USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 47 THR OG1 : rot 88:sc= -0.456 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.128 K(o=-0.58,f=1.8) USER MOD Set 2.1: A 56 CYS SG : rot -110:sc= 0.591 USER MOD Set 2.2: A 80 SER OG : rot 108:sc= 1.41 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.106 K(o=-0.11,f=0.41) USER MOD Set 3.3: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.134) USER MOD Single : A 11 HIS : no HE2:sc= -5.71! C(o=-5.7!,f=-9.9!) USER MOD Single : A 13 ASN : amide:sc= -7.76! C(o=-7.8!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.0337 (180deg=-0.289) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 34:sc= 0.0762 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.4!) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.342) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.65! C(o=-3.6!,f=-6.9!) USER MOD Single : A 46 MET CE :methyl -137:sc= -0.627 (180deg=-3.81!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 23:sc= 0.0388 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 72 GLN : amide:sc=-0.00339 K(o=-0.0034,f=-0.61) USER MOD Single : A 75 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.74) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 19:sc= 0.952 USER MOD Single : A 85 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.3!) USER MOD Single : A 95 ASN : amide:sc= -0.564 K(o=-0.56,f=-2.3) USER MOD Single : A 97 SER OG : rot -112:sc= -0.669 USER MOD Single : A 102 LYS NZ :NH3+ 138:sc= 1.28 (180deg=0.517) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.387 -3.837 6.005 1.00 0.00 N ATOM 67 CA PRO A 8 8.689 -5.006 6.550 1.00 0.00 C ATOM 68 C PRO A 8 8.818 -6.230 5.650 1.00 0.00 C ATOM 69 O PRO A 8 9.456 -6.176 4.598 1.00 0.00 O ATOM 70 CB PRO A 8 7.231 -4.546 6.622 1.00 0.00 C ATOM 71 CG PRO A 8 7.117 -3.483 5.584 1.00 0.00 C ATOM 72 CD PRO A 8 8.453 -2.794 5.549 1.00 0.00 C ATOM 0 HA PRO A 8 9.101 -5.316 7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.546 -5.370 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.986 -4.161 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.873 -3.911 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.322 -2.780 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.699 -2.445 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.473 -1.923 6.204 1.00 0.00 H new ATOM 80 N LYS A 9 8.208 -7.334 6.069 1.00 0.00 N ATOM 81 CA LYS A 9 8.253 -8.572 5.300 1.00 0.00 C ATOM 82 C LYS A 9 7.178 -8.579 4.218 1.00 0.00 C ATOM 83 O LYS A 9 7.287 -9.302 3.227 1.00 0.00 O ATOM 84 CB LYS A 9 8.069 -9.777 6.225 1.00 0.00 C ATOM 85 CG LYS A 9 9.321 -10.143 7.003 1.00 0.00 C ATOM 86 CD LYS A 9 9.417 -9.364 8.304 1.00 0.00 C ATOM 87 CE LYS A 9 8.414 -9.865 9.330 1.00 0.00 C ATOM 88 NZ LYS A 9 8.666 -9.290 10.680 1.00 0.00 N ATOM 0 H LYS A 9 7.676 -7.396 6.937 1.00 0.00 H new ATOM 0 HA LYS A 9 9.229 -8.637 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.263 -9.565 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.756 -10.636 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.318 -11.212 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.201 -9.943 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.426 -9.451 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.242 -8.306 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.405 -9.606 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.462 -10.953 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.862 -9.504 11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.533 -9.705 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.780 -8.259 10.603 1.00 0.00 H new ATOM 102 N ILE A 10 6.143 -7.770 4.414 1.00 0.00 N ATOM 103 CA ILE A 10 5.050 -7.683 3.453 1.00 0.00 C ATOM 104 C ILE A 10 5.138 -6.398 2.636 1.00 0.00 C ATOM 105 O ILE A 10 5.482 -5.338 3.160 1.00 0.00 O ATOM 106 CB ILE A 10 3.679 -7.741 4.152 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.757 -7.080 5.530 1.00 0.00 C ATOM 108 CG2 ILE A 10 3.208 -9.182 4.275 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.301 -7.992 6.607 1.00 0.00 C ATOM 0 H ILE A 10 6.038 -7.166 5.229 1.00 0.00 H new ATOM 0 HA ILE A 10 5.145 -8.541 2.788 1.00 0.00 H new ATOM 0 HB ILE A 10 2.956 -7.194 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.387 -6.193 5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.762 -6.743 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.238 -9.207 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.119 -9.622 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.929 -9.752 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.328 -7.458 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.658 -8.867 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.309 -8.309 6.340 1.00 0.00 H new ATOM 121 N HIS A 11 4.823 -6.499 1.348 1.00 0.00 N ATOM 122 CA HIS A 11 4.864 -5.344 0.458 1.00 0.00 C ATOM 123 C HIS A 11 3.586 -5.251 -0.370 1.00 0.00 C ATOM 124 O HIS A 11 3.043 -6.266 -0.807 1.00 0.00 O ATOM 125 CB HIS A 11 6.080 -5.428 -0.465 1.00 0.00 C ATOM 126 CG HIS A 11 5.864 -6.302 -1.662 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.014 -5.966 -2.695 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.393 -7.504 -1.988 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.029 -6.925 -3.604 1.00 0.00 C ATOM 130 NE2 HIS A 11 5.859 -7.870 -3.199 1.00 0.00 N ATOM 0 H HIS A 11 4.537 -7.368 0.898 1.00 0.00 H new ATOM 0 HA HIS A 11 4.945 -4.446 1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.341 -4.424 -0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.931 -5.806 0.102 1.00 0.00 H new ATOM 0 HD1 HIS A 11 4.460 -5.111 -2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.103 -8.070 -1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.460 -6.935 -4.522 1.00 0.00 H new ATOM 138 N PHE A 12 3.112 -4.028 -0.582 1.00 0.00 N ATOM 139 CA PHE A 12 1.897 -3.803 -1.357 1.00 0.00 C ATOM 140 C PHE A 12 2.195 -3.822 -2.853 1.00 0.00 C ATOM 141 O PHE A 12 3.275 -3.423 -3.287 1.00 0.00 O ATOM 142 CB PHE A 12 1.260 -2.467 -0.969 1.00 0.00 C ATOM 143 CG PHE A 12 0.300 -2.572 0.182 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.949 -3.147 0.009 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.647 -2.096 1.436 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.834 -3.246 1.066 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.234 -2.192 2.496 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.477 -2.767 2.311 1.00 0.00 C ATOM 0 H PHE A 12 3.550 -3.178 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 12 1.198 -4.609 