USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 Single : A 4 THR OG1 : rot 24:sc= 0.458 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= -0.0147 (180deg=-0.116) USER MOD Single : A 8 GLN : amide:sc= -1.54! X(o=-1.5!,f=-1.5) USER MOD Single : A 10 TYR OH : rot -102:sc= 0.422 USER MOD Single : A 11 SER OG : rot 180:sc= 0.131 USER MOD Single : A 13 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.8) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0146 (180deg=-0.166) USER MOD Single : A 20 SER OG : rot 56:sc= 1.18 USER MOD Single : A 21 ASN :FLIP amide:sc= -2.03 F(o=-3.1,f=-2) USER MOD Single : A 24 ASN : amide:sc= -2.01! X(o=-2!,f=-1.9) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 31 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : A 33 SER OG : rot -60:sc= 1.18 USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= -1.33 (180deg=-3.08!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0.0033) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -77:sc= 1.66 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 148:sc= 0.0314 USER MOD Single : A 83 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.8!) USER MOD Single : A 84 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-5!) USER MOD Single : A 86 THR OG1 : rot 100:sc= -1 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00271 USER MOD Single : A 89 GLN : amide:sc= -0.634 K(o=-0.63,f=-2.2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.166 -4.933 -4.386 1.00 0.00 N ATOM 37 CA ARG A 3 -16.212 -4.554 -5.417 1.00 0.00 C ATOM 38 C ARG A 3 -14.806 -4.904 -4.961 1.00 0.00 C ATOM 39 O ARG A 3 -14.446 -4.649 -3.813 1.00 0.00 O ATOM 40 CB ARG A 3 -16.323 -3.052 -5.726 1.00 0.00 C ATOM 41 CG ARG A 3 -15.219 -2.533 -6.657 1.00 0.00 C ATOM 42 CD ARG A 3 -15.648 -1.307 -7.472 1.00 0.00 C ATOM 43 NE ARG A 3 -15.959 -0.148 -6.635 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.913 0.743 -6.912 1.00 0.00 C ATOM 45 NH1 ARG A 3 -17.738 0.543 -7.930 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.058 1.825 -6.158 1.00 0.00 N ATOM 0 HA ARG A 3 -16.436 -5.104 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.293 -2.854 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.290 -2.494 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.341 -2.278 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.922 -3.330 -7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.852 -1.043 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.523 -1.562 -8.070 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.411 -0.012 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.645 -0.294 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.466 1.226 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.439 1.979 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.789 2.503 -6.374 1.00 0.00 H new ATOM 60 N THR A 4 -14.020 -5.495 -5.853 1.00 0.00 N ATOM 61 CA THR A 4 -12.684 -5.940 -5.497 1.00 0.00 C ATOM 62 C THR A 4 -11.750 -4.738 -5.359 1.00 0.00 C ATOM 63 O THR A 4 -11.592 -3.966 -6.310 1.00 0.00 O ATOM 64 CB THR A 4 -12.100 -6.931 -6.542 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.758 -6.243 -7.753 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.094 -8.033 -6.873 1.00 0.00 C ATOM 0 H THR A 4 -14.285 -5.675 -6.821 1.00 0.00 H new ATOM 0 HA THR A 4 -12.761 -6.464 -4.544 1.00 0.00 H new ATOM 0 HB THR A 4 -11.207 -7.374 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.602 -5.295 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.656 -8.710 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.337 -8.588 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.003 -7.592 -7.283 1.00 0.00 H new ATOM 74 N PRO A 5 -11.146 -4.532 -4.178 1.00 0.00 N ATOM 75 CA PRO A 5 -10.169 -3.473 -3.990 1.00 0.00 C ATOM 76 C PRO A 5 -8.879 -3.812 -4.716 1.00 0.00 C ATOM 77 O PRO A 5 -8.328 -4.904 -4.549 1.00 0.00 O ATOM 78 CB PRO A 5 -9.933 -3.415 -2.475 1.00 0.00 C ATOM 79 CG PRO A 5 -10.918 -4.358 -1.861 1.00 0.00 C ATOM 80 CD PRO A 5 -11.356 -5.306 -2.950 1.00 0.00 C ATOM 0 HA PRO A 5 -10.515 -2.518 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.911 -3.705 -2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.076 -2.403 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.465 -4.904 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.772 -3.815 -1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.766 -6.222 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.399 -5.598 -2.833 1.00 0.00 H new ATOM 88 N LYS A 6 -8.412 -2.895 -5.537 1.00 0.00 N ATOM 89 CA LYS A 6 -7.235 -3.143 -6.341 1.00 0.00 C ATOM 90 C LYS A 6 -6.018 -2.501 -5.699 1.00 0.00 C ATOM 91 O LYS A 6 -6.129 -1.496 -4.993 1.00 0.00 O ATOM 92 CB LYS A 6 -7.444 -2.607 -7.757 1.00 0.00 C ATOM 93 CG LYS A 6 -6.439 -3.135 -8.768 1.00 0.00 C ATOM 94 CD LYS A 6 -6.747 -2.636 -10.170 1.00 0.00 C ATOM 95 CE LYS A 6 -8.166 -2.991 -10.594 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.428 -4.454 -10.512 1.00 0.00 N ATOM 0 H LYS A 6 -8.829 -1.973 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.066 -4.218 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.449 -2.866 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.386 -1.519 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.435 -2.823 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.449 -4.225 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.615 -1.555 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.037 -3.069 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.876 -2.460 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.334 -2.650 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.361 -4.663 -10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.695 -4.968 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.410 -4.755 -9.517 1.00 0.00 H new ATOM 110 N ILE A 7 -4.860 -3.087 -5.952 1.00 0.00 N ATOM 111 CA ILE A 7 -3.635 -2.666 -5.291 1.00 0.00 C ATOM 112 C ILE A 7 -2.860 -1.704 -6.174 1.00 0.00 C ATOM 113 O ILE A 7 -2.458 -2.047 -7.286 1.00 0.00 O ATOM 114 CB ILE A 7 -2.712 -3.862 -4.915 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.269 -4.697 -3.754 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.333 -3.349 -4.531 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.731 -5.045 -3.855 1.00 0.00 C ATOM 0 H ILE A 7 -4.742 -3.857 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.938 -2.173 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.656 -4.505 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.696 -5.622 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.106 -4.151 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.692 -4.191 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.898 -2.810 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.419 -2.679 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.025 -5.635 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.321 -4.129 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.906 -5.623 -4.763 1.00 0.00 H new ATOM 129 N GLN A 8 -2.678 -0.496 -5.679 1.00 0.00 N ATOM 130 CA GLN A 8 -1.802 0.463 -6.319 1.00 0.00 C ATOM 131 C GLN A 8 -0.702 0.850 -5.339 1.00 0.00 C ATOM 132 O GLN A 8 -0.978 1.389 -4.269 1.00 0.00 O ATOM 133 CB GLN A 8 -2.579 1.710 -6.762 1.00 0.00 C ATOM 134 CG GLN A 8 -3.461 1.516 -7.990 1.00 0.00 C ATOM 135 CD GLN A 8 -4.759 0.782 -7.691 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.303 0.087 -8.551 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.270 0.939 -6.478 1.00 0.00 N ATOM 0 H GLN A 8 -3.129 -0.154 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.367 0.011 -7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.204 2.044 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.867 2.510 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.694 2.491 -8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.904 0.961 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.789 1.523 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.144 0.476 -6.229 1.00 0.00 H new ATOM 146 N VAL A 9 0.537 0.565 -5.700 1.00 0.00 N ATOM 147 CA VAL A 9 1.669 0.867 -4.838 1.00 0.00 C ATOM 148 C VAL A 9 2.788 1.514 -5.637 1.00 0.00 C ATOM 149 O VAL A 9 3.165 1.036 -6.711 1.00 0.00 O ATOM 150 CB VAL A 9 2.185 -0.394 -4.084 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.264 -1.600 -5.006 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.544 -0.138 -3.438 1.00 0.00 C ATOM 0 H VAL A 9 0.786 0.124 -6.585 1.00 0.00 H new ATOM 0 HA VAL A 9 1.324 1.572 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 9 1.464 -0.611 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.628 -2.462 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.274 -1.818 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.947 -1.386 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.876 -1.038 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.269 0.126 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.459 0.681 -2.724 1.00 0.00 H new ATOM 162 N TYR A 10 3.288 2.622 -5.112 1.00 0.00 N ATOM 163 CA TYR A 10 4.342 3.381 -5.759 1.00 0.00 C ATOM 164 C TYR A 10 4.990 4.327 -4.753 1.00 0.00 C ATOM 165 O TYR A 10 4.480 4.517 -3.650 1.00 0.00 O ATOM 166 CB TYR A 10 3.796 4.151 -6.980 1.00 0.00 C ATOM 167 CG TYR A 10 2.587 5.026 -6.706 1.00 0.00 C ATOM 168 CD1 TYR A 10 2.724 6.286 -6.137 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.311 4.596 -7.046 1.00 0.00 C ATOM 170 CE1 TYR A 10 1.623 7.090 -5.912 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.206 5.393 -6.821 1.00 0.00 C ATOM 172 CZ TYR A 10 0.365 6.637 -6.255 1.00 0.00 C ATOM 173 OH TYR A 10 -0.735 7.436 -6.043 1.00 0.00 O ATOM 0 H TYR A 10 2.974 3.018 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 10 5.102 2.690 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.594 4.777 -7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.535 3.431 -7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.707 6.643 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.181 3.622 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.746 8.068 -5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.779 5.041 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.207 7.136 -5.238 1.00 0.00 H new ATOM 183 N SER A 11 6.124 4.888 -5.129 1.00 0.00 N ATOM 184 CA SER A 11 6.875 5.785 -4.265 1.00 0.00 C ATOM 185 C SER A 11 6.173 7.141 -4.164 1.00 0.00 C ATOM 186 O SER A 11 5.752 7.707 -5.176 1.00 0.00 O ATOM 187 CB SER A 11 8.283 5.937 -4.861 1.00 0.00 C ATOM 188 OG SER A 11 8.219 5.842 -6.278 1.00 0.00 O ATOM 0 H SER A 11 6.552 4.736 -6.042 1.00 0.00 H new ATOM 0 HA SER A 11 