579 -0.823 1.00 0.00 N ATOM 186 CA MET A 15 8.053 8.142 -1.616 1.00 0.00 C ATOM 187 C MET A 15 8.104 6.620 -1.704 1.00 0.00 C ATOM 188 O MET A 15 8.387 5.940 -0.718 1.00 0.00 O ATOM 189 CB MET A 15 9.354 8.673 -1.009 1.00 0.00 C ATOM 190 CG MET A 15 9.683 10.096 -1.428 1.00 0.00 C ATOM 191 SD MET A 15 11.415 10.518 -1.154 1.00 0.00 S ATOM 192 CE MET A 15 12.102 10.197 -2.777 1.00 0.00 C ATOM 0 H MET A 15 7.023 8.458 0.183 1.00 0.00 H new ATOM 0 HA MET A 15 7.939 8.543 -2.623 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.282 8.630 0.078 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.175 8.018 -1.300 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.445 10.224 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.052 10.789 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.169 9.993 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.603 9.334 -3.219 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.952 11.068 -3.414 1.00 0.00 H new ATOM 202 N LYS A 16 7.826 6.091 -2.891 1.00 0.00 N ATOM 203 CA LYS A 16 7.840 4.650 -3.109 1.00 0.00 C ATOM 204 C LYS A 16 9.210 4.187 -3.596 1.00 0.00 C ATOM 205 O LYS A 16 9.947 4.947 -4.225 1.00 0.00 O ATOM 206 CB LYS A 16 6.767 4.257 -4.126 1.00 0.00 C ATOM 207 CG LYS A 16 7.027 2.920 -4.799 1.00 0.00 C ATOM 208 CD LYS A 16 5.732 2.250 -5.228 1.00 0.00 C ATOM 209 CE LYS A 16 5.333 2.659 -6.638 1.00 0.00 C ATOM 210 NZ LYS A 16 5.121 4.128 -6.751 1.00 0.00 N ATOM 0 H LYS A 16 7.588 6.640 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 16 7.627 4.162 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.800 4.220 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.701 5.032 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.667 3.068 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.567 2.266 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.849 1.167 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.936 2.515 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.108 2.349 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.419 2.137 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.383 4.319 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.823 4.508 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.008 4.585 -7.043 1.00 0.00 H new ATOM 224 N LYS A 17 9.545 2.935 -3.302 1.00 0.00 N ATOM 225 CA LYS A 17 10.825 2.369 -3.711 1.00 0.00 C ATOM 226 C LYS A 17 10.678 1.568 -5.001 1.00 0.00 C ATOM 227 O LYS A 17 10.033 0.521 -5.023 1.00 0.00 O ATOM 228 CB LYS A 17 11.387 1.474 -2.604 1.00 0.00 C ATOM 229 CG LYS A 17 12.905 1.428 -2.572 1.00 0.00 C ATOM 230 CD LYS A 17 13.412 0.535 -1.452 1.00 0.00 C ATOM 231 CE LYS A 17 14.819 0.922 -1.024 1.00 0.00 C ATOM 232 NZ LYS A 17 15.371 -0.022 -0.013 1.00 0.00 N ATOM 0 H LYS A 17 8.947 2.293 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 17 11.517 3.192 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.022 1.829 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.004 0.462 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.279 1.062 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.298 2.436 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.739 0.604 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.404 -0.504 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.472 0.942 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.808 1.931 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.331 0.276 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.763 -0.022 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.405 -0.980 -0.415 1.00 0.00 H new ATOM 355 N TRP A 24 14.139 6.235 -4.404 1.00 0.00 N ATOM 356 CA TRP A 24 12.918 6.788 -3.828 1.00 0.00 C ATOM 357 C TRP A 24 12.461 8.020 -4.601 1.00 0.00 C ATOM 358 O TRP A 24 13.260 8.905 -4.909 1.00 0.00 O ATOM 359 CB TRP A 24 13.141 7.147 -2.358 1.00 0.00 C ATOM 360 CG TRP A 24 13.492 5.966 -1.504 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.744 5.570 -1.128 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.581 5.026 -0.923 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.666 4.442 -0.348 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.350 4.089 -0.207 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.191 4.888 -0.937 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.773 3.028 0.487 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.620 3.834 -0.248 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.410 2.916 0.456 1.00 0.00 C ATOM 0 HA TRP A 24 12.138 6.030 -3.896 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.939 7.886 -2.289 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.238 7.615 -1.965 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.661 6.070 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.459 3.947 0.060 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.574 5.592 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.380 2.319 1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.546 3.716 -0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.934 2.104 0.985 1.00 0.00 H new ATOM 379 N THR A 25 11.169 8.072 -4.913 1.00 0.00 N ATOM 380 CA THR A 25 10.606 9.195 -5.651 1.00 0.00 C ATOM 381 C THR A 25 9.256 9.609 -5.077 1.00 0.00 C ATOM 382 O THR A 25 8.427 8.762 -4.745 1.00 0.00 O ATOM 383 CB THR A 25 10.434 8.856 -7.144 1.00 0.00 C ATOM 384 OG1 THR A 25 9.879 9.978 -7.840 1.00 0.00 O ATOM 385 CG2 THR A 25 9.531 7.645 -7.323 1.00 0.00 C ATOM 0 H THR A 25 10.494 7.349 -4.666 1.00 0.00 H new ATOM 0 HA THR A 25 11.309 10.022 -5.552 1.00 0.00 H new ATOM 0 HB THR A 25 11.415 8.622 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.774 9.755 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.424 7.425 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.970 6.786 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.551 7.856 -6.896 1.00 0.00 H new ATOM 393 N GLU A 26 9.043 10.916 -4.963 1.00 0.00 N ATOM 394 CA GLU A 26 7.792 11.441 -4.428 1.00 0.00 C ATOM 395 C GLU A 26 6.646 11.227 -5.412 1.00 0.00 C ATOM 396 O GLU A 26 6.526 11.943 -6.406 1.00 0.00 O ATOM 397 CB GLU A 26 7.933 12.931 -4.109 1.00 0.00 C ATOM 398 CG GLU A 26 6.791 13.486 -3.275 1.00 0.00 C ATOM 399 CD GLU A 26 6.986 14.947 -2.918 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.681 15.656 -3.675 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.443 15.381 -1.881 1.00 0.00 O ATOM 0 H GLU A 26 9.719 11.630 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 26 7.565 10.900 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.871 13.093 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.994 13.490 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.856 13.372 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.697 12.902 -2.360 1.00 0.00 H new ATOM 408 N ARG A 27 5.808 10.236 -5.128 1.00 0.00 N ATOM 409 CA ARG A 27 4.673 9.925 -5.989 1.00 0.00 C ATOM 410 C ARG A 27 3.361 10.027 -5.217 1.00 0.00 C ATOM 411 O ARG A 27 3.235 9.493 -4.115 1.00 0.00 O ATOM 412 CB ARG A 27 4.822 8.522 -6.579 1.00 0.00 C ATOM 413 CG ARG A 27 3.563 8.010 -7.261 1.00 0.00 C ATOM 414 CD ARG A 27 3.543 8.372 -8.738 1.00 0.00 C ATOM 415 NE ARG A 27 4.833 8.131 -9.378 1.00 0.00 N ATOM 416 CZ ARG A 27 5.306 6.919 -9.646 1.00 0.00 C ATOM 417 NH1 ARG A 27 4.598 5.843 -9.331 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.489 6.781 -10.230 1.00 0.00 N ATOM 0 H ARG A 27 5.893 9.635 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 27 4.655 10.653 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.640 8.525 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.101 7.831 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.502 6.927 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.685 8.431 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.773 7.789 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.273 9.422 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 27 5.402 8.938 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.688 5.945 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.963 4.913 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.037 7.606 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.851 5.850 -10.435 1.00 0.00 H new ATOM 432 N TRP A 28 2.387 10.715 -5.802 1.00 0.00 N ATOM 433 CA TRP A 28 1.085 10.887 -5.169 1.00 0.00 C ATOM 434 C TRP A 28 0.379 9.546 -5.003 1.00 0.00 C ATOM 435 O TRP A 28 0.491 8.665 -5.856 1.00 0.00 O ATOM 436 CB TRP A 28 0.215 11.837 -5.994 1.00 0.00 C ATOM 437 CG TRP A 28 -0.980 12.348 -5.246 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.292 12.092 -5.525 1.00 0.00 C ATOM 439 CD2 TRP A 28 -0.971 13.204 -4.099 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.099 12.737 -4.620 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.313 13.426 -3.734 1.00 0.00 C ATOM 442 CE3 TRP A 28 0.040 13.803 -3.343 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.668 14.222 -2.648 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.313 14.593 -2.265 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.657 14.796 -1.926 1.00 0.00 C ATOM 0 H TRP A 28 2.475 11.163 -6.714 1.00 0.00 H new ATOM 0 HA TRP A 28 1.244 11.318 -4.180 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.821 12.683 -6.319 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.121 11.322 -6.894 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.643 11.473 -6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.119 12.708 -4.609 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.079 13.651 -3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.703 14.381 -2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.460 15.062 -1.674 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.900 15.418 -1.077 1.00 0.00 H new ATOM 456 N PHE A 29 -0.349 9.397 -3.901 1.00 0.00 N ATOM 457 CA PHE A 29 -1.073 8.162 -3.624 1.00 0.00 C ATOM 458 C PHE A 29 -2.524 8.454 -3.253 1.00 0.00 C ATOM 459 O PHE A 29 -2.821 9.456 -2.603 1.00 0.00 O ATOM 460 CB PHE A 29 -0.392 7.390 -2.492 1.00 0.00 C ATOM 461 CG PHE A 29 0.699 6.471 -2.966 1.00 0.00 C ATOM 462 CD1 PHE A 29 0.410 5.173 -3.354 1.00 0.00 C ATOM 463 CD2 PHE A 29 2.013 6.906 -3.022 1.00 0.00 C ATOM 464 CE1 PHE A 29 1.411 4.326 -3.789 1.00 0.00 C ATOM 465 CE2 PHE A 29 3.019 6.064 -3.456 1.00 0.00 C ATOM 466 CZ PHE A 29 2.717 4.772 -3.842 1.00 0.00 C ATOM 0 H PHE A 29 -0.453 10.116 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.062 7.553 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.026 8.100 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.142 6.806 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.610 4.819 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.254 7.915 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.172 3.316 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.040 6.415 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.501 4.112 -4.184 1.00 0.00 H new ATOM 476 N VAL A 30 -3.425 7.571 -3.673 1.00 0.00 N ATOM 477 CA VAL A 30 -4.845 7.732 -3.385 1.00 0.00 C ATOM 478 C VAL A 30 -5.423 6.473 -2.749 1.00 0.00 C