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.048 -1.759 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.736 -2.059 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.234 -3.522 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.617 -1.645 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.804 -3.698 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.049 -1.818 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.167 -2.842 3.138 1.00 0.00 H new ATOM 158 N ASN A 13 1.229 -4.289 -3.637 1.00 0.00 N ATOM 159 CA ASN A 13 1.387 -4.362 -5.085 1.00 0.00 C ATOM 160 C ASN A 13 1.873 -3.029 -5.646 1.00 0.00 C ATOM 161 O ASN A 13 2.454 -2.975 -6.730 1.00 0.00 O ATOM 162 CB ASN A 13 0.063 -4.753 -5.744 1.00 0.00 C ATOM 163 CG ASN A 13 -1.104 -3.934 -5.229 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.923 -2.993 -4.456 1.00 0.00 O ATOM 165 ND2 ASN A 13 -2.311 -4.289 -5.656 1.00 0.00 N ATOM 0 H ASN A 13 0.328 -4.623 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 13 2.134 -5.124 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.146 -4.624 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.131 -5.810 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.134 -3.775 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.414 -5.076 -6.297 1.00 0.00 H new ATOM 172 N PHE A 14 1.632 -1.956 -4.901 1.00 0.00 N ATOM 173 CA PHE A 14 2.045 -0.623 -5.324 1.00 0.00 C ATOM 174 C PHE A 14 2.445 0.229 -4.123 1.00 0.00 C ATOM 175 O PHE A 14 2.033 -0.039 -2.994 1.00 0.00 O ATOM 176 CB PHE A 14 0.916 0.063 -6.096 1.00 0.00 C ATOM 177 CG PHE A 14 -0.430 -0.082 -5.445 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.737 0.627 -4.295 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.387 -0.926 -5.984 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.975 0.496 -3.694 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.627 -1.061 -5.387 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.921 -0.349 -4.241 1.00 0.00 C ATOM 0 H PHE A 14 1.153 -1.983 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 14 2.911 -0.729 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.149 1.123 -6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.870 -0.352 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.001 1.289 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.162 -1.485 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.202 1.054 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.365 -1.723 -5.817 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.889 -0.453 -3.773 1.00 0.00 H new ATOM 192 N GLU A 15 3.250 1.257 -4.375 1.00 0.00 N ATOM 193 CA GLU A 15 3.707 2.147 -3.315 1.00 0.00 C ATOM 194 C GLU A 15 2.672 3.232 -3.032 1.00 0.00 C ATOM 195 O GLU A 15 2.315 3.480 -1.879 1.00 0.00 O ATOM 196 CB GLU A 15 5.042 2.789 -3.697 1.00 0.00 C ATOM 197 CG GLU A 15 5.514 3.846 -2.712 1.00 0.00 C ATOM 198 CD GLU A 15 5.980 3.252 -1.398 1.00 0.00 C ATOM 199 OE1 GLU A 15 5.479 2.171 -1.024 1.00 0.00 O ATOM 200 OE2 GLU A 15 6.847 3.867 -0.742 1.00 0.00 O ATOM 0 H GLU A 15 3.599 1.493 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 15 3.843 1.553 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.801 2.011 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.949 3.241 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.329 4.415 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.702 4.548 -2.521 1.00 0.00 H new ATOM 207 N LEU A 16 2.193 3.875 -4.091 1.00 0.00 N ATOM 208 CA LEU A 16 1.199 4.935 -3.958 1.00 0.00 C ATOM 209 C LEU A 16 -0.005 4.667 -4.854 1.00 0.00 C ATOM 210 O LEU A 16 0.143 4.242 -6.001 1.00 0.00 O ATOM 211 CB LEU A 16 1.818 6.289 -4.307 1.00 0.00 C ATOM 212 CG LEU A 16 0.858 7.479 -4.332 1.00 0.00 C ATOM 213 CD1 LEU A 16 0.780 8.130 -2.960 1.00 0.00 C ATOM 214 CD2 LEU A 16 1.293 8.493 -5.381 1.00 0.00 C ATOM 0 H LEU A 16 2.477 3.681 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 16 0.861 4.954 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.609 6.501 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.291 6.208 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.135 7.115 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.092 8.975 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.422 7.402 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.770 8.480 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.599 9.333 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.295 8.852 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.297 8.021 -6.364 1.00 0.00 H new ATOM 226 N LEU A 17 -1.198 4.919 -4.326 1.00 0.00 N ATOM 227 CA LEU A 17 -2.429 4.708 -5.079 1.00 0.00 C ATOM 228 C LEU A 17 -2.980 6.030 -5.604 1.00 0.00 C ATOM 229 O LEU A 17 -3.689 6.744 -4.894 1.00 0.00 O ATOM 230 CB LEU A 17 -3.475 4.018 -4.201 1.00 0.00 C ATOM 231 CG LEU A 17 -4.873 3.881 -4.805 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.893 2.789 -5.863 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.898 3.592 -3.718 1.00 0.00 C ATOM 0 H LEU A 17 -1.339 5.270 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.200 4.068 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.110 3.022 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.558 4.572 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.136 4.825 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.896 2.706 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.188 3.038 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.609 1.839 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.887 3.498 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.639 2.662 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.903 4.409 -2.996 1.00 0.00 H new ATOM 245 N ASP A 18 -2.652 6.348 -6.851 1.00 0.00 N ATOM 246 CA ASP A 18 -3.117 7.583 -7.473 1.00 0.00 C ATOM 247 C ASP A 18 -4.545 7.428 -7.987 1.00 0.00 C ATOM 248 O ASP A 18 -4.769 6.878 -9.066 1.00 0.00 O ATOM 249 CB ASP A 18 -2.188 7.982 -8.621 1.00 0.00 C ATOM 250 CG ASP A 18 -0.759 7.531 -8.392 1.00 0.00 C ATOM 251 OD1 ASP A 18 -0.533 6.308 -8.284 1.00 0.00 O ATOM 252 OD2 ASP A 18 0.134 8.401 -8.321 1.00 0.00 O ATOM 0 H ASP A 18 -2.066 5.768 -7.452 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.106 8.369 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.558 7.550 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.209 9.065 -8.742 1.00 0.00 H new ATOM 257 N ILE A 19 -5.505 7.914 -7.209 1.00 0.00 N ATOM 258 CA ILE A 19 -6.910 7.830 -7.586 1.00 0.00 C ATOM 259 C ILE A 19 -7.351 9.075 -8.348 1.00 0.00 C ATOM 260 O ILE A 19 -8.529 9.239 -8.662 1.00 