6.940 5.379 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.709 6.897 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.941 5.164 -4.465 1.00 0.00 H new ATOM 0 HG SER A 11 9.119 5.941 -6.653 1.00 0.00 H new ATOM 194 N ARG A 12 6.025 7.646 -2.934 1.00 0.00 N ATOM 195 CA ARG A 12 5.320 8.907 -2.708 1.00 0.00 C ATOM 196 C ARG A 12 6.148 10.064 -3.269 1.00 0.00 C ATOM 197 O ARG A 12 5.636 10.919 -3.992 1.00 0.00 O ATOM 198 CB ARG A 12 5.047 9.081 -1.193 1.00 0.00 C ATOM 199 CG ARG A 12 3.977 10.105 -0.805 1.00 0.00 C ATOM 200 CD ARG A 12 4.372 11.530 -1.159 1.00 0.00 C ATOM 201 NE ARG A 12 5.598 11.959 -0.479 1.00 0.00 N ATOM 202 CZ ARG A 12 5.663 12.308 0.809 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.607 12.176 1.601 1.00 0.00 N ATOM 204 NH2 ARG A 12 6.802 12.776 1.309 1.00 0.00 N ATOM 0 H ARG A 12 6.382 7.203 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 12 4.360 8.900 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.756 8.113 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.981 9.364 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.042 9.856 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.790 10.040 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.513 11.607 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.558 12.205 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 12 6.459 11.993 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.733 11.805 1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.669 12.446 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.622 12.868 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.856 13.044 2.292 1.00 0.00 H new ATOM 218 N HIS A 13 7.424 10.081 -2.925 1.00 0.00 N ATOM 219 CA HIS A 13 8.367 11.041 -3.486 1.00 0.00 C ATOM 220 C HIS A 13 9.547 10.283 -4.119 1.00 0.00 C ATOM 221 O HIS A 13 9.579 9.057 -4.015 1.00 0.00 O ATOM 222 CB HIS A 13 8.846 12.018 -2.401 1.00 0.00 C ATOM 223 CG HIS A 13 7.965 13.223 -2.237 1.00 0.00 C ATOM 224 ND1 HIS A 13 8.120 14.076 -1.173 1.00 0.00 N ATOM 225 CD2 HIS A 13 6.953 13.677 -3.022 1.00 0.00 C ATOM 226 CE1 HIS A 13 7.211 15.026 -1.334 1.00 0.00 C ATOM 227 NE2 HIS A 13 6.481 14.824 -2.440 1.00 0.00 N ATOM 0 H HIS A 13 7.837 9.435 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 13 7.875 11.629 -4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.903 11.490 -1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.856 12.349 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.590 13.221 -3.931 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.075 15.858 -0.659 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.721 15.411 -2.782 1.00 0.00 H new ATOM 235 N PRO A 14 10.526 10.968 -4.778 1.00 0.00 N ATOM 236 CA PRO A 14 11.631 10.289 -5.476 1.00 0.00 C ATOM 237 C PRO A 14 12.309 9.215 -4.626 1.00 0.00 C ATOM 238 O PRO A 14 12.814 9.491 -3.535 1.00 0.00 O ATOM 239 CB PRO A 14 12.631 11.413 -5.801 1.00 0.00 C ATOM 240 CG PRO A 14 12.135 12.634 -5.070 1.00 0.00 C ATOM 241 CD PRO A 14 10.650 12.434 -4.898 1.00 0.00 C ATOM 0 HA PRO A 14 11.262 9.764 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.637 11.146 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.679 11.594 -6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.630 12.740 -4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.344 13.541 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.274 12.945 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.089 12.818 -5.750 1.00 0.00 H new ATOM 249 N ALA A 15 12.307 7.992 -5.137 1.00 0.00 N ATOM 250 CA ALA A 15 12.908 6.867 -4.444 1.00 0.00 C ATOM 251 C ALA A 15 14.417 6.866 -4.625 1.00 0.00 C ATOM 252 O ALA A 15 14.920 6.643 -5.728 1.00 0.00 O ATOM 253 CB ALA A 15 12.328 5.562 -4.957 1.00 0.00 C ATOM 0 H ALA A 15 11.891 7.755 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 15 12.684 6.964 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.788 4.727 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.251 5.551 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.528 5.470 -6.025 1.00 0.00 H new ATOM 259 N GLU A 16 15.140 7.116 -3.550 1.00 0.00 N ATOM 260 CA GLU A 16 16.585 7.108 -3.597 1.00 0.00 C ATOM 261 C GLU A 16 17.120 5.924 -2.803 1.00 0.00 C ATOM 262 O GLU A 16 16.818 5.774 -1.621 1.00 0.00 O ATOM 263 CB GLU A 16 17.131 8.420 -3.041 1.00 0.00 C ATOM 264 CG GLU A 16 18.592 8.646 -3.379 1.00 0.00 C ATOM 265 CD GLU A 16 18.819 8.776 -4.869 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.780 9.913 -5.384 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.029 7.742 -5.537 1.00 0.00 O ATOM 0 H GLU A 16 14.747 7.327 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 16 16.912 7.009 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.541 9.248 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.009 8.428 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.944 9.549 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.185 7.817 -2.994 1.00 0.00 H new ATOM 274 N ASN A 17 17.905 5.081 -3.458 1.00 0.00 N ATOM 275 CA ASN A 17 18.428 3.884 -2.806 1.00 0.00 C ATOM 276 C ASN A 17 19.608 4.273 -1.929 1.00 0.00 C ATOM 277 O ASN A 17 20.486 5.028 -2.355 1.00 0.00 O ATOM 278 CB ASN A 17 18.871 2.776 -3.794 1.00 0.00 C ATOM 279 CG ASN A 17 17.787 2.202 -4.714 1.00 0.00 C ATOM 280 OD1 ASN A 17 16.591 2.385 -4.493 1.00 0.00 O ATOM 281 ND2 ASN A 17 18.233 1.456 -5.741 1.00 0.00 N ATOM 0 H ASN A 17 18.193 5.199 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 17 17.612 3.466 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.670 3.176 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.297 1.956 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.569 1.014 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.235 1.333 -5.884 1.00 0.00 H new ATOM 288 N GLY A 18 19.623 3.763 -0.704 1.00 0.00 N ATOM 289 CA GLY A 18 20.629 4.174 0.250 1.00 0.00 C ATOM 290 C GLY A 18 20.259 5.508 0.845 1.00 0.00 C ATOM 291 O GLY A 18 21.116 6.271 1.294 1.00 0.00 O ATOM 0 H GLY A 18 18.957 3.073 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.721 3.427 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.601 4.242 -0.240 1.00 0.00 H new ATOM 295 N LYS A 19 18.963 5.780 0.839 1.00 0.00 N ATOM 296 CA LYS A 19 18.436 7.060 1.263 1.00 0.00 C ATOM 297 C LYS A 19 17.018 6.871 1.777 1.00 0.00 C ATOM 298 O LYS A 19 16.333 5.928 1.387 1.00 0.00 O ATOM 299 CB LYS A 19 18.447 8.022 0.079 1.00 0.00 C ATOM 300 CG LYS A 19 18.484 9.492 0.457 1.00 0.00 C ATOM 301 CD LYS A 19 19.794 9.864 1.142 1.00 0.00 C ATOM 302 CE LYS A 19 19.869 11.350 1.462 1.00 0.00 C ATOM 303 NZ LYS A 19 19.854 12.193 0.236 1.00 0.00 N ATOM 0 H LYS A 19 18.249 5.116 0.539 1.00 0.00 H new ATOM 0 HA LYS A 19 19.051 7.474 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.313 7.799 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.561 7.839 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.355 10.101 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.649 9.719 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.898 9.289 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.630 9.589 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.029 11.625 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.778 11.552 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.109 13.170 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.540 11.819 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.902 12.179 -0.183 1.00 0.00 H new ATOM 317 N SER A 20 16.596 7.748 2.667 1.00 0.00 N ATOM 318 CA SER A 20 15.259 7.676 3.225 1.00 0.00 C ATOM 319 C SER A 20 14.219 8.079 2.182 1.00 0.00 C ATOM 320 O SER A 20 14.428 9.011 1.401 1.00 0.00 O ATOM 321 CB SER A 20 15.160 8.574 4.457 1.00 0.00 C ATOM 322 OG SER A 20 13.842 8.616 4.979 1.00 0.00 O ATOM 0 H SER A 20 17.161 8.520 3.020 1.00 0.00 H new ATOM 0 HA SER A 20 15.058 6.647 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.843 8.212 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.479 9.583 4.197 1.00 0.00 H new ATOM 0 HG SER A 20 13.541 7.705 5.180 1.00 0.00 H new ATOM 328 N ASN A 21 13.104 7.374 2.185 1.00 0.00 N ATOM 329 CA ASN A 21 12.035 7.599 1.222 1.00 0.00 C ATOM 330 C ASN A 21 10.691 7.389 1.913 1.00 0.00 C ATOM 331 O ASN A 21 10.649 7.001 3.083 1.00 0.00 O ATOM 332 CB ASN A 21 12.193 6.615 0.042 1.00 0.00 C ATOM 333 CG ASN A 21 11.375 6.988 -1.191 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.128 8.275 -1.411 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 10.959 6.113 -1.947 1.00 0.00 N flip ATOM 0 H ASN A 21 12.911 6.628 2.854 1.00 0.00 H new ATOM 0 HA ASN A 21 12.084 8.618 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.246 6.562 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.900 5.618 0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.164 5.133 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.409 6.367 -2.768 1.00 0.00 H new ATOM 342 N PHE A 22 9.598 7.635 1.202 1.00 0.00 N ATOM 343 CA PHE A 22 8.268 7.408 1.742 1.00 0.00 C ATOM 344 C PHE A 22 7.498 6.490 0.800 1.00 0.00 C ATOM 345 O PHE A 22 7.347 6.795 -0.388 1.00 0.00 O ATOM 346 CB PHE A 22 7.494 8.719 1.893 1.00 0.00 C ATOM 347 CG PHE A 22 7.851 9.571 3.082 1.00 0.00 C ATOM 348 CD1 PHE A 22 6.954 9.712 4.130 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.054 10.254 3.143 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.251 10.515 5.216 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.357 11.056 4.230 1.00 0.00 C ATOM 352 CZ PHE A 22 8.454 11.187 5.266 1.00 0.00 C ATOM 0 H PHE A 22 9.609 7.993 0.247 1.00 0.00 H new ATOM 0 HA PHE A 22 8.374 6.954 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.644 9.311 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.431 8.484 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.010 9.188 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.763 10.160 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.542 10.616 6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.301 11.580 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.689 11.814 6.113 1.00 0.00 H new ATOM 362 N LEU A 23 7.021 5.371 1.319 1.00 0.00 N ATOM 363 CA LEU A 23 6.242 4.442 0.516 1.00 0.00 C ATOM 364 C LEU A 23 4.816 4.933 0.454 1.00 0.00 C ATOM 365 O LEU A 23 4.382 5.700 1.309 1.00 0.00 O ATOM 366 CB LEU A 23 6.263 3.043 1.125 1.00 0.00 C ATOM 367 CG LEU A 23 6.625 1.877 0.180 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.478 0.555 0.914 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.774 1.856 -1.086 1.00 0.00 C ATOM 0 H LEU A 23 7.158 5.084 2.288 1.00 0.00 H new ATOM 0 HA LEU A 23 6.676 4.390 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.973 