ATOM 479 O VAL A 30 -5.798 5.528 -3.445 1.00 0.00 O ATOM 480 CB VAL A 30 -5.642 8.061 -4.662 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.123 8.202 -4.345 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.105 9.327 -5.313 1.00 0.00 C ATOM 0 H VAL A 30 -3.196 6.737 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.934 8.563 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.522 7.238 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.670 8.434 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.496 7.267 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.266 9.006 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.679 9.545 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.193 10.160 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.057 9.184 -5.577 1.00 0.00 H new ATOM 492 N LEU A 31 -5.494 6.466 -1.423 1.00 0.00 N ATOM 493 CA LEU A 31 -6.027 5.323 -0.691 1.00 0.00 C ATOM 494 C LEU A 31 -7.540 5.224 -0.863 1.00 0.00 C ATOM 495 O LEU A 31 -8.298 5.934 -0.202 1.00 0.00 O ATOM 496 CB LEU A 31 -5.678 5.434 0.794 1.00 0.00 C ATOM 497 CG LEU A 31 -6.379 4.445 1.725 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.145 3.016 1.260 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.898 4.627 3.157 1.00 0.00 C ATOM 0 H LEU A 31 -5.189 7.240 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.573 4.419 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.601 5.305 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.913 6.445 1.127 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.450 4.644 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.652 2.326 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.540 2.892 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.076 2.804 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.408 3.915 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.823 4.455 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.118 5.642 3.489 1.00 0.00 H new ATOM 511 N LYS A 32 -7.972 4.337 -1.752 1.00 0.00 N ATOM 512 CA LYS A 32 -9.394 4.141 -2.009 1.00 0.00 C ATOM 513 C LYS A 32 -10.018 3.234 -0.954 1.00 0.00 C ATOM 514 O LYS A 32 -9.326 2.528 -0.221 1.00 0.00 O ATOM 515 CB LYS A 32 -9.604 3.542 -3.402 1.00 0.00 C ATOM 516 CG LYS A 32 -9.747 4.583 -4.497 1.00 0.00 C ATOM 517 CD LYS A 32 -11.069 5.326 -4.391 1.00 0.00 C ATOM 518 CE LYS A 32 -11.132 6.493 -5.365 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.377 7.292 -5.194 1.00 0.00 N ATOM 0 H LYS A 32 -7.357 3.742 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.884 5.114 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.762 2.891 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.497 2.917 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.923 5.294 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.677 4.099 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.891 4.639 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.201 5.693 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.265 7.136 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.080 6.117 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.390 8.067 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.205 6.681 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.407 7.687 -4.232 1.00 0.00 H new ATOM 533 N PRO A 33 -11.357 3.251 -0.874 1.00 0.00 N ATOM 534 CA PRO A 33 -12.104 2.434 0.087 1.00 0.00 C ATOM 535 C PRO A 33 -12.045 0.947 -0.248 1.00 0.00 C ATOM 536 O PRO A 33 -12.156 0.098 0.636 1.00 0.00 O ATOM 537 CB PRO A 33 -13.537 2.955 -0.043 1.00 0.00 C ATOM 538 CG PRO A 33 -13.613 3.518 -1.420 1.00 0.00 C ATOM 539 CD PRO A 33 -12.245 4.069 -1.717 1.00 0.00 C ATOM 0 HA PRO A 33 -11.697 2.515 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.263 2.155 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.751 3.716 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.889 2.749 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.370 4.299 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.995 3.975 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.175 5.127 -1.466 1.00 0.00 H new ATOM 547 N ASN A 34 -11.869 0.640 -1.529 1.00 0.00 N ATOM 548 CA ASN A 34 -11.795 -0.745 -1.979 1.00 0.00 C ATOM 549 C ASN A 34 -10.624 -0.944 -2.937 1.00 0.00 C ATOM 550 O ASN A 34 -10.636 -1.853 -3.768 1.00 0.00 O ATOM 551 CB ASN A 34 -13.102 -1.151 -2.662 1.00 0.00 C ATOM 552 CG ASN A 34 -14.309 -0.953 -1.765 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.338 -0.043 -0.937 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.313 -1.808 -1.927 1.00 0.00 N ATOM 0 H ASN A 34 -11.775 1.331 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.638 -1.377 -1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.230 -0.566 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.043 -2.198 -2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.151 -1.725 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.245 -2.548 -2.626 1.00 0.00 H new ATOM 561 N ILE A 35 -9.615 -0.088 -2.815 1.00 0.00 N ATOM 562 CA ILE A 35 -8.437 -0.171 -3.669 1.00 0.00 C ATOM 563 C ILE A 35 -7.416 0.902 -3.303 1.00 0.00 C ATOM 564 O ILE A 35 -7.622 1.674 -2.367 1.00 0.00 O ATOM 565 CB ILE A 35 -8.808 -0.024 -5.157 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.774 -0.733 -6.035 1.00 0.00 C ATOM 567 CG2 ILE A 35 -8.912 1.446 -5.534 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.375 -1.414 -7.245 1.00 0.00 C ATOM 0 H ILE A 35 -9.590 0.670 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.000 -1.156 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.779 -0.491 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.032 -0.007 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.247 -1.475 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.175 1.534 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.681 1.924 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.954 1.936 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.585 -1.896 -7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.096 -2.164 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.878 -0.673 -7.867 1.00 0.00 H new ATOM 580 N ILE A 36 -6.317 0.944 -4.048 1.00 0.00 N ATOM 581 CA ILE A 36 -5.266 1.924 -3.804 1.00 0.00 C ATOM 582 C ILE A 36 -4.560 2.307 -5.100 1.00 0.00 C ATOM 583 O ILE A 36 -3.758 1.540 -5.632 1.00 0.00 O ATOM 584 CB ILE A 36 -4.224 1.393 -2.802 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.861 1.200 -1.424 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.040 2.345 -2.716 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.887 0.726 -0.369 1.00 0.00 C ATOM 0 H ILE A 36 -6.131 0.311 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.748 2.806 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.863 0.426 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.303 2.143 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.674 0.479 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.312 1.957 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.575 2.437 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.384 3.325 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.408 0.611 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.464 -0.233 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.086 1.457 -0.258 1.00 0.00 H new ATOM 599 N SER A 37 -4.863 3.500 -5.603 1.00 0.00 N ATOM 600 CA SER A 37 -4.258 3.985 -6.838 1.00 0.00 C ATOM 601 C SER A 37 -3.364 5.191 -6.568 1.00 0.00 C ATOM 602 O SER A 37 -3.653 6.009 -5.694 1.00 0.00 O ATOM 603 CB SER A 37 -5.344 4.357 -7.850 1.00 0.00 C ATOM 604 OG SER A 37 -6.194 3.255 -8.114 1.00 0.00 O ATOM 0 H SER A 37 -5.524 4.148 -5.174 1.00 0.00 H new ATOM 0 HA SER A 37 -3.644 3.185 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.933 5.191 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.881 4.694 -8.778 1.00 0.00 H new ATOM 0 HG SER A 37 -6.335 3.175 -9.080 1.00 0.00 H new ATOM 610 N TYR A 38 -2.276 5.293 -7.323 1.00 0.00 N ATOM 611 CA TYR A 38 -1.337 6.397 -7.165 1.00 0.00 C ATOM 612 C TYR A 38 -1.129 7.130 -8.487 1.00 0.00 C ATOM 613 O TYR A 38 -1.049 6.509 -9.548 1.00 0.00 O ATOM 614 CB TYR A 38 0.004 5.882 -6.638 1.00 0.00 C ATOM 615 CG TYR A 38 0.500 4.646 -7.353 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.017 3.386 -7.022 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.452 4.738 -8.361 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.469 2.254 -7.671 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.909 3.611 -9.018 1.00 0.00 C ATOM 620 CZ TYR A 38 1.414 2.371 -8.669 1.00 0.00 C ATOM 621 OH TYR A 38 1.865 1.246 -9.320 1.00 0.00 O ATOM 0 H TYR A 38 -2.023 4.625 -8.051 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.758 7.098 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.750 6.671 -6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.093 5.662 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.725 3.290 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.842 5.707 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.085 1.282 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.649 3.700 -9.800 1.00 0.00 H new ATOM 0 HH TYR A 38 2.527 1.502 -9.995 1.00 0.00 H new ATOM 631 N TYR A 39 -1.043 8.453 -8.415 1.00 0.00 N ATOM 632 CA TYR A 39 -0.846 9.272 -9.605 1.00 0.00 C ATOM 633 C TYR A 39 0.471 10.038 -9.528 1.00 0.00 C ATOM 634 O TYR A 39 1.001 10.277 -8.443 1.00 0.00 O ATOM 635 CB TYR A 39 -2.009 10.251 -9.774 1.00 0.00 C ATOM 636 CG TYR A 39 -3.352 9.575 -9.933 1.00 0.00 C ATOM 637 CD1 TYR A 39 -3.966 8.946 -8.857 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.006 9.563 -11.159 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.193 8.326 -8.997 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.233 8.946 -11.308 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.822 8.329 -10.224 1.00 0.00 C ATOM 642 OH TYR A 39 -7.044 7.713 -10.369 1.00 0.00 O ATOM 0 H TYR A 39 -1.107 8.982 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.809 8.609 -10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.045 10.912 -8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.822 10.878 -10.646 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.476 8.942 -7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.547 10.044 -12.010 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.657 7.842 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.728 8.947 -12.268 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.350 7.807 -11.295 1.00 0.00 H new ATOM 652 N VAL A 40 0.994 10.422 -10.688 1.00 0.00 N ATOM 653 CA VAL A 40 2.248 11.163 -10.754 1.00 0.00 C ATOM 654 C VAL A 40 2.264 12.307 -9.747 1.00 0.00 C ATOM 655 O VAL A 40 3.226 12.476 -8.999 1.00 0.00 O ATOM 656 CB VAL A 40 2.491 11.731 -12.165 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.803 12.500 -12.213 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.480 10.614 -13.198 1.00 0.00 C ATOM 0 H VAL A 40 0.568 10.232 -11.595 1.00 0.00 H new ATOM 0 HA VAL A 40 3.045 10.459 -10.512 1.00 0.00 