0.00 O ATOM 261 CB ILE A 19 -7.814 7.649 -6.353 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.904 8.956 -5.563 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.289 6.526 -5.471 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.732 8.845 -4.302 1.00 0.00 C ATOM 0 H ILE A 19 -5.336 8.371 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.011 6.958 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.815 7.381 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.898 9.282 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.332 9.728 -6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.939 6.411 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.272 5.595 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.279 6.766 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.752 9.809 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.749 8.550 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.293 8.096 -3.643 1.00 0.00 H new ATOM 276 N GLY A 20 -6.395 9.951 -8.643 1.00 0.00 N ATOM 277 CA GLY A 20 -6.704 11.170 -9.367 1.00 0.00 C ATOM 278 C GLY A 20 -7.876 11.920 -8.766 1.00 0.00 C ATOM 279 O GLY A 20 -7.998 12.021 -7.545 1.00 0.00 O ATOM 0 H GLY A 20 -5.412 9.838 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.827 11.817 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.927 10.925 -10.406 1.00 0.00 H new ATOM 283 N LYS A 21 -8.740 12.450 -9.625 1.00 0.00 N ATOM 284 CA LYS A 21 -9.908 13.196 -9.173 1.00 0.00 C ATOM 285 C LYS A 21 -11.154 12.316 -9.185 1.00 0.00 C ATOM 286 O LYS A 21 -11.325 11.477 -10.070 1.00 0.00 O ATOM 287 CB LYS A 21 -10.130 14.424 -10.059 1.00 0.00 C ATOM 288 CG LYS A 21 -9.316 15.634 -9.636 1.00 0.00 C ATOM 289 CD LYS A 21 -9.662 16.858 -10.468 1.00 0.00 C ATOM 290 CE LYS A 21 -8.986 16.814 -11.831 1.00 0.00 C ATOM 291 NZ LYS A 21 -7.510 16.979 -11.724 1.00 0.00 N ATOM 0 H LYS A 21 -8.653 12.377 -10.639 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.725 13.523 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.878 14.169 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.188 14.685 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.498 15.846 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.254 15.412 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.743 16.917 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.355 17.759 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.211 15.865 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.394 17.601 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.123 17.247 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.293 17.723 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.082 16.083 -11.416 1.00 0.00 H new ATOM 305 N VAL A 22 -12.023 12.514 -8.198 1.00 0.00 N ATOM 306 CA VAL A 22 -13.254 11.740 -8.098 1.00 0.00 C ATOM 307 C VAL A 22 -14.447 12.641 -7.801 1.00 0.00 C ATOM 308 O VAL A 22 -14.290 13.745 -7.277 1.00 0.00 O ATOM 309 CB VAL A 22 -13.153 10.664 -7.000 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.357 9.467 -7.498 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.526 11.244 -5.742 1.00 0.00 C ATOM 0 H VAL A 22 -11.897 13.204 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.400 11.253 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.159 10.325 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.296 8.717 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.852 9.038 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.352 9.787 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.463 10.470 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.526 11.612 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.140 12.067 -5.376 1.00 0.00 H new ATOM 321 N PHE A 23 -15.641 12.164 -8.138 1.00 0.00 N ATOM 322 CA PHE A 23 -16.862 12.928 -7.909 1.00 0.00 C ATOM 323 C PHE A 23 -17.272 12.869 -6.440 1.00 0.00 C ATOM 324 O PHE A 23 -17.328 11.794 -5.841 1.00 0.00 O ATOM 325 CB PHE A 23 -17.995 12.394 -8.788 1.00 0.00 C ATOM 326 CG PHE A 23 -19.037 13.426 -9.114 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.669 14.689 -9.547 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.385 13.131 -8.988 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.626 15.640 -9.846 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.347 14.078 -9.287 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.966 15.334 -9.718 1.00 0.00 C ATOM 0 H PHE A 23 -15.789 11.252 -8.571 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.666 13.967 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.573 12.009 -9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.472 11.555 -8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.622 14.933 -9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.688 12.150 -8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.326 16.622 -10.180 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.395 13.836 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.715 16.075 -9.954 1.00 0.00 H new ATOM 341 N THR A 24 -17.557 14.033 -5.864 1.00 0.00 N ATOM 342 CA THR A 24 -17.960 14.115 -4.466 1.00 0.00 C ATOM 343 C THR A 24 -19.207 13.279 -4.203 1.00 0.00 C ATOM 344 O THR A 24 -20.136 13.260 -5.010 1.00 0.00 O ATOM 345 CB THR A 24 -18.235 15.571 -4.046 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.489 15.635 -2.638 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.423 16.140 -4.807 1.00 0.00 C ATOM 0 H THR A 24 -17.516 14.932 -6.345 1.00 0.00 H new ATOM 0 HA THR A 24 -17.132 13.723 -3.875 1.00 0.00 H new ATOM 0 HB THR A 24 -17.353 16.166 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.661 16.564 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.597 17.169 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.215 16.117 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.310 15.542 -4.598 1.00 0.00 H new ATOM 355 N GLY A 25 -19.222 12.587 -3.067 1.00 0.00 N ATOM 356 CA GLY A 25 -20.360 11.758 -2.718 1.00 0.00 C ATOM 357 C GLY A 25 -20.494 10.547 -3.620 1.00 0.00 C ATOM 358 O GLY A 25 -21.517 10.368 -4.281 1.00 0.00 O ATOM 0 H GLY A 25 -18.466 12.586 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.261 11.428 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.271 12.354 -2.777 1.00 0.00 H new ATOM 362 N SER A 26 -19.458 9.715 -3.648 1.00 0.00 N ATOM 363 CA SER A 26 -19.463 8.517 -4.480 1.00 0.00 C ATOM 364 C SER A 26 -18.658 7.398 -3.825 1.00 0.00 C ATOM 365 O SER A 26 -17.649 7.648 -3.167 1.00 0.00 O ATOM 366 CB SER A 26 -18.890 8.830 -5.864 1.00 0.00 C ATOM 367 OG SER A 26 -18.627 7.640 -6.587 1.00 