3.043 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.279 2.843 1.550 1.00 0.00 H new ATOM 0 HG LEU A 23 7.660 2.027 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.735 -0.264 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.146 0.541 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.448 0.439 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.073 1.015 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.723 1.752 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.917 2.786 -1.636 1.00 0.00 H new ATOM 381 N ASN A 24 4.102 4.510 -0.556 1.00 0.00 N ATOM 382 CA ASN A 24 2.700 4.861 -0.680 1.00 0.00 C ATOM 383 C ASN A 24 1.903 3.685 -1.227 1.00 0.00 C ATOM 384 O ASN A 24 2.180 3.181 -2.319 1.00 0.00 O ATOM 385 CB ASN A 24 2.541 6.098 -1.575 1.00 0.00 C ATOM 386 CG ASN A 24 1.095 6.429 -1.883 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.453 7.193 -1.163 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.579 5.861 -2.959 1.00 0.00 N ATOM 0 H ASN A 24 4.462 3.922 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 24 2.309 5.102 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.007 6.954 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.077 5.933 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.388 6.050 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.148 5.234 -3.527 1.00 0.00 H new ATOM 395 N CYS A 25 0.913 3.253 -0.465 1.00 0.00 N ATOM 396 CA CYS A 25 0.072 2.139 -0.854 1.00 0.00 C ATOM 397 C CYS A 25 -1.379 2.600 -0.847 1.00 0.00 C ATOM 398 O CYS A 25 -1.898 3.045 0.181 1.00 0.00 O ATOM 399 CB CYS A 25 0.286 0.963 0.094 1.00 0.00 C ATOM 400 SG CYS A 25 -0.106 -0.660 -0.630 1.00 0.00 S ATOM 0 H CYS A 25 0.672 3.664 0.437 1.00 0.00 H new ATOM 0 HA CYS A 25 0.333 1.802 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.325 0.960 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.329 1.110 0.982 1.00 0.00 H new ATOM 405 N TYR A 26 -2.021 2.506 -2.000 1.00 0.00 N ATOM 406 CA TYR A 26 -3.344 3.065 -2.195 1.00 0.00 C ATOM 407 C TYR A 26 -4.321 1.957 -2.540 1.00 0.00 C ATOM 408 O TYR A 26 -4.353 1.479 -3.678 1.00 0.00 O ATOM 409 CB TYR A 26 -3.325 4.079 -3.344 1.00 0.00 C ATOM 410 CG TYR A 26 -3.425 5.548 -2.958 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.572 6.070 -2.368 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.396 6.431 -3.265 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.684 7.423 -2.100 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.497 7.778 -2.984 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.642 8.269 -2.406 1.00 0.00 C ATOM 416 OH TYR A 26 -3.758 9.617 -2.162 1.00 0.00 O ATOM 0 H TYR A 26 -1.639 2.041 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.651 3.561 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.403 3.937 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.150 3.847 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.388 5.409 -2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.499 6.055 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.586 7.814 -1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.679 8.443 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.933 10.071 -2.434 1.00 0.00 H new ATOM 426 N VAL A 27 -5.106 1.541 -1.569 1.00 0.00 N ATOM 427 CA VAL A 27 -6.141 0.558 -1.817 1.00 0.00 C ATOM 428 C VAL A 27 -7.494 1.216 -1.615 1.00 0.00 C ATOM 429 O VAL A 27 -7.926 1.425 -0.485 1.00 0.00 O ATOM 430 CB VAL A 27 -6.029 -0.667 -0.890 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.678 -1.870 -1.545 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.583 -0.970 -0.537 1.00 0.00 C ATOM 0 H VAL A 27 -5.048 1.866 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.023 0.201 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.552 -0.438 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.595 -2.733 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.730 -1.658 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.176 -2.086 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.543 -1.840 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.021 -1.176 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.145 -0.112 -0.027 1.00 0.00 H new ATOM 442 N SER A 28 -8.137 1.591 -2.707 1.00 0.00 N ATOM 443 CA SER A 28 -9.395 2.316 -2.626 1.00 0.00 C ATOM 444 C SER A 28 -10.337 1.918 -3.756 1.00 0.00 C ATOM 445 O SER A 28 -9.926 1.273 -4.721 1.00 0.00 O ATOM 446 CB SER A 28 -9.123 3.816 -2.669 1.00 0.00 C ATOM 447 OG SER A 28 -8.204 4.191 -1.651 1.00 0.00 O ATOM 0 H SER A 28 -7.812 1.407 -3.656 1.00 0.00 H new ATOM 0 HA SER A 28 -9.880 2.061 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.723 4.090 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.057 4.363 -2.542 1.00 0.00 H new ATOM 0 HG SER A 28 -8.042 5.156 -1.696 1.00 0.00 H new ATOM 453 N GLY A 29 -11.599 2.318 -3.628 1.00 0.00 N ATOM 454 CA GLY A 29 -12.601 1.960 -4.611 1.00 0.00 C ATOM 455 C GLY A 29 -13.429 0.783 -4.150 1.00 0.00 C ATOM 456 O GLY A 29 -13.961 0.031 -4.956 1.00 0.00 O ATOM 0 H GLY A 29 -11.945 2.887 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.252 2.814 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.115 1.717 -5.556 1.00 0.00 H new ATOM 460 N PHE A 30 -13.541 0.631 -2.844 1.00 0.00 N ATOM 461 CA PHE A 30 -14.219 -0.517 -2.260 1.00 0.00 C ATOM 462 C PHE A 30 -15.255 -0.069 -1.228 1.00 0.00 C ATOM 463 O PHE A 30 -15.406 1.125 -0.964 1.00 0.00 O ATOM 464 CB PHE A 30 -13.184 -1.409 -1.568 1.00 0.00 C ATOM 465 CG PHE A 30 -12.500 -0.693 -0.433 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.318 -0.004 -0.642 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.063 -0.676 0.833 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.714 0.687 0.389 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.458 0.007 1.864 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.285 0.690 1.644 1.00 0.00 C ATOM 0 H PHE A 30 -13.169 1.291 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.727 -1.064 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.673 -2.307 -1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.439 -1.733 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.864 -0.007 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.987 -1.205 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.794 1.225 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.905 0.006 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.812 1.228 2.452 1.00 0.00 H new ATOM 480 N HIS A 31 -15.919 -1.049 -0.617 1.00 0.00 N ATOM 481 CA HIS A 31 -16.830 -0.820 0.511 1.00 0.00 C ATOM 482 C HIS A 31 -16.832 -2.097 1.361 1.00 0.00 C ATOM 483 O HIS A 31 -16.261 -3.095 0.925 1.00 0.00 O ATOM 484 CB HIS A 31 -18.276 -0.457 0.065 1.00 0.00 C ATOM 485 CG HIS A 31 -18.395 0.822 -0.718 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.562 0.817 -2.083 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.382 2.108 -0.281 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.647 2.087 -2.444 1.00 0.00 C ATOM 489 NE2 HIS A 31 -18.543 2.906 -1.388 1.00 0.00 N ATOM 0 H HIS A 31 -15.842 -2.029 -0.889 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.477 0.039 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.670 -1.274 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.906 -0.383 0.951 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.267 2.440 0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -18.783 2.422 -3.462 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.577 3.925 -1.403 1.00 0.00 H new ATOM 497 N PRO A 32 -17.436 -2.128 2.575 1.00 0.00 N ATOM 498 CA PRO A 32 -18.137 -1.014 3.216 1.00 0.00 C ATOM 499 C PRO A 32 -17.214 -0.153 4.085 1.00 0.00 C ATOM 500 O PRO A 32 -17.144 -0.345 5.299 1.00 0.00 O ATOM 501 CB PRO A 32 -19.180 -1.719 4.102 1.00 0.00 C ATOM 502 CG PRO A 32 -18.851 -3.183 4.064 1.00 0.00 C ATOM 503 CD PRO A 32 -17.494 -3.308 3.433 1.00 0.00 C ATOM 0 HA PRO A 32 -18.558 -0.328 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -19.142 -1.339 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -20.189 -1.538 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.850 -3.605 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.597 -3.732 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.698 -3.308 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.395 -4.231 2.861 1.00 0.00 H new ATOM 511 N SER A 33 -16.457 0.727 3.429 1.00 0.00 N ATOM 512 CA SER A 33 -15.702 1.826 4.105 1.00 0.00 C ATOM 513 C SER A 33 -14.509 1.320 4.921 1.00 0.00 C ATOM 514 O SER A 33 -13.989 2.052 5.762 1.00 0.00 O ATOM 515 CB SER A 33 -16.627 2.657 5.022 1.00 0.00 C ATOM 516 OG SER A 33 -16.790 2.060 6.297 1.00 0.00 O ATOM 0 H SER A 33 -16.339 0.713 2.416 1.00 0.00 H new ATOM 0 HA SER A 33 -15.315 2.454 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.214 3.659 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.602 2.769 4.547 1.00 0.00 H new ATOM 0 HG SER A 33 -17.179 1.166 6.193 1.00 0.00 H new ATOM 522 N ASP A 34 -14.058 0.093 4.680 1.00 0.00 N ATOM 523 CA ASP A 34 -12.892 -0.415 5.407 1.00 0.00 C ATOM 524 C ASP A 34 -12.200 -1.560 4.682 1.00 0.00 C ATOM 525 O ASP A 34 -12.840 -2.459 4.136 1.00 0.00 O ATOM 526 CB ASP A 34 -13.258 -0.852 6.831 1.00 0.00 C ATOM 527 CG ASP A 34 -12.144 -1.632 7.507 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.180 -2.882 7.481 1.00 0.00 O ATOM 529 OD2 ASP A 34 -11.232 -0.998 8.075 1.00 0.00 O ATOM 0 H ASP A 34 -14.466 -0.555 4.007 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.192 0.419 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.494 0.029 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.158 -1.466 6.799 1.00 0.00 H new ATOM 534 N ILE A 35 -10.883 -1.487 4.677 1.00 0.00 N ATOM 535 CA ILE A 35 -10.030 -2.558 4.180 1.00 0.00 C ATOM 536 C ILE A 35 -8.768 -2.594 5.016 1.00 0.00 C ATOM 537 O ILE A 35 -8.396 -1.587 5.623 1.00 0.00 O ATOM 538 CB ILE A 35 -9.633 -2.396 2.686 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.166 -3.744 2.113 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.525 -1.358 2.528 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.273 -3.625 0.891 1.00 0.00 C ATOM 0 H ILE A 35 -10.367 -0.677 5.020 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.601 -3.483 4.257 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.510 -2.055 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.630 -4.290 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.042 -4.338 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.264 -1.262 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.871 -0.396 