H new ATOM 0 HB VAL A 40 1.683 12.423 -12.403 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.957 12.894 -13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.767 13.325 -11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.625 11.833 -11.954 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.653 11.033 -14.189 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.266 9.896 -12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.513 10.112 -13.180 1.00 0.00 H new ATOM 668 N SER A 41 1.190 13.092 -9.735 1.00 0.00 N ATOM 669 CA SER A 41 1.081 14.223 -8.822 1.00 0.00 C ATOM 670 C SER A 41 -0.289 14.250 -8.151 1.00 0.00 C ATOM 671 O SER A 41 -1.098 13.342 -8.333 1.00 0.00 O ATOM 672 CB SER A 41 1.321 15.535 -9.572 1.00 0.00 C ATOM 673 OG SER A 41 2.699 15.862 -9.600 1.00 0.00 O ATOM 0 H SER A 41 0.384 12.965 -10.347 1.00 0.00 H new ATOM 0 HA SER A 41 1.842 14.110 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.944 15.449 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.763 16.339 -9.092 1.00 0.00 H new ATOM 0 HG SER A 41 2.826 16.703 -10.086 1.00 0.00 H new ATOM 679 N GLU A 42 -0.540 15.300 -7.374 1.00 0.00 N ATOM 680 CA GLU A 42 -1.811 15.445 -6.675 1.00 0.00 C ATOM 681 C GLU A 42 -2.864 16.071 -7.585 1.00 0.00 C ATOM 682 O GLU A 42 -3.715 16.837 -7.132 1.00 0.00 O ATOM 683 CB GLU A 42 -1.633 16.300 -5.419 1.00 0.00 C ATOM 684 CG GLU A 42 -1.409 17.774 -5.713 1.00 0.00 C ATOM 685 CD GLU A 42 -0.996 18.558 -4.483 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.325 17.976 -3.605 1.00 0.00 O ATOM 687 OE2 GLU A 42 -1.344 19.754 -4.398 1.00 0.00 O ATOM 0 H GLU A 42 0.120 16.061 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.152 14.451 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.516 16.194 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.786 15.919 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.640 17.875 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.324 18.202 -6.122 1.00 0.00 H new ATOM 694 N ASP A 43 -2.799 15.740 -8.870 1.00 0.00 N ATOM 695 CA ASP A 43 -3.746 16.269 -9.845 1.00 0.00 C ATOM 696 C ASP A 43 -4.734 15.192 -10.282 1.00 0.00 C ATOM 697 O ASP A 43 -5.875 15.488 -10.639 1.00 0.00 O ATOM 698 CB ASP A 43 -3.003 16.821 -11.062 1.00 0.00 C ATOM 699 CG ASP A 43 -1.947 17.841 -10.682 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.316 18.899 -10.131 1.00 0.00 O ATOM 701 OD2 ASP A 43 -0.753 17.580 -10.935 1.00 0.00 O ATOM 0 H ASP A 43 -2.100 15.108 -9.261 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.303 17.078 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.532 15.998 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.719 17.280 -11.744 1.00 0.00 H new ATOM 706 N LEU A 44 -4.289 13.940 -10.253 1.00 0.00 N ATOM 707 CA LEU A 44 -5.133 12.818 -10.647 1.00 0.00 C ATOM 708 C LEU A 44 -5.447 12.871 -12.139 1.00 0.00 C ATOM 709 O LEU A 44 -6.590 12.675 -12.551 1.00 0.00 O ATOM 710 CB LEU A 44 -6.433 12.824 -9.840 1.00 0.00 C ATOM 711 CG LEU A 44 -6.285 13.023 -8.331 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.637 13.306 -7.695 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.639 11.802 -7.693 1.00 0.00 C ATOM 0 H LEU A 44 -3.348 13.677 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.589 11.896 -10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.075 13.614 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.949 11.880 -10.013 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.638 13.883 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.512 13.445 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.062 14.210 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.307 12.466 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.542 11.961 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.260 10.925 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.652 11.644 -8.127 1.00 0.00 H new ATOM 725 N LYS A 45 -4.424 13.134 -12.944 1.00 0.00 N ATOM 726 CA LYS A 45 -4.588 13.209 -14.391 1.00 0.00 C ATOM 727 C LYS A 45 -3.843 12.072 -15.083 1.00 0.00 C ATOM 728 O LYS A 45 -4.342 11.483 -16.042 1.00 0.00 O ATOM 729 CB LYS A 45 -4.083 14.556 -14.913 1.00 0.00 C ATOM 730 CG LYS A 45 -4.697 15.752 -14.205 1.00 0.00 C ATOM 731 CD LYS A 45 -5.959 16.227 -14.906 1.00 0.00 C ATOM 732 CE LYS A 45 -7.201 15.565 -14.328 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.533 16.094 -12.976 1.00 0.00 N ATOM 0 H LYS A 45 -3.471 13.299 -12.619 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.650 13.114 -14.616 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.999 14.596 -14.802 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.297 14.626 -15.979 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.931 15.485 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.972 16.565 -14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.044 17.309 -14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.890 16.006 -15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.045 15.727 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.044 14.488 -14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.503 15.818 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.869 15.703 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.459 17.131 -12.981 1.00 0.00 H new ATOM 747 N ASP A 46 -2.647 11.768 -14.590 1.00 0.00 N ATOM 748 CA ASP A 46 -1.834 10.700 -15.159 1.00 0.00 C ATOM 749 C ASP A 46 -1.706 9.536 -14.182 1.00 0.00 C ATOM 750 O ASP A 46 -0.739 9.451 -13.424 1.00 0.00 O ATOM 751 CB ASP A 46 -0.447 11.227 -15.529 1.00 0.00 C ATOM 752 CG ASP A 46 -0.430 11.909 -16.883 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.215 11.500 -17.763 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.371 12.851 -17.063 1.00 0.00 O ATOM 0 H ASP A 46 -2.219 12.247 -13.797 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.329 10.341 -16.061 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.113 11.931 -14.766 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.264 10.401 -15.533 1.00 0.00 H new ATOM 759 N LYS A 47 -2.686 8.640 -14.204 1.00 0.00 N ATOM 760 CA LYS A 47 -2.684 7.479 -13.321 1.00 0.00 C ATOM 761 C LYS A 47 -1.493 6.574 -13.616 1.00 0.00 C ATOM 762 O LYS A 47 -1.011 6.512 -14.748 1.00 0.00 O ATOM 763 CB LYS A 47 -3.987 6.692 -13.476 1.00 0.00 C ATOM 764 CG LYS A 47 -4.165 5.600 -12.436 1.00 0.00 C ATOM 765 CD LYS A 47 -5.622 5.191 -12.300 1.00 0.00 C ATOM 766 CE LYS A 47 -6.002 4.132 -13.324 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.436 3.748 -13.218 1.00 0.00 N ATOM 0 H LYS A 47 -3.494 8.695 -14.825 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.602 7.835 -12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.828 7.382 -13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.015 6.244 -14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.567 4.732 -12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.793 5.949 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.801 4.808 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.260 6.066 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.800 4.508 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.378 3.249 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.655 3.025 -13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.624 3.366 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.032 4.585 -13.378 1.00 0.00 H new ATOM 781 N LYS A 48 -1.022 5.870 -12.592 1.00 0.00 N ATOM 782 CA LYS A 48 0.111 4.965 -12.741 1.00 0.00 C ATOM 783 C LYS A 48 -0.341 3.510 -12.662 1.00 0.00 C ATOM 784 O LYS A 48 0.097 2.670 -13.447 1.00 0.00 O ATOM 785 CB LYS A 48 1.159 5.244 -11.661 1.00 0.00 C ATOM 786 CG LYS A 48 2.093 6.393 -12.003 1.00 0.00 C ATOM 787 CD LYS A 48 3.243 5.933 -12.883 1.00 0.00 C ATOM 788 CE LYS A 48 3.865 7.097 -13.640 1.00 0.00 C ATOM 789 NZ LYS A 48 4.968 7.734 -12.868 1.00 0.00 N ATOM 0 H LYS A 48 -1.408 5.909 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 48 0.555 5.137 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.651 5.466 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.750 4.343 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.534 7.178 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.488 6.828 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.002 5.450 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.884 5.187 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.248 6.744 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.098 7.840 -13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.377 8.512 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.594 8.108 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.704 7.027 -12.667 1.00 0.00 H new ATOM 803 N GLY A 49 -1.221 3.220 -11.709 1.00 0.00 N ATOM 804 CA GLY A 49 -1.719 1.866 -11.546 1.00 0.00 C ATOM 805 C GLY A 49 -2.731 1.751 -10.423 1.00 0.00 C ATOM 806 O GLY A 49 -3.213 2.760 -9.908 1.00 0.00 O ATOM 0 H GLY A 49 -1.598 3.898 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.177 1.536 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.882 1.196 -11.347 1.00 0.00 H new ATOM 810 N ASP A 50 -3.054 0.520 -10.044 1.00 0.00 N ATOM 811 CA ASP A 50 -4.016 0.277 -8.976 1.00 0.00 C ATOM 812 C ASP A 50 -3.670 -0.997 -8.212 1.00 0.00 C ATOM 813 O ASP A 50 -3.170 -1.963 -8.790 1.00 0.00 O ATOM 814 CB ASP A 50 -5.431 0.174 -9.548 1.00 0.00 C ATOM 815 CG ASP A 50 -5.690 1.195 -10.638 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.645 2.407 -10.340 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.937 0.782 -11.791 1.00 0.00 O ATOM 0 H ASP A 50 -2.664 -0.325 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.972 1.118 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.586 -0.828 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.155 0.312 -8.745 1.00 0.00 H new ATOM 822 N ILE A 51 -3.937 -0.992 -6.910 1.00 0.00 N ATOM 823 CA ILE A 51 -3.653 -2.147 -6.068 1.00 0.00 C ATOM 824 C ILE A 51 -4.934 -2.724 -5.476 1.00 0.00 C ATOM 825 O ILE A 51 -5.444 -2.231 -4.469 1.00 0.00 O ATOM 826 CB ILE A 51 -2.690 -1.785 -4.922 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.390 -1.206 -5.483 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.404 -3.008 -4.063 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.618 -0.372 -4.483 1.00 0.00 C ATOM 0 H ILE A 51 -4.350 -0.201 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.181 -2.894 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.163 -1.028 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.757 -2.023 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.621 -0.593 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.722 -2.736 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.336 -3.381 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.949 -3.785 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.292 0.006 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.233 0.466 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.356 -0.987 -3.622 1.00 0.00 H new ATOM 841 N LEU A 52 -5.450 -3.774 -6.107 1.00 0.00 N ATOM 842 CA LEU A 52 -6.672 -4.421 -5.643 1.00 0.00 C ATOM 843 C LEU A 52 -6.572 -4.775 -4.162 1.00 0.00 C ATOM 844 O LEU A 52 -5.787 -5.641 -3.772 1.00 0.00 O ATOM 845 CB LEU A 52 -6.948 -5.682 -6.463 1.00 0.00 C ATOM 846 CG LEU A 52 -6.911 -5.516 -7.982 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.129 -6.854 -8.671 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.956 -4.506 -8.434 1.00 0.00 C ATOM 0 H LEU A 52 -5.041 -4.195 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.497 -3.721 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.217 -6.441 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.929 -6.066 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.927 -5.142 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.099 -6.716 -9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.344 -7.549 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.100 -7.257 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.915 -4.401 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.947 -4.852 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.755 -3.541 -7.968 1.00 0.00 H new ATOM 860 N LEU A 53 -7.372 -4.102 -3.343 1.00 0.00 N ATOM 861 CA LEU A 53 -7.376 -4.347 -1.905 1.00 0.00 C ATOM 862 C LEU A 53 -8.191 -5.591 -1.566 1.00 0.00 C ATOM 863 O LEU A 53 -9.310 -5.763 -2.051 1.00 0.00 O ATOM 864 CB LEU A 53 -7.942 -3.135 -1.163 1.00 0.00 C ATOM 865 CG LEU A 53 -6.975 -1.971 -0.944 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.665 -0.836 -0.202 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.743 -2.437 -0.182 1.00 0.00 C ATOM 0 H LEU A 53 -8.026 -3.382 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.347 -4.512 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.805 -2.765 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.306 -3.467 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.656 -1.600 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.961 -0.017 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.516 -0.484 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.013 -1.193 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.066 -1.595 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.044 -2.834 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.236 -3.216 -0.752 1.00 0.00 H new ATOM 879 N ASP A 54 -7.624 -6.454 -0.731 1.00 0.00 N ATOM 880 CA ASP A 54 -8.300 -7.681 -0.324 1.00 0.00 C ATOM 881 C ASP A 54 -7.795 -8.155 1.035 1.00 0.00 C ATOM 882 O ASP A 54 -6.627 -7.966 1.374 1.00 0.00 O ATOM 883 CB ASP A 54 -8.087 -8.776 -1.371 1.00 0.00 C ATOM 884 CG ASP A 54 -6.669 -8.799 -1.905 1.00 0.00 C ATOM 885 OD1 ASP A 54 -5.747 -9.118 -1.126 1.00 0.00 O ATOM 886 OD2 ASP A 54 -6.480 -8.497 -3.102 1.00 0.00 O ATOM 0 H ASP A 54 -6.698 -6.327 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.366 -7.469 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.322 -9.745 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.781 -8.624 -2.198 1.00 0.00 H new ATOM 891 N GLU A 55 -8.684 -8.769 1.810 1.00 0.00 N ATOM 892 CA GLU A 55 -8.328 -9.267 3.133 1.00 0.00 C ATOM 893 C GLU A 55 -6.888 -9.771 3.155 1.00 0.00 C ATOM 894 O GLU A 55 -6.181 -9.617 4.150 1.00 0.00 O ATOM 895 CB GLU A 55 -9.280 -10.389 3.553 1.00 0.00 C ATOM 896 CG GLU A 55 -9.443 -11.474 2.502 1.00 0.00 C ATOM 897 CD GLU A 55 -10.111 -12.721 3.048 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.294 -12.637 3.439 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.451 -13.780 3.085 1.00 0.00 O ATOM 0 H GLU A 55 -9.655 -8.933 1.544 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.416 -8.442 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.912 -10.840 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.257 -9.961 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.033 -11.085 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.464 -11.737 2.102 1.00 0.00 H new ATOM 906 N ASN A 56 -6.462 -10.375 2.051 1.00 0.00 N ATOM 907 CA ASN A 56 -5.107 -10.904 1.943 1.00 0.00 C ATOM 908 C ASN A 56 -4.074 -9.795 2.122 1.00 0.00 C ATOM 909 O ASN A 56 -3.165 -9.905 2.945 1.00 0.00 O ATOM 910 CB ASN A 56 -4.909 -11.586 0.588 1.00 0.00 C ATOM 911 CG ASN A 56 -5.264 -13.060 0.625 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.402 -13.922 0.460 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.541 -13.355 0.844 1.00 0.00 N ATOM 0 H ASN A 56 -7.035 -10.511 1.218 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.967 -11.639 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.523 -11.086 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.871 -11.473 0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.840 -14.329 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.222 -12.607 0.975 1.00 0.00 H new ATOM 920 N CYS A 57 -4.222 -8.726 1.346 1.00 0.00 N ATOM 921 CA CYS A 57 -3.304 -7.596 1.418 1.00 0.00 C ATOM 922 C CYS A 57 -3.169 -7.094 2.853 1.00 0.00 C ATOM 923 O CYS A 57 -4.165 -6.916 3.555 1.00 0.00 O ATOM 924 CB CYS A 57 -3.787 -6.461 0.513 1.00 0.00 C ATOM 925 SG CYS A 57 -3.784 -6.872 -1.262 1.00 0.00 S ATOM 0 H CYS A 57 -4.969 -8.619 0.660 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.326 -7.933 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.798 -6.181 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.154 -5.588 0.674 1.00 0.00 H new ATOM 930 N CYS A 58 -1.932 -6.869 3.281 1.00 0.00 N ATOM 931 CA CYS A 58 -1.666 -6.389 4.633 1.00 0.00 C ATOM 932 C CYS A 58 -0.527 -5.375 4.635 1.00 0.00 C ATOM 933 O CYS A 58 0.272 -5.320 3.700 1.00 0.00 O ATOM 934 CB CYS A 58 -1.324 -7.560 5.555 1.00 0.00 C ATOM 935 SG CYS A 58 -2.761 -8.317 6.350 1.00 0.00 S ATOM 0 H CYS A 58 -1.097 -7.011 2.712 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.567 -5.898 5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.798 -8.321 4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.636 -7.213 6.326 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.371 -9.299 7.108 1.00 0.00 H new ATOM 941 N VAL A 59 -0.459 -4.571 5.692 1.00 0.00 N ATOM 942 CA VAL A 59 0.582 -3.558 5.816 1.00 0.00 C ATOM 943 C VAL A 59 1.446 -3.805 7.048 1.00 0.00 C ATOM 944 O VAL A 59 0.942 -4.184 8.105 1.00 0.00 O ATOM 945 CB VAL A 59 -0.019 -2.143 5.900 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.887 -2.004 7.141 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.083 -1.094 5.891 1.00 0.00 C ATOM 0 H VAL A 59 -1.113 -4.602 6.474 1.00 0.00 H new ATOM 0 HA VAL A 59 1.201 -3.630 4.922 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.649 -1.983 5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.303 -0.997 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.699 -2.731 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.282 -2.184 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.640 -0.100 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.741 -1.250 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.659 -1.179 4.970 1.00 0.00 H new ATOM 957 N GLU A 60 2.749 -3.588 6.904 1.00 0.00 N ATOM 958 CA GLU A 60 3.683 -3.788 8.006 1.00 0.00 C ATOM 959 C GLU A 60 4.638 -2.604 8.131 1.00 0.00 C ATOM 960 O GLU A 60 4.827 -1.842 7.183 1.00 0.00 O ATOM 961 CB GLU A 60 4.478 -5.079 7.802 1.00 0.00 C ATOM 962 CG GLU A 60 5.156 -5.169 6.445 1.00 0.00 C ATOM 963 CD GLU A 60 6.413 -4.325 6.364 1.00 0.00 C ATOM 964 OE1 GLU A 60 7.482 -4.810 6.789 1.00 0.00 O ATOM 965 OE2 GLU A 60 6.327 -3.179 5.876 1.00 0.00 O ATOM 0 H GLU A 60 3.182 -3.274 6.036 1.00 0.00 H new ATOM 0 HA GLU A 60 3.106 -3.867 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.235 -5.157 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.808 -5.931 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.407 -6.209 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.457 -4.849 5.672 1.00 0.00 H new ATOM 972 N SER A 61 5.237 -2.457 9.309 1.00 0.00 N ATOM 973 CA SER A 61 6.169 -1.364 9.561 1.00 0.00 C ATOM 974 C SER A 61 7.611 -1.856 9.505 1.00 0.00 C ATOM 975 O SER A 61 8.009 -2.739 10.268 1.00 0.00 O ATOM 976 CB SER A 61 5.887 -0.729 10.925 1.00 0.00 C ATOM 977 OG SER A 61 4.605 -0.126 10.951 1.00 0.00 O ATOM 0 H SER A 61 5.093 -3.081 10.103 1.00 0.00 H new ATOM 0 HA SER A 61 6.029 -0.614 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.951 -1.489 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.649 0.019 11.146 1.00 0.00 H new ATOM 0 HG SER A 61 4.448 0.271 11.833 1.00 0.00 H new ATOM 983 N LEU A 62 8.392 -1.280 8.598 1.00 0.00 N ATOM 984 CA LEU A 62 9.792 -1.660 8.441 1.00 0.00 C ATOM 985 C LEU A 62 10.696 -0.762 9.279 1.00 0.00 C ATOM 986 O LEU A 62 10.390 0.402 9.538 1.00 0.00 O ATOM 987 CB LEU A 62 10.200 -1.581 6.969 1.00 0.00 C ATOM 988 CG LEU A 62 9.408 -2.466 6.005 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.517 -1.938 4.583 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.896 -3.906 6.080 1.00 0.00 C ATOM 0 H LEU A 62 8.080 -0.548 7.960 1.00 0.00 H new ATOM 0 HA LEU A 62 9.906 -2.687 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.105 -0.546 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.255 -1.845 6.890 1.00 0.00 H new ATOM 0 HG LEU A 62 8.359 -2.443 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.947 -2.580 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.119 -0.924 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.563 -1.930 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.321 -4.521 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.952 -3.947 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.765 -4.282 7.095 1.00 0.00 H new ATOM 1002 N PRO A 63 11.839 -1.313 9.713 1.00 0.00 N ATOM 1003 CA PRO A 63 12.814 -0.579 10.526 1.00 0.00 C ATOM 1004 C PRO A 63 13.526 0.511 9.734 1.00 0.00 C ATOM 1005 O PRO A 63 13.076 0.903 8.657 1.00 0.00 O ATOM 1006 CB PRO A 63 13.806 -1.663 10.955 1.00 0.00 C ATOM 1007 CG PRO A 63 13.701 -2.711 9.902 1.00 0.00 C ATOM 1008 CD PRO A 63 12.269 -2.696 9.443 1.00 0.00 C ATOM 0 HA PRO A 63 12.341 -0.061 11.360 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.820 -1.268 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.555 -2.063 11.938 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.378 -2.501 9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.974 -3.690 10.297 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.183 -2.944 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.664 -3.419 9.990 1.00 0.00 H new ATOM 1016 N ASP A 64 14.639 0.996 10.272 1.00 0.00 N ATOM 1017 CA ASP A 64 15.415 2.041 9.614 1.00 0.00 C ATOM 1018 C ASP A 64 16.513 1.437 8.745 1.00 0.00 C ATOM 1019 O ASP A 64 17.430 0.787 9.247 1.00 0.00 O ATOM 1020 CB ASP A 64 16.029 2.981 10.653 1.00 0.00 C ATOM 1021 CG ASP A 64 15.021 3.433 11.692 1.00 0.00 C ATOM 1022 OD1 ASP A 64 13.960 3.962 11.300 1.00 0.00 O ATOM 1023 OD2 ASP A 64 15.294 3.256 12.898 1.00 0.00 O ATOM 0 H ASP A 64 15.025 0.682 11.163 1.00 0.00 H new ATOM 0 HA ASP A 64 14.741 2.610 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.858 2.477 11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.443 