0.00 O ATOM 0 H SER A 26 -18.605 9.848 -3.105 1.00 0.00 H new ATOM 0 HA SER A 26 -20.495 8.183 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.593 9.450 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.971 9.406 -5.759 1.00 0.00 H new ATOM 0 HG SER A 26 -18.263 7.866 -7.468 1.00 0.00 H new ATOM 373 N ALA A 27 -19.113 6.164 -4.012 1.00 0.00 N ATOM 374 CA ALA A 27 -18.436 5.005 -3.442 1.00 0.00 C ATOM 375 C ALA A 27 -17.475 4.382 -4.448 1.00 0.00 C ATOM 376 O ALA A 27 -17.882 3.957 -5.530 1.00 0.00 O ATOM 377 CB ALA A 27 -19.454 3.976 -2.974 1.00 0.00 C ATOM 0 H ALA A 27 -19.948 5.941 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.855 5.341 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.934 3.116 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.098 4.420 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.060 3.653 -3.820 1.00 0.00 H new ATOM 383 N HIS A 28 -16.197 4.330 -4.085 1.00 0.00 N ATOM 384 CA HIS A 28 -15.177 3.757 -4.957 1.00 0.00 C ATOM 385 C HIS A 28 -14.603 2.479 -4.355 1.00 0.00 C ATOM 386 O HIS A 28 -14.126 2.475 -3.220 1.00 0.00 O ATOM 387 CB HIS A 28 -14.057 4.769 -5.199 1.00 0.00 C ATOM 388 CG HIS A 28 -14.550 6.159 -5.457 1.00 0.00 C ATOM 389 ND1 HIS A 28 -15.220 6.519 -6.607 1.00 0.00 N ATOM 390 CD2 HIS A 28 -14.470 7.281 -4.704 1.00 0.00 C ATOM 391 CE1 HIS A 28 -15.529 7.802 -6.551 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.085 8.288 -5.406 1.00 0.00 N ATOM 0 H HIS A 28 -15.843 4.677 -3.194 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.645 3.510 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.397 4.782 -4.332 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.460 4.441 -6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -14.008 7.368 -3.732 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.055 8.359 -7.312 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.183 9.254 -5.094 1.00 0.00 H new ATOM 400 N CYS A 29 -14.654 1.395 -5.122 1.00 0.00 N ATOM 401 CA CYS A 29 -14.140 0.109 -4.663 1.00 0.00 C ATOM 402 C CYS A 29 -12.738 -0.143 -5.210 1.00 0.00 C ATOM 403 O CYS A 29 -12.564 -0.407 -6.400 1.00 0.00 O ATOM 404 CB CYS A 29 -15.078 -1.020 -5.091 1.00 0.00 C ATOM 405 SG CYS A 29 -15.313 -1.147 -6.879 1.00 0.00 S ATOM 0 H CYS A 29 -15.046 1.381 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.086 0.134 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.684 -1.966 -4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.048 -0.871 -4.618 1.00 0.00 H new ATOM 0 HG CYS A 29 -14.214 -0.811 -7.486 1.00 0.00 H new ATOM 411 N TYR A 30 -11.743 -0.058 -4.334 1.00 0.00 N ATOM 412 CA TYR A 30 -10.356 -0.272 -4.730 1.00 0.00 C ATOM 413 C TYR A 30 -9.875 -1.655 -4.301 1.00 0.00 C ATOM 414 O TYR A 30 -10.585 -2.383 -3.609 1.00 0.00 O ATOM 415 CB TYR A 30 -9.458 0.805 -4.121 1.00 0.00 C ATOM 416 CG TYR A 30 -9.881 2.214 -4.468 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.178 2.569 -5.778 1.00 0.00 C ATOM 418 CD2 TYR A 30 -9.985 3.191 -3.485 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.564 3.856 -6.099 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.372 4.480 -3.797 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.660 4.808 -5.106 1.00 0.00 C ATOM 422 OH TYR A 30 -11.045 6.090 -5.422 1.00 0.00 O ATOM 0 H TYR A 30 -11.871 0.158 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.301 -0.209 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.454 0.692 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.435 0.648 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.106 1.826 -6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.759 2.938 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.790 4.115 -7.123 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.449 5.227 -3.021 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.063 6.636 -4.608 1.00 0.00 H new ATOM 432 N GLU A 31 -8.663 -2.008 -4.717 1.00 0.00 N ATOM 433 CA GLU A 31 -8.086 -3.303 -4.376 1.00 0.00 C ATOM 434 C GLU A 31 -6.569 -3.204 -4.240 1.00 0.00 C ATOM 435 O GLU A 31 -5.873 -2.843 -5.188 1.00 0.00 O ATOM 436 CB GLU A 31 -8.447 -4.343 -5.439 1.00 0.00 C ATOM 437 CG GLU A 31 -8.113 -5.769 -5.034 1.00 0.00 C ATOM 438 CD GLU A 31 -8.701 -6.797 -5.980 1.00 0.00 C ATOM 439 OE1 GLU A 31 -9.757 -6.514 -6.583 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.104 -7.885 -6.118 1.00 0.00 O ATOM 0 H GLU A 31 -8.062 -1.416 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.500 -3.615 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.514 -4.276 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.920 -4.104 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.030 -5.889 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.485 -5.953 -4.026 1.00 0.00 H new ATOM 447 N ALA A 32 -6.065 -3.527 -3.053 1.00 0.00 N ATOM 448 CA ALA A 32 -4.632 -3.476 -2.793 1.00 0.00 C ATOM 449 C ALA A 32 -4.126 -4.808 -2.250 1.00 0.00 C ATOM 450 O ALA A 32 -4.422 -5.178 -1.113 1.00 0.00 O ATOM 451 CB ALA A 32 -4.312 -2.351 -1.820 1.00 0.00 C ATOM 0 H ALA A 32 -6.628 -3.827 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.123 -3.281 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.238 -2.325 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.630 -1.400 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.838 -2.522 -0.881 1.00 0.00 H new ATOM 457 N ILE A 33 -3.361 -5.522 -3.068 1.00 0.00 N ATOM 458 CA ILE A 33 -2.813 -6.813 -2.668 1.00 0.00 C ATOM 459 C ILE A 33 -1.546 -6.639 -1.837 1.00 0.00 C ATOM 460 O ILE A 33 -0.905 -5.588 -1.875 1.00 0.00 O ATOM 461 CB ILE A 33 -2.494 -7.692 -3.892 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.783 -8.262 -4.487 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.542 -8.814 -3.504 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.343 -7.434 -5.623 1.00 0.00 C ATOM 0 H ILE A 33 -3.106 -5.229 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.575 -7.306 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.009 -7.075 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.592 -9.273 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.533 -8.339 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.326 -9.427 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.615 -8.388 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.003 -9.432 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.256 -7.898 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.566 -6.429 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.610 -7.378 -6.428 1.00 0.00 H new ATOM 476 N LEU A 34 -1.190 -7.676 -1.089 1.00 