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.647 -1.674 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.988 -4.620 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.811 -3.109 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.377 -3.060 1.149 1.00 0.00 H new ATOM 553 N GLU A 36 -8.123 -3.741 5.080 1.00 0.00 N ATOM 554 CA GLU A 36 -6.882 -3.875 5.808 1.00 0.00 C ATOM 555 C GLU A 36 -5.776 -4.139 4.796 1.00 0.00 C ATOM 556 O GLU A 36 -5.888 -5.054 3.973 1.00 0.00 O ATOM 557 CB GLU A 36 -7.013 -5.049 6.790 1.00 0.00 C ATOM 558 CG GLU A 36 -6.095 -5.013 8.012 1.00 0.00 C ATOM 559 CD GLU A 36 -4.678 -5.484 7.743 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.393 -5.932 6.616 1.00 0.00 O ATOM 561 OE2 GLU A 36 -3.854 -5.435 8.687 1.00 0.00 O ATOM 0 H GLU A 36 -8.443 -4.600 4.632 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.650 -2.973 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.045 -5.091 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.822 -5.974 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.060 -3.993 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.529 -5.633 8.796 1.00 0.00 H new ATOM 568 N VAL A 37 -4.740 -3.327 4.828 1.00 0.00 N ATOM 569 CA VAL A 37 -3.623 -3.487 3.910 1.00 0.00 C ATOM 570 C VAL A 37 -2.308 -3.324 4.655 1.00 0.00 C ATOM 571 O VAL A 37 -2.160 -2.448 5.506 1.00 0.00 O ATOM 572 CB VAL A 37 -3.710 -2.536 2.676 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.778 -1.487 2.888 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.365 -1.882 2.334 1.00 0.00 C ATOM 0 H VAL A 37 -4.645 -2.548 5.479 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.674 -4.498 3.506 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.983 -3.153 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.824 -0.833 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.743 -1.974 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.538 -0.897 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.486 -1.232 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.020 -1.293 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.632 -2.656 2.107 1.00 0.00 H new ATOM 584 N ASP A 38 -1.375 -4.191 4.334 1.00 0.00 N ATOM 585 CA ASP A 38 -0.106 -4.249 5.030 1.00 0.00 C ATOM 586 C ASP A 38 1.053 -4.212 4.041 1.00 0.00 C ATOM 587 O ASP A 38 0.927 -4.663 2.907 1.00 0.00 O ATOM 588 CB ASP A 38 -0.062 -5.502 5.912 1.00 0.00 C ATOM 589 CG ASP A 38 1.331 -6.027 6.120 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.135 -5.310 6.745 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.610 -7.168 5.686 1.00 0.00 O ATOM 0 H ASP A 38 -1.472 -4.876 3.584 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.005 -3.375 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.506 -5.273 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.674 -6.281 5.457 1.00 0.00 H new ATOM 596 N LEU A 39 2.167 -3.652 4.474 1.00 0.00 N ATOM 597 CA LEU A 39 3.327 -3.484 3.613 1.00 0.00 C ATOM 598 C LEU A 39 4.384 -4.533 3.946 1.00 0.00 C ATOM 599 O LEU A 39 4.632 -4.833 5.110 1.00 0.00 O ATOM 600 CB LEU A 39 3.914 -2.083 3.772 1.00 0.00 C ATOM 601 CG LEU A 39 2.916 -0.924 3.681 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.642 0.402 3.818 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.128 -0.961 2.384 1.00 0.00 C ATOM 0 H LEU A 39 2.295 -3.303 5.424 1.00 0.00 H new ATOM 0 HA LEU A 39 3.011 -3.613 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.417 -2.029 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.677 -1.941 3.006 1.00 0.00 H new ATOM 0 HG LEU A 39 2.206 -1.032 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.923 1.219 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.149 0.442 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.376 0.499 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.431 -0.123 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.814 -0.890 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.573 -1.897 2.322 1.00 0.00 H new ATOM 615 N LEU A 40 5.000 -5.082 2.914 1.00 0.00 N ATOM 616 CA LEU A 40 5.937 -6.182 3.069 1.00 0.00 C ATOM 617 C LEU A 40 7.347 -5.813 2.661 1.00 0.00 C ATOM 618 O LEU A 40 7.616 -4.728 2.156 1.00 0.00 O ATOM 619 CB LEU A 40 5.522 -7.380 2.227 1.00 0.00 C ATOM 620 CG LEU A 40 4.028 -7.656 2.136 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.775 -8.818 1.193 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.458 -7.943 3.509 1.00 0.00 C ATOM 0 H LEU A 40 4.866 -4.780 1.949 1.00 0.00 H new ATOM 0 HA LEU A 40 5.921 -6.426 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.906 -7.237 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.010 -8.267 2.631 1.00 0.00 H new ATOM 0 HG LEU A 40 3.527 -6.772 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.704 -9.011 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.156 -8.572 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.283 -9.707 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.389 -8.138 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.954 -8.816 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.620 -7.082 4.158 1.00 0.00 H new ATOM 634 N LYS A 41 8.217 -6.782 2.875 1.00 0.00 N ATOM 635 CA LYS A 41 9.611 -6.712 2.494 1.00 0.00 C ATOM 636 C LYS A 41 10.084 -8.099 2.141 1.00 0.00 C ATOM 637 O LYS A 41 10.273 -8.937 3.022 1.00 0.00 O ATOM 638 CB LYS A 41 10.467 -6.172 3.613 1.00 0.00 C ATOM 639 CG LYS A 41 9.892 -4.909 4.237 1.00 0.00 C ATOM 640 CD LYS A 41 10.744 -4.414 5.400 1.00 0.00 C ATOM 641 CE LYS A 41 11.961 -3.605 4.951 1.00 0.00 C ATOM 642 NZ LYS A 41 12.929 -4.395 4.138 1.00 0.00 N ATOM 0 H LYS A 41 7.966 -7.660 3.330 1.00 0.00 H new ATOM 0 HA LYS A 41 9.702 -6.038 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.575 -6.936 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.466 -5.961 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.822 -4.128 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.878 -5.105 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.129 -3.799 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.080 -5.269 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.623 -2.748 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.472 -3.212 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.887 -4.014 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.906 -5.390 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.670 -4.333 3.133 1.00 0.00 H new ATOM 656 N ASN A 42 10.212 -8.343 0.850 1.00 0.00 N ATOM 657 CA ASN A 42 10.625 -9.644 0.311 1.00 0.00 C ATOM 658 C ASN A 42 9.533 -10.701 0.534 1.00 0.00 C ATOM 659 O ASN A 42 9.542 -11.770 -0.077 1.00 0.00 O ATOM 660 CB ASN A 42 11.946 -10.089 0.951 1.00 0.00 C ATOM 661 CG ASN A 42 12.898 -10.729 -0.040 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.816 -11.927 -0.317 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.830 -9.939 -0.560 1.00 0.00 N ATOM 0 H ASN A 42 10.032 -7.642 0.131 1.00 0.00 H new ATOM 0 HA ASN A 42 10.776 -9.538 -0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.431 -9.226 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.735 -10.797 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.513 -10.319 -1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.863 -8.952 -0.304 1.00 0.00 H new ATOM 670 N GLY A 43 8.600 -10.384 1.420 1.00 0.00 N ATOM 671 CA GLY A 43 7.494 -11.265 1.727 1.00 0.00 C ATOM 672 C GLY A 43 7.137 -11.197 3.202 1.00 0.00 C ATOM 673 O GLY A 43 6.180 -11.826 3.653 1.00 0.00 O ATOM 0 H GLY A 43 8.593 -9.509 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.627 -10.989 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.755 -12.289 1.459 1.00 0.00 H new ATOM 677 N GLU A 44 7.906 -10.405 3.947 1.00 0.00 N ATOM 678 CA GLU A 44 7.739 -10.294 5.386 1.00 0.00 C ATOM 679 C GLU A 44 7.017 -9.001 5.747 1.00 0.00 C ATOM 680 O GLU A 44 7.215 -7.977 5.100 1.00 0.00 O ATOM 681 CB GLU A 44 9.101 -10.341 6.061 1.00 0.00 C ATOM 682 CG GLU A 44 9.861 -11.622 5.783 1.00 0.00 C ATOM 683 CD GLU A 44 11.037 -11.801 6.712 1.00 0.00 C ATOM 684 OE1 GLU A 44 12.188 -11.814 6.232 1.00 0.00 O ATOM 685 OE2 GLU A 44 10.811 -11.922 7.935 1.00 0.00 O ATOM 0 H GLU A 44 8.657 -9.827 3.568 1.00 0.00 H new ATOM 0 HA GLU A 44 7.133 -11.130 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.696 -9.493 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.970 -10.230 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.186 -12.472 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.213 -11.617 4.751 1.00 0.00 H new ATOM 692 N ARG A 45 6.172 -9.066 6.768 1.00 0.00 N ATOM 693 CA ARG A 45 5.358 -7.927 7.176 1.00 0.00 C ATOM 694 C ARG A 45 6.201 -6.820 7.818 1.00 0.00 C ATOM 695 O ARG A 45 7.122 -7.097 8.589 1.00 0.00 O ATOM 696 CB ARG A 45 4.274 -8.388 8.173 1.00 0.00 C ATOM 697 CG ARG A 45 3.220 -7.320 8.448 1.00 0.00 C ATOM 698 CD ARG A 45 1.929 -7.837 9.106 1.00 0.00 C ATOM 699 NE ARG A 45 0.917 -6.781 9.101 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.362 -6.950 9.443 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.762 -8.070 10.035 1.00 0.00 N ATOM 702 NH2 ARG A 45 -1.234 -5.973 9.214 1.00 0.00 N ATOM 0 H ARG A 45 6.032 -9.903 7.333 1.00 0.00 H new ATOM 0 HA ARG A 45 4.894 -7.518 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.785 -9.280 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.749 -8.671 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.657 -6.556 9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.961 -6.835 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.560 -8.710 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.132 -8.154 10.129 1.00 0.00 H new ATOM 0 HE ARG A 45 1.210 -5.847 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.089 -8.811 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.742 -8.189 10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.923 -5.104 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.214 -6.093 9.472 1.00 0.00 H new ATOM 716 N ILE A 46 5.868 -5.572 7.493 1.00 0.00 N ATOM 717 CA ILE A 46 6.478 -4.407 8.117 1.00 0.00 C ATOM 718 C ILE A 46 5.621 -3.972 9.297 1.00 0.00 C ATOM 719 O ILE A 46 4.393 -4.039 9.240 1.00 0.00 O ATOM 720 CB ILE A 46 6.577 -3.206 7.145 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.388 -3.543 5.900 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.207 -2.006 7.847 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.329 -2.444 4.858 1.00 0.00 C ATOM 0 H ILE A 46 5.167 -5.344 6.789 1.00 0.00 H new ATOM 0 HA ILE A 46 7.484 -4.693 8.425 1.00 0.00 H new ATOM 0 HB ILE A 46 5.561 -2.963 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.426 -3.717 