3.854 10.149 1.00 0.00 H new ATOM 1028 N LYS A 65 16.413 1.654 7.438 1.00 0.00 N ATOM 1029 CA LYS A 65 17.397 1.132 6.497 1.00 0.00 C ATOM 1030 C LYS A 65 17.809 2.201 5.491 1.00 0.00 C ATOM 1031 O LYS A 65 17.008 3.060 5.121 1.00 0.00 O ATOM 1032 CB LYS A 65 16.833 -0.086 5.762 1.00 0.00 C ATOM 1033 CG LYS A 65 15.640 0.235 4.878 1.00 0.00 C ATOM 1034 CD LYS A 65 14.886 -1.022 4.481 1.00 0.00 C ATOM 1035 CE LYS A 65 13.789 -1.353 5.481 1.00 0.00 C ATOM 1036 NZ LYS A 65 14.298 -1.358 6.881 1.00 0.00 N ATOM 0 H LYS A 65 15.659 2.189 7.006 1.00 0.00 H new ATOM 0 HA LYS A 65 18.280 0.832 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.620 -0.527 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.540 -0.838 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.968 0.913 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.979 0.755 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.449 -0.888 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.582 -1.858 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.983 -0.625 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.365 -2.329 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.520 -1.588 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.050 -2.070 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.680 -0.419 7.115 1.00 0.00 H new ATOM 1050 N ASP A 66 19.061 2.142 5.051 1.00 0.00 N ATOM 1051 CA ASP A 66 19.578 3.104 4.084 1.00 0.00 C ATOM 1052 C ASP A 66 19.324 4.534 4.552 1.00 0.00 C ATOM 1053 O ASP A 66 19.033 5.418 3.748 1.00 0.00 O ATOM 1054 CB ASP A 66 18.934 2.880 2.715 1.00 0.00 C ATOM 1055 CG ASP A 66 19.718 3.533 1.593 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.953 3.352 1.549 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.096 4.223 0.759 1.00 0.00 O ATOM 0 H ASP A 66 19.737 1.438 5.348 1.00 0.00 H new ATOM 0 HA ASP A 66 20.654 2.954 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.855 1.810 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.919 3.278 2.725 1.00 0.00 H new ATOM 1062 N GLY A 67 19.435 4.752 5.859 1.00 0.00 N ATOM 1063 CA GLY A 67 19.214 6.076 6.411 1.00 0.00 C ATOM 1064 C GLY A 67 17.774 6.529 6.270 1.00 0.00 C ATOM 1065 O GLY A 67 17.508 7.656 5.851 1.00 0.00 O ATOM 0 H GLY A 67 19.674 4.036 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.491 6.078 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.867 6.790 5.909 1.00 0.00 H new ATOM 1069 N LYS A 68 16.841 5.649 6.619 1.00 0.00 N ATOM 1070 CA LYS A 68 15.421 5.964 6.529 1.00 0.00 C ATOM 1071 C LYS A 68 14.748 5.839 7.893 1.00 0.00 C ATOM 1072 O LYS A 68 15.318 5.277 8.828 1.00 0.00 O ATOM 1073 CB LYS A 68 14.734 5.036 5.524 1.00 0.00 C ATOM 1074 CG LYS A 68 14.955 5.438 4.076 1.00 0.00 C ATOM 1075 CD LYS A 68 14.092 6.627 3.690 1.00 0.00 C ATOM 1076 CE LYS A 68 13.748 6.608 2.208 1.00 0.00 C ATOM 1077 NZ LYS A 68 12.897 7.768 1.821 1.00 0.00 N ATOM 0 H LYS A 68 17.044 4.712 6.967 1.00 0.00 H new ATOM 0 HA LYS A 68 15.325 6.995 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.101 4.020 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.664 5.021 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.006 5.684 3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.727 4.595 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.174 6.618 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.616 7.552 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.667 6.620 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.229 5.680 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.258 8.184 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.918 7.448 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.921 8.483 2.576 1.00 0.00 H new ATOM 1091 N LYS A 69 13.533 6.366 7.999 1.00 0.00 N ATOM 1092 CA LYS A 69 12.782 6.312 9.247 1.00 0.00 C ATOM 1093 C LYS A 69 11.282 6.237 8.976 1.00 0.00 C ATOM 1094 O LYS A 69 10.780 6.857 8.038 1.00 0.00 O ATOM 1095 CB LYS A 69 13.094 7.538 10.108 1.00 0.00 C ATOM 1096 CG LYS A 69 14.577 7.729 10.379 1.00 0.00 C ATOM 1097 CD LYS A 69 15.254 8.498 9.257 1.00 0.00 C ATOM 1098 CE LYS A 69 15.040 9.997 9.402 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.036 10.613 10.323 1.00 0.00 N ATOM 0 H LYS A 69 13.047 6.836 7.235 1.00 0.00 H new ATOM 0 HA LYS A 69 13.083 5.412 9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.706 8.428 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.568 7.448 11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.710 8.263 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.055 6.756 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.322 8.280 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.861 8.164 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.110 10.470 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.034 10.186 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.857 11.635 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.953 10.179 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.995 10.455 9.953 1.00 0.00 H new ATOM 1113 N CYS A 70 10.574 5.478 9.804 1.00 0.00 N ATOM 1114 CA CYS A 70 9.131 5.323 9.654 1.00 0.00 C ATOM 1115 C CYS A 70 8.787 4.720 8.296 1.00 0.00 C ATOM 1116 O CYS A 70 7.933 5.236 7.573 1.00 0.00 O ATOM 1117 CB CYS A 70 8.433 6.674 9.817 1.00 0.00 C ATOM 1118 SG CYS A 70 8.215 7.190 11.536 1.00 0.00 S ATOM 0 H CYS A 70 10.975 4.960 10.586 1.00 0.00 H new ATOM 0 HA CYS A 70 8.780 4.644 10.432 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.010 7.435 9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.456 6.626 9.337 1.00 0.00 H new ATOM 0 HG CYS A 70 8.023 8.475 11.582 1.00 0.00 H new ATOM 1124 N LEU A 71 9.458 3.625 7.954 1.00 0.00 N ATOM 1125 CA LEU A 71 9.226 2.952 6.681 1.00 0.00 C ATOM 1126 C LEU A 71 8.113 1.916 6.809 1.00 0.00 C ATOM 1127 O LEU A 71 8.029 1.200 7.807 1.00 0.00 O ATOM 1128 CB LEU A 71 10.511 2.280 6.194 1.00 0.00 C ATOM 1129 CG LEU A 71 11.482 3.171 5.420 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.885 2.585 5.452 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.011 3.352 3.984 1.00 0.00 C ATOM 0 H LEU A 71 10.167 3.185 8.541 1.00 0.00 H new ATOM 0 HA LEU A 71 8.918 3.702 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.034 1.872 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.238 1.437 5.559 1.00 0.00 H new ATOM 0 HG LEU A 71 11.508 4.150 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.563 3.233 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.223 2.507 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.876 1.594 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.714 3.989 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.956 2.380 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.025 3.817 3.980 1.00 0.00 H new ATOM 1143 N PHE A 72 7.263 1.840 5.790 1.00 0.00 N ATOM 1144 CA PHE A 72 6.156 0.890 5.788 1.00 0.00 C ATOM 1145 C PHE A 72 5.964 0.282 4.402 1.00 0.00 C ATOM 1146 O PHE A 72 5.892 0.998 3.402 1.00 0.00 O ATOM 1147 CB PHE A 72 4.866 1.577 6.239 1.00 0.00 C ATOM 1148 CG PHE A 72 4.301 2.522 5.217 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.448 2.062 4.226 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.623 3.869 5.247 1.00 0.00 C ATOM 1151 CE1 PHE A 72 2.927 2.929 3.284 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.103 4.740 4.309 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.255 4.270 3.325 1.00 0.00 C ATOM 0 H PHE A 72 7.319 2.424 4.956 1.00 0.00 H new ATOM 0 HA PHE A 72 6.396 0.089 6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.120 0.816 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.059 2.125 7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.188 1.015 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.288 4.242 6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.264 2.558 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.360 5.788 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.850 4.949 2.590 1.00 0.00 H new ATOM 1163 N LEU A 73 5.884 -1.043 4.349 1.00 0.00 N ATOM 1164 CA LEU A 73 5.701 -1.749 3.086 1.00 0.00 C ATOM 1165 C LEU A 73 4.361 -2.477 3.058 1.00 0.00 C ATOM 1166 O LEU A 73 3.917 -3.022 4.069 1.00 0.00 O ATOM 1167 CB LEU A 73 6.840 -2.746 2.867 1.00 0.00 C ATOM 1168 CG LEU A 73 6.632 -3.768 1.748 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.967 -4.181 1.148 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.881 -4.984 2.270 1.00 0.00 C ATOM 0 H LEU A 73 5.943 -1.650 5.166 1.00 0.00 H new ATOM 0 HA LEU A 73 5.711 -1.013 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.751 -2.186 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.007 -3.286 3.799 1.00 0.00 H new ATOM 0 HG LEU A 73 6.033 -3.304 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.799 -4.908 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.468 -3.304 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.592 -4.627 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.742 -5.701 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.454 -5.449 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.908 -4.674 2.652 1.00 0.00 H new ATOM 1182 N VAL A 74 3.721 -2.483 1.893 1.00 0.00 N ATOM 1183 CA VAL A 74 2.432 -3.147 1.732 1.00 0.00 C ATOM 1184 C VAL A 74 2.568 -4.415 0.897 1.00 0.00 C ATOM 1185 O VAL A 74 3.199 -4.411 -0.161 1.00 0.00 O ATOM 1186 CB VAL A 74 1.400 -2.216 1.068 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.106 -2.965 0.791 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.145 -0.997 1.941 1.00 0.00 C ATOM 0 H VAL A 74 4.074 -2.036 1.047 1.00 0.00 H new ATOM 0 HA VAL A 74 2.084 -3.409 2.731 1.00 0.00 H new ATOM 0 HB VAL A 74 1.804 -1.874 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.611 -2.291 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.307 -3.803 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.306 -3.338 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.414 -0.350 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.762 -1.317 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.077 -0.449 2.082 1.00 0.00 H new ATOM 1198 N LYS A 75 1.971 -5.500 1.378 1.00 0.00 N ATOM 1199 CA LYS A 75 2.023 -6.777 0.675 1.00 0.00 C ATOM 1200 C LYS A 75 0.630 -7.211 0.232 1.00 0.00 C ATOM 1201 O LYS A 75 -0.356 -6.979 0.933 1.00 0.00 O ATOM 1202 CB LYS A 75 2.642 -7.851 1.573 1.00 0.00 C ATOM 1203 CG LYS A 75 1.969 -7.973 2.929 1.00 0.00 C ATOM 1204 CD LYS A 75 2.932 -8.489 3.985 1.00 0.00 C ATOM 1205 CE LYS A 75 2.617 -7.911 5.356 1.00 0.00 C ATOM 1206 NZ LYS A 75 2.968 -8.858 6.451 1.00 0.00 N ATOM 0 H LYS A 75 1.445 -5.521 2.252 1.00 0.00 H new ATOM 0 HA LYS A 75 2.644 -6.651 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.590 -8.813 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.698 -7.625 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.582 -7.001 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.115 -8.647 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.879 -9.577 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.953 -8.230 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.166 -6.979 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.556 -7.668 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.738 -8.427 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.426 -9.738 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.985 -9.071 6.413 1.00 0.00 H new ATOM 1220 N CYS A 76 0.555 -7.843 -0.934 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.717 -8.311 -1.471 1.00 0.00 C ATOM 1222 C CYS A 76 -0.608 -9.755 -1.951 1.00 0.00 C ATOM 1223 O CYS A 76 0.468 -10.353 -1.914 1.00 0.00 O ATOM 1224 CB CYS A 76 -1.170 -7.412 -2.624 1.00 0.00 C ATOM 1225 SG CYS A 76 -2.189 -5.994 -2.105 1.00 0.00 S ATOM 0 H CYS A 76 1.361 -8.043 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.457 -8.267 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.290 -7.040 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.736 -8.011 -3.337 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.728 -10.311 -2.400 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.759 -11.685 -2.886 1.00 0.00 C ATOM 1232 C PHE A 77 -0.415 -12.077 -3.495 1.00 0.00 C ATOM 1233 O PHE A 77 0.327 -12.877 -2.925 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.871 -11.857 -3.923 1.00 0.00 C ATOM 1235 CG PHE A 77 -4.190 -12.256 -3.326 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.378 -13.531 -2.817 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -5.243 -11.356 -3.275 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.591 -13.901 -2.267 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.457 -11.720 -2.726 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.632 -12.994 -2.222 1.00 0.00 C ATOM 0 H PHE A 77 -2.627 -9.831 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.959 -12.340 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.996 -10.922 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.567 -12.611 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.567 -14.244 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.113 -10.359 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.725 -14.898 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.269 -11.009 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.581 -13.281 -1.793 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.110 -11.508 -4.655 1.00 0.00 N ATOM 1251 CA ASP A 78 1.143 -11.796 -5.342 1.00 0.00 C ATOM 1252 C ASP A 78 1.948 -10.519 -5.563 1.00 0.00 C ATOM 1253 O ASP A 78 3.178 -10.548 -5.611 1.00 0.00 O ATOM 1254 CB ASP A 78 0.869 -12.479 -6.683 1.00 0.00 C ATOM 1255 CG ASP A 78 -0.272 -13.474 -6.604 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -1.441 -13.035 -6.572 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.004 -14.691 -6.575 1.00 0.00 O ATOM 0 H ASP A 78 -0.714 -10.844 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 78 1.727 -12.468 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.636 -11.722 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.771 -12.991 -7.018 1.00 0.00 H new ATOM 1262 N LYS A 79 1.246 -9.399 -5.696 1.00 0.00 N ATOM 1263 CA LYS A 79 1.894 -8.110 -5.912 1.00 0.00 C ATOM 1264 C LYS A 79 2.323 -7.489 -4.586 1.00 0.00 C ATOM 1265 O LYS A 79 1.731 -7.759 -3.541 1.00 0.00 O ATOM 1266 CB LYS A 79 0.951 -7.159 -6.651 1.00 0.00 C ATOM 1267 CG LYS A 79 1.057 -7.252 -8.164 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.275 -6.959 -8.835 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.288 -8.061 -8.568 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.103 -7.783 -7.353 1.00 0.00 N ATOM 0 H LYS A 79 0.228 -9.357 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 79 2.783 -8.275 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.075 -7.374 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.165 -6.136 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.808 -6.547 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.396 -8.249 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.665 -6.009 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.127 -6.852 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.946 -8.166 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.768 -9.011 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.902 -8.501 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.864 -6.841 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.113 -7.812 -7.598 1.00 0.00 H new ATOM 1284 N THR A 80 3.355 -6.653 -4.636 1.00 0.00 N ATOM 1285 CA THR A 80 3.863 -5.992 -3.440 1.00 0.00 C ATOM 1286 C THR A 80 4.225 -4.540 -3.726 1.00 0.00 C ATOM 1287 O THR A 80 4.616 -4.195 -4.841 1.00 0.00 O ATOM 1288 CB THR A 80 5.101 -6.718 -2.880 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.060 -6.925 -3.923 1.00 0.00 O ATOM 1290 CG2 THR A 80 4.713 -8.056 -2.268 1.00 0.00 C ATOM 0 H THR A 80 3.856 -6.417 -5.493 1.00 0.00 H new ATOM 0 HA THR A 80 3.065 -6.025 -2.698 1.00 0.00 H new ATOM 0 HB THR A 80 5.540 -6.094 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.845 -7.385 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.603 -8.550 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.005 -7.893 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.253 -8.685 -3.030 1.00 0.00 H new ATOM 1298 N PHE A 81 4.094 -3.691 -2.711 1.00 0.00 N ATOM 1299 CA PHE A 81 4.408 -2.274 -2.854 1.00 0.00 C ATOM 1300 C PHE A 81 5.130 -1.750 -1.616 1.00 0.00 C ATOM 1301 O PHE A 81 4.862 -2.187 -0.498 1.00 0.00 O ATOM 1302 CB PHE A 81 3.129 -1.469 -3.093 1.00 0.00 C ATOM 1303 CG PHE A 81 2.493 -1.735 -4.427 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.900 -2.958 -4.695 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.489 -0.762 -5.414 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.313 -3.206 -5.922 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.904 -1.004 -6.642 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.316 -2.228 -6.897 1.00 0.00 C ATOM 0 H PHE A 81 3.773 -3.960 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 81 5.068 -2.157 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.412 -1.700 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.358 -0.406 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.896 -3.727 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.948 0.196 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.853 -4.163 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.906 -0.237 -7.402 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.860 -2.420 -7.857 1.00 0.00 H new ATOM 1318 N GLU A 82 6.046 -0.810 -1.827 1.00 0.00 N ATOM 1319 CA GLU A 82 6.808 -0.227 -0.728 1.00 0.00 C ATOM 1320 C GLU A 82 6.749 1.297 -0.774 1.00 0.00 C ATOM 1321 O GLU A 82 7.074 1.910 -1.791 1.00 0.00 O ATOM 1322 CB GLU A 82 8.264 -0.694 -0.783 1.00 0.00 C ATOM 1323 CG GLU A 82 9.018 -0.490 0.520 1.00 0.00 C ATOM 1324 CD GLU A 82 8.603 0.778 1.242 1.00 0.00 C ATOM 1325 OE1 GLU A 82 8.763 1.871 0.660 1.00 0.00 O ATOM 1326 OE2 GLU A 82 8.118 0.675 2.388 1.00 0.00 O ATOM 0 H GLU A 82 6.278 -0.436 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 82 6.362 -0.563 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.288 -1.752 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.779 -0.157 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.848 -1.347 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.088 -0.453 0.314 1.00 0.00 H new ATOM 1333 N ILE A 83 6.332 1.900 0.334 1.00 0.00 N ATOM 1334 CA ILE A 83 6.230 3.352 0.421 1.00 0.00 C ATOM 1335 C ILE A 83 6.903 3.875 1.685 1.00 0.00 C ATOM 1336 O ILE A 83 6.902 3.211 2.722 1.00 0.00 O ATOM 1337 CB ILE A 83 4.762 3.816 0.404 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.991 3.100 -0.706 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.685 5.324 0.221 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.521 2.913 -0.398 1.00 0.00 C ATOM 0 H ILE A 83 6.059 1.406 1.184 1.00 0.00 H new ATOM 0 HA ILE A 83 6.740 3.757 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 83 4.305 3.562 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.091 3.668 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.444 2.124 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.641 5.636 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.204 5.817 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.155 5.600 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.038 2.399 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.412 2.319 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.053 3.887 -0.253 1.00 0.00 H new ATOM 1352 N SER A 84 7.476 5.071 1.593 1.00 0.00 N ATOM 1353 CA SER A 84 8.154 5.684 2.729 1.00 0.00 C ATOM 1354 C SER A 84 7.454 6.973 3.148 1.00 0.00 C ATOM 1355 O SER A 84 7.144 7.824 2.315 1.00 0.00 O ATOM 1356 CB SER A 84 9.616 5.973 2.382 1.00 0.00 C ATOM 1357 OG SER A 84 9.713 6.928 1.340 1.00 0.00 O ATOM 0 H SER A 84 7.484 5.635 0.743 1.00 0.00 H new ATOM 0 HA SER A 84 8.118 4.984 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.137 6.340 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.111 5.050 2.081 1.00 0.00 H new ATOM 0 HG SER A 84 9.155 6.646 0.585 1.00 0.00 H new ATOM 1363 N ALA A 85 7.209 7.110 4.447 1.00 0.00 N ATOM 1364 CA ALA A 85 6.548 8.296 4.979 1.00 0.00 C ATOM 1365 C ALA A 85 7.561 9.388 5.307 1.00 0.00 C ATOM 1366 O ALA A 85 8.759 9.126 5.409 1.00 0.00 O ATOM 1367 CB ALA A 85 5.736 7.937 6.215 1.00 0.00 C ATOM 0 H ALA A 85 7.458 6.415 5.150 1.00 0.00 H new ATOM 0 HA ALA A 85 5.874 8.681 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.248 8.831 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.981 7.196 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.397 7.526 6.978 1.00 0.00 H new ATOM 1373 N SER A 86 7.071 10.612 5.471 1.00 0.00 N ATOM 1374 CA SER A 86 7.934 11.746 5.783 1.00 0.00 C ATOM 1375 C SER A 86 8.123 11.886 7.291 1.00 0.00 C ATOM 1376 O SER A 86 9.188 12.289 7.759 1.00 0.00 O ATOM 1377 CB SER A 86 7.345 13.036 5.210 1.00 0.00 C ATOM 1378 OG SER A 86 6.134 13.377 5.861 1.00 0.00 O ATOM 0 H SER A 86 6.081 10.844 5.393 1.00 0.00 H new ATOM 0 HA SER A 86 8.907 11.566 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.063 13.848 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.165 12.914 4.142 1.00 0.00 H new ATOM 0 HG SER A 86 5.779 14.206 5.478 1.00 0.00 H new ATOM 1384 N ASP A 87 7.082 11.549 8.045 1.00 0.00 N ATOM 1385 CA ASP A 87 7.132 11.636 9.500 1.00 0.00 C ATOM 1386 C ASP A 87 6.280 10.543 10.139 1.00 0.00 C ATOM 1387 O ASP A 87 5.601 9.785 9.446 1.00 0.00 O ATOM 1388 CB ASP A 87 6.653 13.012 9.967 1.00 0.00 C ATOM 1389 CG ASP A 87 7.312 13.445 11.262 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.535 13.239 11.402 1.00 0.00 O ATOM 1391 OD2 ASP A 87 6.604 13.989 12.135 1.00 0.00 O ATOM 0 H ASP A 87 6.194 11.213 7.673 1.00 0.00 H new ATOM 0 HA ASP A 87 8.167 11.495 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.863 13.749 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.572 12.991 10.102 1.00 0.00 H new ATOM 1396 N LYS A 88 6.322 10.467 11.464 1.00 0.00 N ATOM 1397 CA LYS A 88 5.555 9.468 12.198 1.00 0.00 C ATOM 1398 C LYS A 88 4.062 9.622 11.928 1.00 0.00 C ATOM 1399 O LYS A 88 3.332 8.634 11.834 1.00 0.00 O ATOM 1400 CB LYS A 88 5.827 9.588 13.700 1.00 0.00 C ATOM 1401 CG LYS A 88 7.281 9.361 14.075 1.00 0.00 C ATOM 1402 CD LYS A 88 7.497 9.491 15.573 1.00 0.00 C ATOM 1403 CE LYS A 88 6.935 8.293 16.323 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.078 8.446 17.798 1.00 0.00 N ATOM 0 H LYS A 88 6.880 11.086 12.052 1.00 0.00 H new ATOM 0 HA LYS A 88 5.869 8.482 11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.524 10.579 14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.207 8.867 14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.592 8.369 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.909 10.082 13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.563 9.585 15.781 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.021 10.403 15.933 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.882 8.168 16.071 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.450 7.388 16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.683 7.610 18.