0.00 N ATOM 477 CA LEU A 34 0.003 -7.640 -0.249 1.00 0.00 C ATOM 478 C LEU A 34 0.735 -8.978 -0.284 1.00 0.00 C ATOM 479 O LEU A 34 0.196 -10.003 0.133 1.00 0.00 O ATOM 480 CB LEU A 34 -0.374 -7.290 1.192 1.00 0.00 C ATOM 481 CG LEU A 34 0.760 -6.770 2.075 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.061 -5.314 1.755 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.408 -6.933 3.546 1.00 0.00 C ATOM 0 H LEU A 34 -1.710 -8.553 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 34 0.670 -6.872 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.163 -6.538 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.795 -8.179 1.662 1.00 0.00 H new ATOM 0 HG LEU A 34 1.654 -7.358 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.871 -4.961 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.358 -5.225 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.170 -4.711 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.227 -6.558 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.499 -6.371 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.244 -7.988 3.766 1.00 0.00 H new ATOM 495 N TYR A 35 1.966 -8.959 -0.783 1.00 0.00 N ATOM 496 CA TYR A 35 2.772 -10.171 -0.873 1.00 0.00 C ATOM 497 C TYR A 35 3.563 -10.396 0.413 1.00 0.00 C ATOM 498 O TYR A 35 4.380 -9.564 0.806 1.00 0.00 O ATOM 499 CB TYR A 35 3.728 -10.085 -2.064 1.00 0.00 C ATOM 500 CG TYR A 35 3.025 -10.046 -3.402 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.168 -9.002 -3.728 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.217 -11.053 -4.340 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.523 -8.963 -4.950 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.578 -11.021 -5.564 1.00 0.00 C ATOM 505 CZ TYR A 35 1.732 -9.974 -5.864 1.00 0.00 C ATOM 506 OH TYR A 35 1.092 -9.939 -7.082 1.00 0.00 O ATOM 0 H TYR A 35 2.427 -8.118 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 35 2.098 -11.016 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.345 -9.192 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.401 -10.942 -2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.003 -8.208 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.878 -11.875 -4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.859 -8.145 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.740 -11.811 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 35 1.348 -10.724 -7.609 1.00 0.00 H new ATOM 516 N ASN A 36 3.313 -11.528 1.063 1.00 0.00 N ATOM 517 CA ASN A 36 4.001 -11.864 2.304 1.00 0.00 C ATOM 518 C ASN A 36 5.289 -12.631 2.022 1.00 0.00 C ATOM 519 O ASN A 36 5.257 -13.800 1.634 1.00 0.00 O ATOM 520 CB ASN A 36 3.088 -12.694 3.209 1.00 0.00 C ATOM 521 CG ASN A 36 3.757 -13.070 4.517 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.497 -12.277 5.099 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.498 -14.286 4.985 1.00 0.00 N ATOM 0 H ASN A 36 2.639 -12.228 0.751 1.00 0.00 H new ATOM 0 HA ASN A 36 4.257 -10.934 2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.179 -12.131 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.788 -13.601 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.919 -14.596 5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.878 -14.910 4.468 1.00 0.00 H new ATOM 530 N LYS A 37 6.422 -11.967 2.219 1.00 0.00 N ATOM 531 CA LYS A 37 7.723 -12.585 1.988 1.00 0.00 C ATOM 532 C LYS A 37 8.267 -13.203 3.272 1.00 0.00 C ATOM 533 O LYS A 37 9.475 -13.211 3.504 1.00 0.00 O ATOM 534 CB LYS A 37 8.713 -11.551 1.447 1.00 0.00 C ATOM 535 CG LYS A 37 8.573 -11.296 -0.044 1.00 0.00 C ATOM 536 CD LYS A 37 7.238 -10.651 -0.376 1.00 0.00 C ATOM 537 CE LYS A 37 6.983 -10.639 -1.875 1.00 0.00 C ATOM 538 NZ LYS A 37 8.235 -10.414 -2.649 1.00 0.00 N ATOM 0 H LYS A 37 6.466 -10.999 2.539 1.00 0.00 H new ATOM 0 HA LYS A 37 7.596 -13.377 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.573 -10.612 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.728 -11.889 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.384 -10.651 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.668 -12.237 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.436 -11.192 0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.221 -9.630 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.536 -11.587 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.262 -9.857 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.996 -10.144 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.786 -9.653 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.798 -11.288 -2.660 1.00 0.00 H new ATOM 552 N GLY A 38 7.367 -13.721 4.102 1.00 0.00 N ATOM 553 CA GLY A 38 7.777 -14.335 5.351 1.00 0.00 C ATOM 554 C GLY A 38 7.909 -15.841 5.241 1.00 0.00 C ATOM 555 O GLY A 38 7.287 -16.464 4.381 1.00 0.00 O ATOM 0 H GLY A 38 6.361 -13.726 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.731 -13.912 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.051 -14.093 6.127 1.00 0.00 H new ATOM 559 N SER A 39 8.723 -16.427 6.113 1.00 0.00 N ATOM 560 CA SER A 39 8.939 -17.869 6.106 1.00 0.00 C ATOM 561 C SER A 39 7.739 -18.602 6.698 1.00 0.00 C ATOM 562 O SER A 39 7.468 -19.753 6.354 1.00 0.00 O ATOM 563 CB SER A 39 10.203 -18.221 6.893 1.00 0.00 C ATOM 564 OG SER A 39 10.602 -19.558 6.647 1.00 0.00 O ATOM 0 H SER A 39 9.243 -15.926 6.833 1.00 0.00 H new ATOM 0 HA SER A 39 9.063 -18.187 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.009 -17.541 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.022 -18.083 7.959 1.00 0.00 H new ATOM 0 HG SER A 39 11.413 -19.757 7.160 1.00 0.00 H new ATOM 570 N ILE A 40 7.023 -17.926 7.591 1.00 0.00 N ATOM 571 CA ILE A 40 5.851 -18.511 8.230 1.00 0.00 C ATOM 572 C ILE A 40 4.705 -17.508 8.300 1.00 0.00 C ATOM 573 O ILE A 40 4.866 -16.340 7.946 1.00 0.00 O ATOM 574 CB ILE A 40 6.173 -19.005 9.653 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.650 -17.841 10.525 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.225 -20.104 9.606 1.00 0.00 C ATOM 577 CD1 ILE A 40 6.385 -18.044 12.000 1.00 0.00 C ATOM 0 H ILE A 40 7.234 -16.973 7.888 1.00 0.00 H new ATOM 0 HA ILE A 40 5.550 -19.361 7.618 1.00 0.00 H new ATOM 0 HB ILE A 40 5.265 -19.416 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.720 -17.698 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.156 -16.926 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.442 -20.443 10.619 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.851 -20.941 9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.136 -19.716 