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.015 -4.471 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.270 -1.169 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.594 -1.721 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.208 -2.269 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.923 -2.733 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.294 -2.287 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.727 -1.521 5.280 1.00 0.00 H new ATOM 735 N GLU A 47 6.258 -3.531 10.363 1.00 0.00 N ATOM 736 CA GLU A 47 5.531 -3.045 11.529 1.00 0.00 C ATOM 737 C GLU A 47 5.443 -1.512 11.571 1.00 0.00 C ATOM 738 O GLU A 47 4.426 -0.968 11.995 1.00 0.00 O ATOM 739 CB GLU A 47 6.138 -3.580 12.841 1.00 0.00 C ATOM 740 CG GLU A 47 7.657 -3.609 12.908 1.00 0.00 C ATOM 741 CD GLU A 47 8.291 -4.747 12.141 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.668 -4.535 10.972 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.435 -5.845 12.715 1.00 0.00 O ATOM 0 H GLU A 47 7.274 -3.497 10.451 1.00 0.00 H new ATOM 0 HA GLU A 47 4.516 -3.431 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.769 -2.969 13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.767 -4.592 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.044 -2.666 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.962 -3.676 13.952 1.00 0.00 H new ATOM 750 N LYS A 48 6.511 -0.815 11.163 1.00 0.00 N ATOM 751 CA LYS A 48 6.539 0.658 11.143 1.00 0.00 C ATOM 752 C LYS A 48 5.457 1.294 10.265 1.00 0.00 C ATOM 753 O LYS A 48 5.327 2.515 10.239 1.00 0.00 O ATOM 754 CB LYS A 48 7.906 1.125 10.658 1.00 0.00 C ATOM 755 CG LYS A 48 9.042 0.625 11.523 1.00 0.00 C ATOM 756 CD LYS A 48 9.531 1.693 12.486 1.00 0.00 C ATOM 757 CE LYS A 48 10.450 1.125 13.567 1.00 0.00 C ATOM 758 NZ LYS A 48 10.827 2.154 14.570 1.00 0.00 N ATOM 0 H LYS A 48 7.375 -1.250 10.839 1.00 0.00 H new ATOM 0 HA LYS A 48 6.339 0.982 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.058 0.783 9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.925 2.215 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.713 -0.248 12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.867 0.303 10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.063 2.465 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.674 2.174 12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.952 0.295 14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.351 0.723 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.450 1.729 15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.325 2.934 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.970 2.520 15.031 1.00 0.00 H new ATOM 772 N VAL A 49 4.707 0.480 9.538 1.00 0.00 N ATOM 773 CA VAL A 49 3.640 0.986 8.682 1.00 0.00 C ATOM 774 C VAL A 49 2.597 1.765 9.480 1.00 0.00 C ATOM 775 O VAL A 49 2.156 1.325 10.545 1.00 0.00 O ATOM 776 CB VAL A 49 2.933 -0.157 7.937 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.850 0.395 7.019 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.943 -0.973 7.156 1.00 0.00 C ATOM 0 H VAL A 49 4.816 -0.534 9.522 1.00 0.00 H new ATOM 0 HA VAL A 49 4.114 1.654 7.963 1.00 0.00 H new ATOM 0 HB VAL A 49 2.454 -0.811 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.359 -0.428 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.115 0.940 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.300 1.068 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.431 -1.780 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.447 -0.332 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.678 -1.394 7.841 1.00 0.00 H new ATOM 788 N GLU A 50 2.201 2.915 8.954 1.00 0.00 N ATOM 789 CA GLU A 50 1.170 3.724 9.572 1.00 0.00 C ATOM 790 C GLU A 50 0.120 4.100 8.539 1.00 0.00 C ATOM 791 O GLU A 50 0.429 4.297 7.360 1.00 0.00 O ATOM 792 CB GLU A 50 1.752 4.997 10.191 1.00 0.00 C ATOM 793 CG GLU A 50 2.831 4.752 11.230 1.00 0.00 C ATOM 794 CD GLU A 50 3.339 6.040 11.843 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.410 6.528 11.424 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.657 6.586 12.736 1.00 0.00 O ATOM 0 H GLU A 50 2.584 3.308 8.094 1.00 0.00 H new ATOM 0 HA GLU A 50 0.715 3.134 10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.165 5.617 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.944 5.565 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.436 4.109 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.662 4.219 10.769 1.00 0.00 H new ATOM 803 N HIS A 51 -1.113 4.181 8.989 1.00 0.00 N ATOM 804 CA HIS A 51 -2.215 4.619 8.143 1.00 0.00 C ATOM 805 C HIS A 51 -2.786 5.936 8.647 1.00 0.00 C ATOM 806 O HIS A 51 -2.922 6.145 9.852 1.00 0.00 O ATOM 807 CB HIS A 51 -3.322 3.554 8.059 1.00 0.00 C ATOM 808 CG HIS A 51 -3.843 3.065 9.380 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.124 3.349 9.788 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.245 2.288 10.317 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.277 2.743 10.951 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.165 2.088 11.313 1.00 0.00 N ATOM 0 H HIS A 51 -1.385 3.948 9.944 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.819 4.768 7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.155 3.964 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.940 2.700 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.237 1.901 10.285 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.184 2.771 11.537 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.030 1.545 12.166 1.00 0.00 H new ATOM 820 N SER A 52 -3.075 6.832 7.713 1.00 0.00 N ATOM 821 CA SER A 52 -3.707 8.106 8.036 1.00 0.00 C ATOM 822 C SER A 52 -5.163 7.853 8.447 1.00 0.00 C ATOM 823 O SER A 52 -5.724 6.808 8.116 1.00 0.00 O ATOM 824 CB SER A 52 -3.640 9.034 6.816 1.00 0.00 C ATOM 825 OG SER A 52 -3.865 10.393 7.165 1.00 0.00 O ATOM 0 H SER A 52 -2.881 6.700 6.720 1.00 0.00 H new ATOM 0 HA SER A 52 -3.185 8.586 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.663 8.939 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.382 8.721 6.082 1.00 0.00 H new ATOM 0 HG SER A 52 -3.812 10.950 6.361 1.00 0.00 H new ATOM 973 N PHE A 62 -14.477 6.397 -0.881 1.00 0.00 N ATOM 974 CA PHE A 62 -13.619 6.775 0.230 1.00 0.00 C ATOM 975 C PHE A 62 -12.245 6.139 0.050 1.00 0.00 C ATOM 976 O PHE A 62 -12.118 5.072 -0.559 1.00 0.00 O ATOM 977 CB PHE A 62 -14.239 6.327 1.563 1.00 0.00 C ATOM 978 CG PHE A 62 -15.712 6.648 1.722 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.135 7.700 2.524 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.673 5.871 1.087 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.486 7.967 2.690 1.00 0.00 C ATOM 982 CE2 PHE A 62 -18.021 6.139 1.246 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.426 7.185 2.049 1.00 0.00 C ATOM 0 HA PHE A 62 -13.515 7.860 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.104 5.250 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.690 6.797 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.404 8.317 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.364 5.047 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.802 8.785 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.756 5.529 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.478 7.392 2.176 1.00 0.00 H new ATOM 993 N TYR A 63 -11.226 6.795 0.581 1.00 0.00 N ATOM 994 CA TYR A 63 -9.845 6.385 0.355 1.00 0.00 C ATOM 995 C TYR A 63 -9.201 5.921 1.658 1.00 0.00 C ATOM 996 O TYR A 63 -9.614 6.333 2.738 1.00 0.00 O ATOM 997 CB TYR A 63 -9.049 7.571 -0.220 1.00 0.00 C ATOM 998 CG TYR A 63 -9.789 8.348 -1.287 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.245 9.634 -1.030 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.035 7.804 -2.543 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.925 10.357 -1.988 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.715 8.524 -3.510 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.158 9.799 -3.226 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.835 10.516 -4.187 1.00 0.00 O ATOM 0 H TYR A 63 -11.328 7.618 1.175 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.836 5.555 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.788 8.248 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.114 7.199 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.064 10.077 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.690 6.805 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.273 11.356 -1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.898 8.090 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.913 9.978 -5.002 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.210 5.044 1.558 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.402 4.681 2.710 1.00 0.00 C ATOM 1016 C LEU A 64 -5.963 4.428 2.271 1.00 0.00 C ATOM 1017 O LEU A 64 -5.709 3.713 1.297 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.038 3.478 3.428 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.183 2.755 4.469 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.034 2.414 5.682 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.598 1.492 3.862 1.00 0.00 C ATOM 0 H LEU A 64 -7.949 4.573 0.692 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.371 5.499 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.950 3.820 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.336 2.752 2.672 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.366 3.404 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.422 1.899 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.433 3.331 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.858 1.768 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.989 0.979 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.406 0.836 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.978 1.754 3.004 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.033 5.047 2.988 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.628 5.043 2.607 1.00 0.00 C ATOM 1035 C LEU A 65 -2.774 4.367 3.684 1.00 0.00 C ATOM 1036 O LEU A 65 -2.874 4.698 4.866 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.165 6.489 2.406 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.081 6.731 1.346 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.837 8.224 1.188 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.776 6.029 1.693 1.00 0.00 C ATOM 0 H LEU A 65 -5.231 5.563 3.845 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.511 4.481 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.036 7.090 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.795 6.862 3.361 