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.085 8.540 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.566 9.296 18.110 1.00 0.00 H new ATOM 1418 N LYS A 89 3.613 10.866 11.801 1.00 0.00 N ATOM 1419 CA LYS A 89 2.207 11.150 11.538 1.00 0.00 C ATOM 1420 C LYS A 89 1.730 10.422 10.285 1.00 0.00 C ATOM 1421 O LYS A 89 0.872 9.542 10.354 1.00 0.00 O ATOM 1422 CB LYS A 89 1.991 12.656 11.379 1.00 0.00 C ATOM 1423 CG LYS A 89 0.571 13.103 11.684 1.00 0.00 C ATOM 1424 CD LYS A 89 0.363 13.318 13.174 1.00 0.00 C ATOM 1425 CE LYS A 89 0.872 14.681 13.617 1.00 0.00 C ATOM 1426 NZ LYS A 89 -0.027 15.781 13.168 1.00 0.00 N ATOM 0 H LYS A 89 4.203 11.695 11.876 1.00 0.00 H new ATOM 0 HA LYS A 89 1.625 10.793 12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.679 13.185 12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.243 12.945 10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.357 14.028 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.133 12.354 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.697 13.230 13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.880 12.537 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.957 14.702 14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.873 14.843 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.213 16.655 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.093 15.932 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.015 15.524 13.366 1.00 0.00 H new ATOM 1440 N LYS A 90 2.293 10.793 9.140 1.00 0.00 N ATOM 1441 CA LYS A 90 1.928 10.174 7.871 1.00 0.00 C ATOM 1442 C LYS A 90 2.070 8.657 7.945 1.00 0.00 C ATOM 1443 O LYS A 90 1.134 7.920 7.638 1.00 0.00 O ATOM 1444 CB LYS A 90 2.802 10.725 6.742 1.00 0.00 C ATOM 1445 CG LYS A 90 2.195 11.923 6.033 1.00 0.00 C ATOM 1446 CD LYS A 90 1.940 13.071 6.996 1.00 0.00 C ATOM 1447 CE LYS A 90 1.966 14.414 6.282 1.00 0.00 C ATOM 1448 NZ LYS A 90 0.619 14.800 5.777 1.00 0.00 N ATOM 0 H LYS A 90 3.004 11.520 9.065 1.00 0.00 H new ATOM 0 HA LYS A 90 0.885 10.414 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.772 11.008 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.981 9.934 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.864 12.255 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.258 11.630 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.973 12.934 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.694 13.061 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.331 15.181 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.667 14.369 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.679 15.721 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.281 14.081 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.044 14.868 6.575 1.00 0.00 H new ATOM 1462 N LYS A 91 3.247 8.198 8.356 1.00 0.00 N ATOM 1463 CA LYS A 91 3.512 6.769 8.473 1.00 0.00 C ATOM 1464 C LYS A 91 2.362 6.058 9.180 1.00 0.00 C ATOM 1465 O LYS A 91 1.657 5.249 8.577 1.00 0.00 O ATOM 1466 CB LYS A 91 4.818 6.532 9.236 1.00 0.00 C ATOM 1467 CG LYS A 91 5.223 5.070 9.308 1.00 0.00 C ATOM 1468 CD LYS A 91 4.462 4.334 10.398 1.00 0.00 C ATOM 1469 CE LYS A 91 5.231 3.117 10.891 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.455 3.503 11.647 1.00 0.00 N ATOM 0 H LYS A 91 4.033 8.795 8.614 1.00 0.00 H new ATOM 0 HA LYS A 91 3.606 6.359 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.617 7.099 8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.713 6.922 10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.036 4.592 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.294 4.997 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.275 5.010 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.490 4.021 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.585 2.513 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.510 2.495 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.285 3.042 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.576 4.535 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.360 3.202 12.638 1.00 0.00 H new ATOM 1484 N GLN A 92 2.179 6.367 10.459 1.00 0.00 N ATOM 1485 CA GLN A 92 1.113 5.758 11.246 1.00 0.00 C ATOM 1486 C GLN A 92 -0.247 5.997 10.599 1.00 0.00 C ATOM 1487 O GLN A 92 -0.910 5.057 10.163 1.00 0.00 O ATOM 1488 CB GLN A 92 1.118 6.318 12.670 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.100 5.916 13.486 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.015 4.493 14.000 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.511 3.607 13.326 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.534 4.265 15.201 1.00 0.00 N ATOM 0 H GLN A 92 2.754 7.035 10.972 1.00 0.00 H new ATOM 0 HA GLN A 92 1.293 4.684 11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.017 5.977 13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.171 7.406 12.624 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.208 6.597 14.330 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.995 6.024 12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.961 5.029 15.726 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.506 3.326 15.599 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.655 7.261 10.540 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.937 7.621 9.946 1.00 0.00 C ATOM 1503 C GLU A 93 -2.238 6.751 8.729 1.00 0.00 C ATOM 1504 O GLU A 93 -3.311 6.157 8.628 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.941 9.098 9.544 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.243 10.042 10.696 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.614 11.435 10.227 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -1.968 11.935 9.282 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.551 12.025 10.805 1.00 0.00 O ATOM 0 H GLU A 93 -0.117 8.051 10.896 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.713 7.452 10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.969 9.353 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.680 9.250 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.060 9.633 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.372 10.102 11.349 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.283 6.682 7.809 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.445 5.885 6.598 1.00 0.00 C ATOM 1518 C TRP A 94 -1.641 4.412 6.939 1.00 0.00 C ATOM 1519 O TRP A 94 -2.710 3.848 6.704 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.229 6.053 5.686 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.375 7.174 4.702 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.041 8.465 4.862 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.981 7.103 3.406 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.270 9.201 3.744 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.896 8.388 2.836 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.584 6.079 2.672 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.394 8.673 1.568 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.078 6.363 1.413 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.980 7.652 0.871 1.00 0.00 C ATOM 0 H TRP A 94 -0.389 7.168 7.878 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.334 6.239 6.075 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.654 6.230 6.299 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.059 5.123 5.144 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.541 8.851 5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.068 10.192 3.612 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.663 5.083 3.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.320 9.666 1.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.547 5.579 0.837 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.375 7.843 -0.116 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.603 3.794 7.493 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.664 2.386 7.866 1.00 0.00 C ATOM 1542 C ILE A 95 -1.999 2.048 8.521 1.00 0.00 C ATOM 1543 O ILE A 95 -2.700 1.135 8.086 1.00 0.00 O ATOM 1544 CB ILE A 95 0.478 2.010 8.829 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.830 2.127 8.123 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.275 0.601 9.366 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.960 1.446 8.863 1.00 0.00 C ATOM 0 H ILE A 95 0.289 4.246 7.693 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.558 1.810 6.946 1.00 0.00 H new ATOM 0 HB ILE A 95 0.468 2.704 9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.748 1.696 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.074 3.182 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.090 0.350 10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.673 0.549 9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.263 -0.106 8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.888 1.570 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.069 1.893 9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.738 0.384 8.968 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.344 2.791 9.567 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.596 2.570 10.281 1.00 0.00 C ATOM 1561 C GLN A 96 -4.781 2.600 9.323 1.00 0.00 C ATOM 1562 O GLN A 96 -5.720 1.815 9.455 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.779 3.627 11.372 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.114 3.262 12.690 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.035 2.488 13.613 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.093 1.259 13.562 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.760 3.204 14.463 1.00 0.00 N ATOM 0 H GLN A 96 -1.775 3.551 9.939 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.552 1.584 10.744 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.373 4.575 11.020 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.845 3.781 11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.222 2.668 