9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.749 -17.181 12.557 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.314 -18.157 12.165 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.901 -18.941 12.342 1.00 0.00 H new ATOM 589 N ASP A 41 3.548 -17.970 8.762 1.00 0.00 N ATOM 590 CA ASP A 41 2.375 -17.113 8.882 1.00 0.00 C ATOM 591 C ASP A 41 2.770 -15.712 9.339 1.00 0.00 C ATOM 592 O ASP A 41 3.307 -15.534 10.432 1.00 0.00 O ATOM 593 CB ASP A 41 1.372 -17.720 9.864 1.00 0.00 C ATOM 594 CG ASP A 41 1.416 -19.235 9.875 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.152 -19.843 8.817 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.713 -19.813 10.942 1.00 0.00 O ATOM 0 H ASP A 41 3.398 -18.934 9.060 1.00 0.00 H new ATOM 0 HA ASP A 41 1.909 -17.037 7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.578 -17.346 10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.367 -17.391 9.602 1.00 0.00 H new ATOM 601 N ALA A 42 2.500 -14.722 8.495 1.00 0.00 N ATOM 602 CA ALA A 42 2.826 -13.337 8.812 1.00 0.00 C ATOM 603 C ALA A 42 1.584 -12.566 9.247 1.00 0.00 C ATOM 604 O ALA A 42 0.655 -12.374 8.462 1.00 0.00 O ATOM 605 CB ALA A 42 3.479 -12.661 7.616 1.00 0.00 C ATOM 0 H ALA A 42 2.056 -14.853 7.586 1.00 0.00 H new ATOM 0 HA ALA A 42 3.531 -13.337 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.717 -11.627 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.395 -13.191 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.794 -12.680 6.769 1.00 0.00 H new ATOM 611 N LEU A 43 1.574 -12.128 10.500 1.00 0.00 N ATOM 612 CA LEU A 43 0.445 -11.378 11.040 1.00 0.00 C ATOM 613 C LEU A 43 0.493 -9.922 10.587 1.00 0.00 C ATOM 614 O LEU A 43 1.566 -9.326 10.489 1.00 0.00 O ATOM 615 CB LEU A 43 0.443 -11.449 12.568 1.00 0.00 C ATOM 616 CG LEU A 43 0.001 -12.779 13.177 1.00 0.00 C ATOM 617 CD1 LEU A 43 1.177 -13.740 13.272 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.620 -12.558 14.548 1.00 0.00 C ATOM 0 H LEU A 43 2.335 -12.279 11.162 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.473 -11.828 10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.449 -11.226 12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.211 -10.663 12.947 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.753 -13.222 12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.843 -14.682 13.708 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.578 -13.924 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.953 -13.304 13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.929 -13.516 14.966 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.112 -12.093 15.208 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.489 -11.907 14.453 1.00 0.00 H new ATOM 630 N PHE A 44 -0.677 -9.354 10.314 1.00 0.00 N ATOM 631 CA PHE A 44 -0.770 -7.967 9.873 1.00 0.00 C ATOM 632 C PHE A 44 -2.049 -7.316 10.391 1.00 0.00 C ATOM 633 O PHE A 44 -2.990 -8.001 10.787 1.00 0.00 O ATOM 634 CB PHE A 44 -0.728 -7.892 8.345 1.00 0.00 C ATOM 635 CG PHE A 44 -2.020 -8.286 7.690 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.330 -9.621 7.486 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.925 -7.322 7.277 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.519 -9.987 6.884 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.116 -7.682 6.674 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.412 -9.016 6.476 1.00 0.00 C ATOM 0 H PHE A 44 -1.574 -9.833 10.390 1.00 0.00 H new ATOM 0 HA PHE A 44 0.083 -7.424 10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.474 -6.875 8.046 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.068 -8.540 7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.634 -10.385 7.801 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.698 -6.277 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.749 -11.031 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.814 -6.921 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.340 -9.300 6.003 1.00 0.00 H new ATOM 650 N ASN A 45 -2.074 -5.987 10.384 1.00 0.00 N ATOM 651 CA ASN A 45 -3.236 -5.242 10.853 1.00 0.00 C ATOM 652 C ASN A 45 -3.240 -3.826 10.286 1.00 0.00 C ATOM 653 O ASN A 45 -2.209 -3.320 9.846 1.00 0.00 O ATOM 654 CB ASN A 45 -3.252 -5.191 12.382 1.00 0.00 C ATOM 655 CG ASN A 45 -2.656 -6.437 13.009 1.00 0.00 C ATOM 656 OD1 ASN A 45 -3.344 -7.440 13.197 1.00 0.00 O ATOM 657 ND2 ASN A 45 -1.370 -6.378 13.335 1.00 0.00 N ATOM 0 H ASN A 45 -1.303 -5.404 10.059 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.131 -5.757 10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.696 -4.316 12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.278 -5.069 12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.914 -7.186 13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.838 -5.525 13.161 1.00 0.00 H new ATOM 664 N MET A 46 -4.408 -3.191 10.301 1.00 0.00 N ATOM 665 CA MET A 46 -4.546 -1.833 9.790 1.00 0.00 C ATOM 666 C MET A 46 -4.783 -0.845 10.928 1.00 0.00 C ATOM 667 O MET A 46 -5.565 -1.110 11.841 1.00 0.00 O ATOM 668 CB MET A 46 -5.698 -1.757 8.785 1.00 0.00 C ATOM 669 CG MET A 46 -5.478 -2.606 7.544 1.00 0.00 C ATOM 670 SD MET A 46 -3.995 -2.134 6.633 1.00 0.00 S ATOM 671 CE MET A 46 -4.328 -0.402 6.320 1.00 0.00 C ATOM 0 H MET A 46 -5.272 -3.596 10.662 1.00 0.00 H new ATOM 0 HA MET A 46 -3.617 -1.565 9.287 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.618 -2.075 9.275 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.840 -0.719 8.485 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.403 -3.654 7.834 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.345 -2.518 6.890 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.056 -0.159 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.389 -0.202 6.471 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.742 0.211 7.005 1.00 0.00 H new ATOM 681 N THR A 47 -4.102 0.295 10.868 1.00 0.00 N ATOM 682 CA THR A 47 -4.237 1.321 11.894 1.00 0.00 C ATOM 683 C THR A 47 -5.190 2.424 11.446 1.00 0.00 C ATOM 684 O THR A 47 -5.166 2.871 10.299 1.00 0.00 O ATOM 685 CB THR A 47 -2.874 1.948 12.245 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.964 0.930 12.678 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.026 2.997 13.336 1.00 0.00 C ATOM 0 H THR A 47 -3.451 0.531 10.119 1.00 0.00 H new ATOM 0 HA THR A 47 -4.642 0.831 12.779 1.00 0.00 H new ATOM 0 HB THR A 47 -2.480 2.431 11.351 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.495 0.559 11.902 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.051 3.426 13.567 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.696 