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.441 6.312 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.067 8.389 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.760 8.713 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.509 8.642 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.038 6.228 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.406 6.401 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.948 4.955 1.764 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.932 3.435 3.261 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.983 2.770 4.154 1.00 0.00 C ATOM 1054 C TYR A 66 0.436 3.039 3.674 1.00 0.00 C ATOM 1055 O TYR A 66 0.801 2.682 2.556 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.244 1.262 4.213 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.183 0.798 5.316 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.694 0.459 6.574 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.546 0.647 5.090 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.535 -0.015 7.568 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.386 0.183 6.078 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.880 -0.150 7.311 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.722 -0.622 8.292 1.00 0.00 O ATOM 0 H TYR A 66 -1.884 3.117 2.293 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.111 3.170 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.655 0.945 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.289 0.751 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.639 0.567 6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.954 0.898 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.138 -0.277 8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.443 0.081 5.883 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.639 -0.656 7.948 1.00 0.00 H new ATOM 1073 N TYR A 67 1.227 3.692 4.509 1.00 0.00 N ATOM 1074 CA TYR A 67 2.574 4.084 4.121 1.00 0.00 C ATOM 1075 C TYR A 67 3.572 3.831 5.242 1.00 0.00 C ATOM 1076 O TYR A 67 3.193 3.611 6.393 1.00 0.00 O ATOM 1077 CB TYR A 67 2.603 5.567 3.710 1.00 0.00 C ATOM 1078 CG TYR A 67 2.180 6.529 4.804 1.00 0.00 C ATOM 1079 CD1 TYR A 67 0.848 6.902 4.953 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.112 7.072 5.682 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.459 7.780 5.947 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.730 7.950 6.677 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.403 8.301 6.806 1.00 0.00 C ATOM 1084 OH TYR A 67 1.019 9.171 7.800 1.00 0.00 O ATOM 0 H TYR A 67 0.962 3.962 5.456 1.00 0.00 H new ATOM 0 HA TYR A 67 2.865 3.472 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.613 5.823 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.950 5.706 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.105 6.499 4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.153 6.802 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.580 8.057 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.467 8.360 7.351 1.00 0.00 H new ATOM 0 HH TYR A 67 1.805 9.444 8.318 1.00 0.00 H new ATOM 1094 N THR A 68 4.847 3.852 4.889 1.00 0.00 N ATOM 1095 CA THR A 68 5.914 3.682 5.862 1.00 0.00 C ATOM 1096 C THR A 68 7.177 4.386 5.382 1.00 0.00 C ATOM 1097 O THR A 68 7.389 4.555 4.176 1.00 0.00 O ATOM 1098 CB THR A 68 6.212 2.182 6.123 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.166 2.038 7.185 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.738 1.493 4.872 1.00 0.00 C ATOM 0 H THR A 68 5.169 3.986 3.931 1.00 0.00 H new ATOM 0 HA THR A 68 5.584 4.128 6.800 1.00 0.00 H new ATOM 0 HB THR A 68 5.274 1.708 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.343 1.086 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.936 0.444 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.995 1.564 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.660 1.977 4.550 1.00 0.00 H new ATOM 1108 N GLU A 69 7.987 4.820 6.335 1.00 0.00 N ATOM 1109 CA GLU A 69 9.270 5.432 6.035 1.00 0.00 C ATOM 1110 C GLU A 69 10.319 4.333 5.980 1.00 0.00 C ATOM 1111 O GLU A 69 10.440 3.532 6.908 1.00 0.00 O ATOM 1112 CB GLU A 69 9.608 6.488 7.104 1.00 0.00 C ATOM 1113 CG GLU A 69 10.833 7.348 6.804 1.00 0.00 C ATOM 1114 CD GLU A 69 12.145 6.649 7.089 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.400 6.319 8.263 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.938 6.452 6.145 1.00 0.00 O ATOM 0 H GLU A 69 7.775 4.758 7.331 1.00 0.00 H new ATOM 0 HA GLU A 69 9.241 5.943 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.746 7.143 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.764 5.981 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.810 7.647 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.780 8.261 7.397 1.00 0.00 H new ATOM 1123 N PHE A 70 11.050 4.287 4.884 1.00 0.00 N ATOM 1124 CA PHE A 70 11.967 3.189 4.619 1.00 0.00 C ATOM 1125 C PHE A 70 13.215 3.705 3.914 1.00 0.00 C ATOM 1126 O PHE A 70 13.197 4.784 3.319 1.00 0.00 O ATOM 1127 CB PHE A 70 11.274 2.086 3.790 1.00 0.00 C ATOM 1128 CG PHE A 70 10.829 2.503 2.406 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.431 3.799 2.145 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.809 1.585 1.371 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.029 4.177 0.881 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.401 1.952 0.101 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.012 3.252 -0.146 1.00 0.00 C ATOM 0 H PHE A 70 11.028 5.001 4.156 1.00 0.00 H new ATOM 0 HA PHE A 70 12.269 2.748 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.957 1.242 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.404 1.732 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.435 4.527 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.117 0.567 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.727 5.197 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.387 1.222 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.696 3.546 -1.136 1.00 0.00 H new ATOM 1143 N THR A 71 14.294 2.944 3.996 1.00 0.00 N ATOM 1144 CA THR A 71 15.518 3.268 3.290 1.00 0.00 C ATOM 1145 C THR A 71 15.773 2.228 2.195 1.00 0.00 C ATOM 1146 O THR A 71 16.459 1.232 2.422 1.00 0.00 O ATOM 1147 CB THR A 71 16.718 3.321 4.261 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.392 4.143 5.393 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.949 3.889 3.573 1.00 0.00 C ATOM 0 H THR A 71 14.344 2.090 4.551 1.00 0.00 H new ATOM 0 HA THR A 71 15.406 4.252 2.836 1.00 0.00 H new ATOM 0 HB THR A 71 16.935 2.304 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.155 4.172 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.780 3.916 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.214 3.260 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.737 4.899 3.224 1.00 0.00 H new ATOM 1157 N PRO A 72 15.183 2.434 1.000 1.00 0.00 N ATOM 1158 CA PRO A 72 15.313 1.517 -0.138 1.00 0.00 C ATOM 1159 C PRO A 72 16.755 1.141 -0.466 1.00 0.00 C ATOM 1160 O PRO A 72 17.682 1.952 -0.373 1.00 0.00 O ATOM 1161 CB PRO A 72 14.697 2.298 -1.319 1.00 0.00 C ATOM 1162 CG PRO A 72 14.509 3.697 -0.826 1.00 0.00 C ATOM 1163 CD PRO A 72 14.326 3.579 0.658 1.00 0.00 C ATOM 0 HA PRO A 72 14.822 0.569 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.354 2.274 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.747 1.860 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.373 4.317 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.641 4.164 -1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.636 4.486 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.285 3.399 0.924 1.00 0.00 H new ATOM 1171 N THR A 73 16.915 -0.104 -0.851 1.00 0.00 N ATOM 1172 CA THR A 73 18.173 -0.644 -1.300 1.00 0.00 C ATOM 1173 C THR A 73 17.889 -1.427 -2.565 1.00 0.00 C ATOM 1174 O THR A 73 16.727 -1.677 -2.882 1.00 0.00 O ATOM 1175 CB THR A 73 18.818 -1.581 -0.243 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.101 -2.819 -0.162 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.833 -0.929 1.133 1.00 0.00 C ATOM 0 H THR A 73 16.155 -0.784 -0.860 1.00 0.00 H new ATOM 0 HA THR A 73 18.877 0.170 -1.472 1.00 0.00 H new ATOM 0 HB THR A 73 19.844 -1.771 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.275 -2.686 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.290 -1.608 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.408 -0.004 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.811 -0.707 1.442 1.00 0.00 H new ATOM 1185 N GLU A 74 18.913 -1.791 -3.297 1.00 0.00 N ATOM 1186 CA GLU A 74 18.722 -2.611 -4.485 1.00 0.00 C ATOM 1187 C GLU A 74 18.480 -4.063 -4.104 1.00 0.00 C ATOM 1188 O GLU A 74 17.667 -4.763 -4.712 1.00 0.00 O ATOM 1189 CB GLU A 74 19.954 -2.471 -5.382 1.00 0.00 C ATOM 1190 CG GLU A 74 19.903 -3.247 -6.685 1.00 0.00 C ATOM 1191 CD GLU A 74 20.190 -4.723 -6.526 1.00 0.00 C ATOM 1192 OE1 GLU A 74 21.266 -5.068 -5.997 1.00 0.00 O ATOM 1193 OE2 GLU A 74 19.355 -5.547 -6.945 1.00 0.00 O ATOM 0 H GLU A 74 19.882 -1.539 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 74 17.841 -2.271 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.096 -1.415 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 74 20.830 -2.795 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.917 -3.124 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.624 -2.819 -7.381 1.00 0.00 H new ATOM 1200 N LYS A 75 19.161 -4.484 -3.066 1.00 0.00 N ATOM 1201 CA LYS A 75 19.223 -5.876 -2.716 1.00 0.00 C ATOM 1202 C LYS A 75 17.984 -6.342 -1.958 1.00 0.00 C ATOM 1203 O LYS A 75 17.666 -7.533 -1.961 1.00 0.00 O ATOM 1204 CB LYS A 75 20.479 -6.123 -1.896 1.00 0.00 C ATOM 1205 CG LYS A 75 21.758 -5.825 -2.663 1.00 0.00 C ATOM 1206 CD LYS A 75 22.788 -5.136 -1.789 1.00 0.00 C ATOM 1207 CE LYS A 75 23.269 -6.039 -0.665 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.123 -5.303 0.301 1.00 0.00 N ATOM 0 H LYS A 75 19.686 -3.870 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 75 19.257 -6.458 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.448 -5.505 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.493 -7.162 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.174 -6.754 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.529 -5.194 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.638 -4.832 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.358 -4.228 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.410 -6.461 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.830 -6.875 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.433 -5.950 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.956 -4.922 