12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.785 4.172 13.191 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.680 4.221 14.471 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.397 2.738 15.109 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.732 3.512 8.357 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.802 3.644 7.375 1.00 0.00 C ATOM 1578 C ALA A 97 -5.879 2.413 6.479 1.00 0.00 C ATOM 1579 O ALA A 97 -6.930 1.781 6.366 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.597 4.897 6.537 1.00 0.00 C ATOM 0 H ALA A 97 -3.963 4.170 8.233 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.747 3.730 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.403 4.983 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.599 5.773 7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.642 4.834 6.016 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.761 2.077 5.845 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.703 0.920 4.960 1.00 0.00 C ATOM 1588 C ILE A 98 -5.120 -0.352 5.689 1.00 0.00 C ATOM 1589 O ILE A 98 -5.899 -1.152 5.169 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.290 0.726 4.379 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.818 2.007 3.689 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.273 -0.444 3.406 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.314 2.174 3.687 1.00 0.00 C ATOM 0 H ILE A 98 -3.883 2.589 5.928 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.399 1.112 4.144 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.605 0.503 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.177 2.009 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.270 2.865 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.268 -0.568 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.571 -1.354 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.969 -0.249 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.052 3.103 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.950 2.204 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.855 1.335 3.164 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.598 -0.533 6.899 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.919 -1.707 7.702 1.00 0.00 C ATOM 1607 C HIS A 99 -6.421 -1.801 7.952 1.00 0.00 C ATOM 1608 O HIS A 99 -7.027 -2.856 7.760 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.170 -1.659 9.034 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.836 -3.013 9.582 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.544 -3.425 9.832 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.635 -4.049 9.931 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.562 -4.657 10.309 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.819 -5.058 10.379 1.00 0.00 N ATOM 0 H HIS A 99 -3.951 0.118 7.344 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.605 -2.592 7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.249 -1.092 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.775 -1.120 9.763 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.713 -4.076 9.869 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.697 -5.237 10.593 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.132 -5.970 10.712 1.00 0.00 H new ATOM 1623 N SER A 100 -7.015 -0.693 8.381 1.00 0.00 N ATOM 1624 CA SER A 100 -8.446 -0.652 8.661 1.00 0.00 C ATOM 1625 C SER A 100 -9.255 -0.886 7.390 1.00 0.00 C ATOM 1626 O SER A 100 -10.173 -1.707 7.366 1.00 0.00 O ATOM 1627 CB SER A 100 -8.827 0.694 9.282 1.00 0.00 C ATOM 1628 OG SER A 100 -8.059 0.956 10.444 1.00 0.00 O ATOM 0 H SER A 100 -6.528 0.189 8.543 1.00 0.00 H new ATOM 0 HA SER A 100 -8.676 -1.449 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.673 1.490 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.887 0.694 9.535 1.00 0.00 H new ATOM 0 HG SER A 100 -7.303 1.534 10.213 1.00 0.00 H new ATOM 1634 N THR A 101 -8.910 -0.158 6.333 1.00 0.00 N ATOM 1635 CA THR A 101 -9.604 -0.284 5.058 1.00 0.00 C ATOM 1636 C THR A 101 -9.718 -1.744 4.636 1.00 0.00 C ATOM 1637 O THR A 101 -10.776 -2.190 4.191 1.00 0.00 O ATOM 1638 CB THR A 101 -8.885 0.505 3.946 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.827 1.893 4.291 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.601 0.337 2.615 1.00 0.00 C ATOM 0 H THR A 101 -8.153 0.526 6.335 1.00 0.00 H new ATOM 0 HA THR A 101 -10.602 0.130 5.200 1.00 0.00 H new ATOM 0 HB THR A 101 -7.873 0.113 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.178 2.024 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.076 0.903 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.618 -0.718 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.623 0.706 2.702 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.624 -2.484 4.780 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.603 -3.895 4.415 1.00 0.00 C ATOM 1650 C ILE A 102 -9.463 -4.721 5.366 1.00 0.00 C ATOM 1651 O ILE A 102 -10.212 -5.600 4.938 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.169 -4.457 4.419 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.276 -3.642 3.480 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.173 -5.923 4.015 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.805 -3.724 3.822 1.00 0.00 C ATOM 0 H ILE A 102 -7.741 -2.130 5.147 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.009 -3.966 3.406 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.767 -4.380 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.423 -3.991 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.590 -2.598 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.152 -6.305 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.779 -6.493 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.590 -6.023 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.233 -3.123 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.645 -3.347 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.476 -4.761 3.765 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.352 -4.432 6.659 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.121 -5.147 7.671 1.00 0.00 C ATOM 1669 C HIS A 103 -11.593 -5.229 7.277 1.00 0.00 C ATOM 1670 O HIS A 103 -12.245 -6.253 7.485 1.00 0.00 O ATOM 1671 CB HIS A 103 -9.982 -4.457 9.028 1.00 0.00 C ATOM 1672 CG HIS A 103 -10.839 -5.062 10.098 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.181 -5.223 10.172 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.326 -5.586 11.266 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.451 -5.837 11.371 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.315 -6.045 12.011 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.737 -3.708 7.030 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.726 -6.160 7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.939 -4.498 9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.240 -3.404 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.279 -5.616 11.530 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.433 -6.106 11.731 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.218 -6.486 12.926 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.109 -4.146 6.708 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.505 -4.095 6.285 1.00 0.00 C ATOM 1687 C LEU A 104 -13.798 -5.172 5.245 1.00 0.00 C ATOM 1688 O LEU A 104 -14.870 -5.778 5.249 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.835 -2.715 5.714 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.526 -1.522 6.620 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.594 -0.223 5.833 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.486 -1.485 7.799 1.00 0.00 C ATOM 0 H LEU A 104 -11.583 -3.291 6.529 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.131 -4.279 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.286 -2.589 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.896 -2.691 5.465 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.513 -1.636 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.371 0.615 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.865 -0.250 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.594 -0.101 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.251 -0.630 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.509 -1.395 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.387 -2.403 8.378 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.838 -5.406 4.357 1.00 0.00 N ATOM 1705 CA LEU A 105 -12.992 -6.412 3.312 1.00 0.00 C ATOM 1706 C LEU A 105 -13.038 -7.815 3.908 1.00 0.00 C ATOM 1707 O LEU A 105 -13.669 -8.716 3.356 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.844 -6.310 2.306 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.948 -5.180 1.281 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.596 -4.921 0.634 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.992 -5.511 0.225 1.00 0.00 C ATOM 0 H LEU A 105 -11.945 -4.913 4.340 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.935 -6.225 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.913 -6.187 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.773 -7.256 1.769 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.260 -4.273 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.689 -4.114 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.874 -4.638 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.255 -5.825 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.052 -4.695 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.711 -6.430 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.963 -5.645 0.702 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.367 -7.992 5.041 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.333 -9.284 5.717 1.00 0.00 C ATOM 1725 C LYS A 106 -13.726 -9.687 6.190 1.00 0.00 C ATOM 1726 O LYS A 106 -14.151 -10.828 6.000 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.373 -9.235 6.907 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.908 -9.200 6.506 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.026 -8.738 7.654 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.790 -8.010 7.150 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.875 -7.633 8.263 1.00 0.00 N ATOM 0 H LYS A 106 -11.839 -7.257 5.511 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.980 -10.030 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.598 -8.354 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.547 -10.105 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.595 -10.193 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.779 -8.531 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.596 -8.079 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.724 -9.598 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.258 -8.645 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.092 -7.113 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.045 -7.139 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.374 -7.006 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.566 -8.490 8.764 1.00 0.00 H new