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.580 -4.521 0.719 1.00 0.00 H new ATOM 1222 N ASP A 76 17.284 -5.424 -1.297 1.00 0.00 N ATOM 1223 CA ASP A 76 16.075 -5.803 -0.568 1.00 0.00 C ATOM 1224 C ASP A 76 14.845 -5.412 -1.376 1.00 0.00 C ATOM 1225 O ASP A 76 14.979 -4.863 -2.466 1.00 0.00 O ATOM 1226 CB ASP A 76 16.059 -5.197 0.855 1.00 0.00 C ATOM 1227 CG ASP A 76 15.211 -3.961 1.005 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.655 -2.867 0.597 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.101 -4.091 1.572 1.00 0.00 O ATOM 0 H ASP A 76 17.525 -4.434 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 76 16.064 -6.885 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.701 -5.954 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.082 -4.956 1.144 1.00 0.00 H new ATOM 1234 N GLU A 77 13.655 -5.720 -0.870 1.00 0.00 N ATOM 1235 CA GLU A 77 12.433 -5.567 -1.654 1.00 0.00 C ATOM 1236 C GLU A 77 11.271 -5.293 -0.728 1.00 0.00 C ATOM 1237 O GLU A 77 11.254 -5.798 0.388 1.00 0.00 O ATOM 1238 CB GLU A 77 12.181 -6.854 -2.441 1.00 0.00 C ATOM 1239 CG GLU A 77 10.863 -6.888 -3.206 1.00 0.00 C ATOM 1240 CD GLU A 77 10.865 -5.947 -4.388 1.00 0.00 C ATOM 1241 OE1 GLU A 77 10.640 -4.744 -4.181 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.091 -6.416 -5.527 1.00 0.00 O ATOM 0 H GLU A 77 13.510 -6.076 0.075 1.00 0.00 H new ATOM 0 HA GLU A 77 12.539 -4.732 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.999 -6.997 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.206 -7.697 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.672 -7.904 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.047 -6.622 -2.533 1.00 0.00 H new ATOM 1249 N TYR A 78 10.317 -4.487 -1.168 1.00 0.00 N ATOM 1250 CA TYR A 78 9.143 -4.217 -0.365 1.00 0.00 C ATOM 1251 C TYR A 78 7.896 -4.450 -1.200 1.00 0.00 C ATOM 1252 O TYR A 78 7.909 -4.288 -2.417 1.00 0.00 O ATOM 1253 CB TYR A 78 9.128 -2.790 0.225 1.00 0.00 C ATOM 1254 CG TYR A 78 10.444 -2.276 0.806 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.497 -1.798 2.113 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.616 -2.248 0.060 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.676 -1.316 2.656 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.795 -1.776 0.600 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.820 -1.313 1.898 1.00 0.00 C ATOM 1260 OH TYR A 78 13.994 -0.841 2.439 1.00 0.00 O ATOM 0 H TYR A 78 10.335 -4.013 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 78 9.166 -4.902 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.809 -2.101 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.372 -2.754 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.600 -1.803 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.604 -2.602 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.695 -0.945 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.697 -1.769 0.006 1.00 0.00 H new ATOM 0 HH TYR A 78 14.751 -1.328 2.053 1.00 0.00 H new ATOM 1270 N ALA A 79 6.824 -4.844 -0.541 1.00 0.00 N ATOM 1271 CA ALA A 79 5.599 -5.238 -1.241 1.00 0.00 C ATOM 1272 C ALA A 79 4.356 -4.706 -0.539 1.00 0.00 C ATOM 1273 O ALA A 79 4.434 -4.244 0.587 1.00 0.00 O ATOM 1274 CB ALA A 79 5.535 -6.750 -1.380 1.00 0.00 C ATOM 0 H ALA A 79 6.768 -4.903 0.476 1.00 0.00 H new ATOM 0 HA ALA A 79 5.625 -4.795 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.620 -7.029 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.397 -7.100 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.542 -7.207 -0.390 1.00 0.00 H new ATOM 1280 N CYS A 80 3.226 -4.717 -1.230 1.00 0.00 N ATOM 1281 CA CYS A 80 1.955 -4.288 -0.657 1.00 0.00 C ATOM 1282 C CYS A 80 0.975 -5.458 -0.597 1.00 0.00 C ATOM 1283 O CYS A 80 0.823 -6.192 -1.570 1.00 0.00 O ATOM 1284 CB CYS A 80 1.354 -3.167 -1.503 1.00 0.00 C ATOM 1285 SG CYS A 80 1.728 -1.490 -0.907 1.00 0.00 S ATOM 0 H CYS A 80 3.162 -5.022 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 80 2.137 -3.924 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.718 -3.265 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.272 -3.294 -1.537 1.00 0.00 H new ATOM 1290 N ARG A 81 0.330 -5.628 0.547 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.660 -6.688 0.751 1.00 0.00 C ATOM 1292 C ARG A 81 -2.006 -6.073 1.117 1.00 0.00 C ATOM 1293 O ARG A 81 -2.048 -5.083 1.835 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.228 -7.578 1.916 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.968 -8.895 2.025 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.011 -9.385 3.469 1.00 0.00 C ATOM 1297 NE ARG A 81 0.263 -9.237 4.177 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.963 -10.249 4.690 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.580 -11.508 4.489 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.045 -9.994 5.414 1.00 0.00 N ATOM 0 H ARG A 81 0.475 -5.036 1.365 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.741 -7.268 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.838 -7.784 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.363 -7.025 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.984 -8.777 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.480 -9.642 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.782 -8.835 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.303 -10.435 3.479 1.00 0.00 H new ATOM 0 HE ARG A 81 0.640 -8.295 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.256 -11.705 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.122 -12.276 4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.336 -9.030 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.586 -10.762 5.810 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.100 -6.650 0.636 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.424 -6.228 1.097 1.00 0.00 C ATOM 1316 C VAL A 82 -5.315 -7.426 1.360 1.00 0.00 C ATOM 1317 O VAL A 82 -5.225 -8.454 0.683 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.145 -5.271 0.123 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.174 -4.286 -0.462 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.884 -6.021 -0.968 1.00 0.00 C ATOM 0 H VAL A 82 -3.103 -7.397 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.244 -5.679 2.021 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.894 -4.723 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.699 -3.620 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.722 -3.701 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.395 -4.822 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.376 -5.309 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.176 -6.620 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.631 -6.675 -0.518 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.148 -7.284 2.367 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.103 -8.315 2.738 1.00 0.00 C ATOM 1332 C ASN A 83 -8.534 -7.790 2.614 1.00 0.00 C ATOM 1333 O ASN A 83 -8.893 -6.813 3.278 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.865 -8.768 4.193 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.424 -9.171 4.487 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.042 -10.319 4.297 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.618 -8.241 4.985 1.00 0.00 N ATOM 0 H ASN A 83 -6.186 -6.451 2.955 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.965 -9.159 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.150 -7.960 4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.520 -9.611 4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.653 -8.475 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.963 -7.293 5.133 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.351 -8.415 1.762 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.766 -8.090 1.689 1.00 0.00 C ATOM 1346 C HIS A 84 -11.543 -9.359 1.373 1.00 0.00 C ATOM 1347 O HIS A 84 -10.954 -10.344 0.926 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.034 -7.044 0.609 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.283 -6.253 0.856 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.429 -6.496 0.144 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.515 -5.247 1.741 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.329 -5.644 0.604 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.821 -4.868 1.572 1.00 0.00 N ATOM 0 H HIS A 84 -9.052 -9.146 1.117 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.084 -7.677 2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.185 -6.363 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.110 -7.540 -0.359 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.807 -4.828 2.441 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.346 -5.581 0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.312 -4.136 2.085 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.856 -9.333 1.577 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.675 -10.518 1.368 1.00 0.00 C ATOM 1363 C VAL A 85 -13.777 -10.869 -0.112 1.00 0.00 C ATOM 1364 O VAL A 85 -14.075 -12.011 -0.463 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.099 -10.344 1.945 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.038 -10.066 3.439 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.857 -9.237 1.220 1.00 0.00 C ATOM 0 H VAL A 85 -13.372 -8.509 1.885 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.179 -11.331 1.898 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.642 -11.276 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.049 -9.946 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.551 -10.900 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.470 -9.152 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.855 -9.139 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.320 -8.295 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.939 -9.485 0.162 1.00 0.00 H new ATOM 1377 N THR A 86 -13.540 -9.890 -0.978 1.00 0.00 N ATOM 1378 CA THR A 86 -13.688 -10.099 -2.407 1.00 0.00 C ATOM 1379 C THR A 86 -12.569 -10.964 -2.943 1.00 0.00 C ATOM 1380 O THR A 86 -12.785 -11.843 -3.778 1.00 0.00 O ATOM 1381 CB THR A 86 -13.683 -8.760 -3.164 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.399 -8.136 -3.049 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.736 -7.829 -2.606 1.00 0.00 C ATOM 0 H THR A 86 -13.246 -8.950 -0.714 1.00 0.00 H new ATOM 0 HA THR A 86 -14.644 -10.600 -2.563 1.00 0.00 H new ATOM 0 HB THR A 86 -13.902 -8.961 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.882 -8.299 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.717 -6.887 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.719 -8.289 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.532 -7.639 -1.552 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.371 -10.697 -2.458 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.212 -11.441 -2.879 1.00 0.00 C ATOM 1393 C LEU A 87 -10.244 -12.816 -2.217 1.00 0.00 C ATOM 1394 O LEU A 87 -10.254 -12.912 -0.988 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.919 -10.690 -2.514 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.762 -9.302 -3.156 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.401 -8.700 -2.819 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.948 -9.380 -4.665 1.00 0.00 C ATOM 0 H LEU A 87 -11.181 -9.968 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.228 -11.558 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.877 -10.578 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.067 -11.305 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.536 -8.653 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.312 -7.718 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.305 -8.600 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.612 -9.352 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.833 -8.386 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.200 -10.050 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.945 -9.760 -4.890 1.00 0.00 H new ATOM 1410 N SER A 88 -10.280 -13.873 -3.031 1.00 0.00 N ATOM 1411 CA SER A 88 -10.321 -15.243 -2.516 1.00 0.00 C ATOM 1412 C SER A 88 -9.045 -15.551 -1.735 1.00 0.00 C ATOM 1413 O SER A 88 -8.952 -16.545 -1.019 1.00 0.00 O ATOM 1414 CB SER A 88 -10.497 -16.243 -3.658 1.00 0.00 C ATOM 1415 OG SER A 88 -11.439 -15.776 -4.613 1.00 0.00 O ATOM 0 H SER A 88 -10.282 -13.807 -4.049 1.00 0.00 H new ATOM 0 HA SER A 88 -11.175 -15.334 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.537 -16.415 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.827 -17.201 -3.257 1.00 0.00 H new ATOM 0 HG SER A 88 -11.530 -16.435 -5.332 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.069 -14.675 -1.902 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.808 -14.733 -1.195 1.00 0.00 C ATOM 1423 C GLN A 89 -6.225 -13.326 -1.228 1.00 0.00 C ATOM 1424 O GLN A 89 -6.268 -12.681 -2.280 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.836 -15.745 -1.878 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.704 -15.561 -3.393 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.776 -16.254 -4.167 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -7.277 -17.310 -3.781 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.149 -15.636 -5.259 1.00 0.00 N ATOM 0 H GLN A 89 -8.136 -13.888 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.953 -15.074 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.850 -15.648 -1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.182 -16.758 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.727 -14.496 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.733 -15.937 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.698 -14.762 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.891 -16.028 -5.839 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.744 -12.797 -0.079 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.132 -11.459 -0.021 1.00 0.00 C ATOM 1440 C PRO A 90 -4.178 -11.197 -1.173 1.00 0.00 C ATOM 1441 O PRO A 90 -3.530 -12.116 -1.688 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.378 -11.499 1.297 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.256 -12.323 2.165 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.781 -13.427 1.270 1.00 0.00 C ATOM 0 HA PRO A 90 -5.873 -10.663 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.391 -11.946 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.230 -10.500 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.702 -12.732 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.072 -11.729 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.157 -14.319 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.791 -13.729 1.549 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.060 -9.937 -1.546 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.349 -9.584 -2.749 1.00 0.00 C ATOM 1454 C LYS A 91 -2.033 -8.919 -2.415 1.00 0.00 C ATOM 1455 O LYS A 91 -1.988 -7.979 -1.623 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.172 -8.648 -3.625 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.524 -8.421 -4.973 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.460 -9.722 -5.752 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.784 -10.051 -6.423 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.781 -11.419 -7.006 1.00 0.00 N ATOM 0 H LYS A 91 -4.448 -9.146 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.163 -10.507 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.168 -9.066 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.297 -7.692 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.090 -7.679 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.519 -8.020 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.678 -9.654 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.183 -10.534 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.591 -9.967 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.985 -9.322 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.700 -11.607 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.027 -11.491 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.614 -12.117 -6.253 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.969 -9.423 -3.005 1.00 0.00 N ATOM 1475 CA ILE A 92 0.341 -8.820 -2.854 1.00 0.00 C ATOM 1476 C ILE A 92 0.833 -8.294 -4.189 1.00 0.00 C ATOM 1477 O ILE A 92 0.767 -8.985 -5.206 1.00 0.00 O ATOM 1478 CB ILE A 92 1.407 -9.800 -2.300 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.091 -10.226 -0.859 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.800 -9.181 -2.371 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.053 -11.319 -0.743 1.00 0.00 C ATOM 0 H ILE A 92 -0.985 -10.253 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 92 0.216 -8.013 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 92 1.384 -10.691 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.011 -10.564 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.746 -9.354 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.532 -9.886 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.042 -8.948 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.822 -8.266 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.108 -11.557 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.883 -10.980 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.401 -12.209 -1.268 1.00 0.00 H new ATOM 1493 N VAL A 93 1.309 -7.070 -4.175 1.00 0.00 N ATOM 1494 CA VAL A 93 1.977 -6.490 -5.318 1.00 0.00 C ATOM 1495 C VAL A 93 3.292 -5.892 -4.856 1.00 0.00 C ATOM 1496 O VAL A 93 3.340 -5.180 -3.854 1.00 0.00 O ATOM 1497 CB VAL A 93 1.125 -5.409 -6.023 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.882 -4.792 -7.191 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.197 -5.995 -6.501 1.00 0.00 C ATOM 0 H VAL A 93 1.244 -6.447 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 93 2.144 -7.281 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 93 0.916 -4.622 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.260 -4.035 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.800 -4.330 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.129 -5.568 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.782 -5.219 -6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.003 -6.805 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.754 -6.381 -5.647 1.00 0.00 H new ATOM 1509 N LYS A 94 4.347 -6.203 -5.571 1.00 0.00 N ATOM 1510 CA LYS A 94 5.671 -5.741 -5.202 1.00 0.00 C ATOM 1511 C LYS A 94 5.864 -4.290 -5.629 1.00 0.00 C ATOM 1512 O LYS A 94 5.288 -3.848 -6.626 1.00 0.00 O ATOM 1513 CB LYS A 94 6.744 -6.614 -5.833 1.00 0.00 C ATOM 1514 CG LYS A 94 6.858 -8.009 -5.238 1.00 0.00 C ATOM 1515 CD LYS A 94 8.061 -8.729 -5.825 1.00 0.00 C ATOM 1516 CE LYS A 94 8.447 -9.975 -5.036 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.458 -11.073 -5.187 1.00 0.00 N ATOM 0 H LYS A 94 4.318 -6.776 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 94 5.763 -5.808 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.539 -6.704 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.706 -6.112 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.956 -7.944 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.950 -8.576 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.843 -9.010 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.909 -8.045 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.425 -10.323 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.542 -9.718 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.766 -11.897 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.529 -10.753 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.385 -11.339 -6.190 1.00 0.00 H new ATOM 1531 N TRP A 95 6.662 -3.555 -4.868 1.00 0.00 N ATOM 1532 CA TRP A 95 6.951 -2.166 -5.177 1.00 0.00 C ATOM 1533 C TRP A 95 8.058 -2.094 -6.218 1.00 0.00 C ATOM 1534 O TRP A 95 9.117 -2.693 -6.049 1.00 0.00 O ATOM 1535 CB TRP A 95 7.378 -1.414 -3.904 1.00 0.00 C ATOM 1536 CG TRP A 95 7.707 0.028 -4.137 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.832 1.019 -4.456 1.00 0.00 C ATOM 1538 CD2 TRP A 95 8.999 0.642 -4.062 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.494 2.212 -4.584 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.827 2.009 -4.346 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.282 0.168 -3.779 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.888 2.908 -4.358 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.340 1.058 -3.795 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.135 2.419 -4.079 1.00 0.00 C ATOM 0 H TRP A 95 7.123 -3.902 -4.027 1.00 0.00 H new ATOM 0 HA TRP A 95 6.051 -1.696 -5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.577 -1.480 -3.168 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.248 -1.911 -3.474 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.769 0.885 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.063 3.106 -4.819 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.445 -0.875 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.733 3.954 -4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.338 0.702 -3.586 1.00 0.00 H new ATOM 0 HH2 TRP A 95 11.979 3.093 -4.077 1.00 0.00 H new