3.785 12.992 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.440 2.533 14.231 1.00 0.00 H new ATOM 695 N PRO A 48 -6.050 2.875 12.371 1.00 0.00 N ATOM 696 CA PRO A 48 -7.027 3.932 12.095 1.00 0.00 C ATOM 697 C PRO A 48 -6.368 5.294 11.902 1.00 0.00 C ATOM 698 O PRO A 48 -5.444 5.671 12.622 1.00 0.00 O ATOM 699 CB PRO A 48 -7.908 3.937 13.347 1.00 0.00 C ATOM 700 CG PRO A 48 -7.038 3.389 14.425 1.00 0.00 C ATOM 701 CD PRO A 48 -6.135 2.388 13.759 1.00 0.00 C ATOM 0 HA PRO A 48 -7.576 3.748 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.249 4.944 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.798 3.324 13.207 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.459 4.181 14.900 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.634 2.918 15.206 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.154 2.354 14.233 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.548 1.380 13.807 1.00 0.00 H new ATOM 709 N PRO A 49 -6.854 6.051 10.907 1.00 0.00 N ATOM 710 CA PRO A 49 -6.328 7.384 10.597 1.00 0.00 C ATOM 711 C PRO A 49 -6.669 8.407 11.675 1.00 0.00 C ATOM 712 O PRO A 49 -7.567 8.192 12.489 1.00 0.00 O ATOM 713 CB PRO A 49 -7.021 7.742 9.281 1.00 0.00 C ATOM 714 CG PRO A 49 -8.279 6.944 9.286 1.00 0.00 C ATOM 715 CD PRO A 49 -7.955 5.666 10.009 1.00 0.00 C ATOM 0 HA PRO A 49 -5.240 7.388 10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.230 8.810 9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.396 7.491 8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.082 7.484 9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.618 6.743 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.814 5.290 10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.653 4.879 9.318 1.00 0.00 H new ATOM 723 N THR A 50 -5.947 9.523 11.675 1.00 0.00 N ATOM 724 CA THR A 50 -6.172 10.580 12.653 1.00 0.00 C ATOM 725 C THR A 50 -7.005 11.711 12.059 1.00 0.00 C ATOM 726 O THR A 50 -7.660 12.459 12.784 1.00 0.00 O ATOM 727 CB THR A 50 -4.843 11.156 13.175 1.00 0.00 C ATOM 728 OG1 THR A 50 -4.064 11.657 12.082 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.051 10.096 13.925 1.00 0.00 C ATOM 0 H THR A 50 -5.201 9.718 11.008 1.00 0.00 H new ATOM 0 HA THR A 50 -6.715 10.130 13.484 1.00 0.00 H new ATOM 0 HB THR A 50 -5.070 11.971 13.863 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.221 12.023 12.422 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.116 10.526 14.284 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.635 9.738 14.773 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.834 9.263 13.256 1.00 0.00 H new ATOM 737 N SER A 51 -6.975 11.828 10.735 1.00 0.00 N ATOM 738 CA SER A 51 -7.725 12.870 10.043 1.00 0.00 C ATOM 739 C SER A 51 -9.084 12.349 9.585 1.00 0.00 C ATOM 740 O SER A 51 -9.222 11.182 9.220 1.00 0.00 O ATOM 741 CB SER A 51 -6.932 13.385 8.840 1.00 0.00 C ATOM 742 OG SER A 51 -5.862 14.218 9.254 1.00 0.00 O ATOM 0 H SER A 51 -6.440 11.215 10.121 1.00 0.00 H new ATOM 0 HA SER A 51 -7.887 13.691 10.741 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.541 12.542 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.593 13.940 8.175 1.00 0.00 H new ATOM 0 HG SER A 51 -5.369 14.533 8.468 1.00 0.00 H new ATOM 748 N ALA A 52 -10.084 13.223 9.609 1.00 0.00 N ATOM 749 CA ALA A 52 -11.432 12.853 9.195 1.00 0.00 C ATOM 750 C ALA A 52 -11.424 12.205 7.815 1.00 0.00 C ATOM 751 O ALA A 52 -11.857 11.063 7.651 1.00 0.00 O ATOM 752 CB ALA A 52 -12.340 14.074 9.201 1.00 0.00 C ATOM 0 H ALA A 52 -9.987 14.192 9.911 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.817 12.124 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.343 13.783 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.379 14.493 10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.949 14.822 8.511 1.00 0.00 H new ATOM 758 N LEU A 53 -10.929 12.939 6.824 1.00 0.00 N ATOM 759 CA LEU A 53 -10.865 12.436 5.457 1.00 0.00 C ATOM 760 C LEU A 53 -10.286 11.025 5.422 1.00 0.00 C ATOM 761 O LEU A 53 -10.674 10.204 4.592 1.00 0.00 O ATOM 762 CB LEU A 53 -10.019 13.368 4.588 1.00 0.00 C ATOM 763 CG LEU A 53 -10.387 13.422 3.105 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.595 12.019 2.556 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.634 14.269 2.895 1.00 0.00 C ATOM 0 H LEU A 53 -10.566 13.885 6.942 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.880 12.402 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.090 14.376 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.976 13.063 4.672 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.563 13.884 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.856 12.077 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.677 11.443 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.401 11.530 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.881 14.296 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.466 13.836 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.449 15.283 3.251 1.00 0.00 H new ATOM 777 N GLY A 54 -9.355 10.751 6.331 1.00 0.00 N ATOM 778 CA GLY A 54 -8.739 9.438 6.389 1.00 0.00 C ATOM 779 C GLY A 54 -9.687 8.375 6.908 1.00 0.00 C ATOM 780 O GLY A 54 -9.750 7.272 6.365 1.00 0.00 O ATOM 0 H GLY A 54 -9.017 11.414 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.394 9.158 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.859 9.481 7.031 1.00 0.00 H new ATOM 784 N ALA A 55 -10.424 8.705 7.963 1.00 0.00 N ATOM 785 CA ALA A 55 -11.373 7.770 8.555 1.00 0.00 C ATOM 786 C ALA A 55 -12.360 7.257 7.512 1.00 0.00 C ATOM 787 O ALA A 55 -12.862 6.137 7.617 1.00 0.00 O ATOM 788 CB ALA A 55 -12.115 8.431 9.707 1.00 0.00 C ATOM 0 H ALA A 55 -10.382 9.613 8.426 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.814 6.917 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.820 7.722 10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.400 8.743 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.656 9.302 9.339 1.00 0.00 H new ATOM 794 N CYS A 56 -12.635 8.082 6.508 1.00 0.00 N ATOM 795 CA CYS A 56 -13.565 7.711 5.446 1.00 0.00 C ATOM 796 C CYS A 56 -13.124 6.419 4.765 1.00 0.00 C ATOM 797 O CYS A 56 -13.954 5.613 4.343 1.00 0.00 O ATOM 798 CB CYS A 56 -13.669 8.836 4.416 1.00 0.00 C ATOM 799 SG CYS A 56 -14.895 10.100 4.825 1.00 0.00 S ATOM 0 H CYS A 56 -12.228 9.012 6.406 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.545 7.548 5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.693 9.311 4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.917 8.405 3.446 1.00 0.00 H new ATOM 0 HG CYS A 56 -15.901 10.010 4.007 1.00 0.00 H new ATOM 805 N PHE A 57 -11.813 6.230 4.658 1.00 0.00 N ATOM 806 CA PHE A 57 -11.262 5.038 4.025 1.00 0.00 C ATOM 807 C PHE A 57 -11.428 3.817 4.926 1.00 0.00 C ATOM 808 O PHE A 57 -11.046 3.839 6.096 1.00 0.00 O ATOM 809 CB PHE A 57 -9.782 5.246 3.698 1.00 0.00 C ATOM 810 CG PHE A 57 -9.548 6.198 2.560 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.526 5.743 1.251 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.350 7.549 2.798 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.311 6.616 0.202 1.00 0.00 C ATOM 814 CE2 PHE A 57 -9.136 8.427 1.753 1.00 0.00 C ATOM 815 CZ PHE A 57 -9.115 7.960 0.453 1.00 0.00 C ATOM 0 H PHE A 57 -11.113 6.887 5.002 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.811 4.862 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.271 5.620 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.333 4.283 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.679 4.693 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.363 7.920 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.296 6.248 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.985 9.478 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.946 8.644 -0.365 1.00 0.00 H new ATOM 825 N VAL A 58 -12.000 2.754 4.372 1.00 0.00 N ATOM 826 CA VAL A 58 -12.217 1.523 5.123 1.00 0.00 C ATOM 827 C VAL A 58 -11.310 0.406 4.622 1.00 0.00 C ATOM 828 O VAL A 58 -11.523 -0.143 3.540 1.00 0.00 O ATOM 829 CB VAL A 58 -13.683 1.060 5.031 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.894 -0.211 5.841 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.620 2.162 5.501 1.00 0.00 C ATOM 0 H VAL A 58 -12.322 2.720 3.405 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.978 1.741 6.164 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.911 0.840 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.936 -0.523 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.249 -1.000 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.648 -0.022 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.652 1.818 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.393 2.415 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.488 3.044 4.874 1.00 0.00 H new ATOM 841 N PHE A 59 -10.297 0.072 5.415 1.00 0.00 N ATOM 842 CA PHE A 59 -9.356 -0.981 5.051 1.00 0.00 C ATOM 843 C PHE A 59 -9.734 -2.302 5.715 1.00 0.00 C ATOM 844 O PHE A 59 -9.930 -2.364 6.929 1.00 0.00 O ATOM 845 CB PHE A 59 -7.934 -0.584 5.452 1.00 0.00 C ATOM 846 CG PHE A 59 -7.295 0.394 4.508 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.589 1.746 4.586 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.401 -0.038 3.542 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.004 2.648 3.718 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.812 0.860 2.671 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.114 2.204 2.760 1.00 0.00 C ATOM 0 H PHE A 59 -10.107 0.515 6.314 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.398 -1.113 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.955 -0.151 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.317 -1.481 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.284 2.099 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.161 -1.088 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.243 3.699 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.117 0.510 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.655 2.907 2.081 1.00 0.00 H new ATOM 861 N SER A 60 -9.834 -3.355 4.910 1.00 0.00 N ATOM 862 CA SER A 60 -10.193 -4.674 5.419 1.00 0.00 C ATOM 863 C SER A 60 -9.449 -5.769 4.660 1.00 0.00 C ATOM 864 O SER A 60 -8.989 -5.577 3.534 1.00 0.00 O ATOM 865 CB SER A 60 -11.703 -4.894 5.305 1.00 0.00 C ATOM 866 OG SER A 60 -12.383 -4.344 6.420 1.00 0.00 O ATOM 0 H SER A 60 -9.672 -3.321 3.904 1.00 0.00 H new ATOM 0 HA SER A 60 -9.904 -4.723 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.072 -4.436 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.914 -5.961 5.236 1.00 0.00 H new ATOM 0 HG SER A 60 -11.831 -3.644 6.828 1.00 0.00 H new ATOM 872 N PRO A 61 -9.328 -6.946 5.290 1.00 0.00 N ATOM 873 CA PRO A 61 -9.871 -7.186 6.631 1.00 0.00 C ATOM 874 C PRO A 61 -9.113 -6.419 7.709 1.00 0.00 C ATOM 875 O PRO A 61 -7.882 -6.400 7.723 1.00 0.00 O ATOM 876 CB PRO A 61 -9.692 -8.694 6.821 1.00 0.00 C ATOM 877 CG PRO A 61 -8.557 -9.057 5.927 1.00 0.00 C ATOM 878 CD PRO A 61 -8.650 -8.134 4.744 1.00 0.00 C ATOM 0 HA PRO A 61 -10.905 -6.851 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.471 -8.939 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.598 -9.237 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.603 -8.939 6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.624 -10.099 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.665 -7.888 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.218 -8.582 3.929 1.00 0.00 H new ATOM 886 N LYS A 62 -9.855 -5.789 8.613 1.00 0.00 N ATOM 887 CA LYS A 62 -9.254 -5.021 9.697 1.00 0.00 C ATOM 888 C LYS A 62 -7.997 -5.710 10.219 1.00 0.00 C ATOM 889 O LYS A 62 -7.088 -5.057 10.730 1.00 0.00 O ATOM 890 CB LYS A 62 -10.258 -4.837 10.837 1.00 0.00 C ATOM 891 CG LYS A 62 -11.209 -6.009 11.005 1.00 0.00 C ATOM 892 CD LYS A 62 -11.949 -5.941 12.330 1.00 0.00 C ATOM 893 CE LYS A 62 -12.558 -7.285 12.699 1.00 0.00 C ATOM 894 NZ LYS A 62 -13.765 -7.131 13.557 1.00 0.00 N ATOM 0 H LYS A 62 -10.875 -5.795 8.616 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.975 -4.043 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.713 -4.686 11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.838 -3.932 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.928 -6.016 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.650 -6.943 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.263 -5.624 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.735 -5.188 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.825 -7.824 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.816 -7.889 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.150 -8.070 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.506 -6.639 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.484 -6.577 13.049 1.00 0.00 H new ATOM 908 N GLU A 63 -7.953 -7.032 10.086 1.00 0.00 N ATOM 909 CA GLU A 63 -6.807 -7.808 10.544 1.00 0.00 C ATOM 910 C GLU A 63 -6.916 -9.260 10.089 1.00 0.00 C ATOM 911 O GLU A 63 -8.009 -9.760 9.828 1.00 0.00 O ATOM 912 CB GLU A 63 -6.698 -7.746 12.069 1.00 0.00 C ATOM 913 CG GLU A 63 -7.480 -8.837 12.780 1.00 0.00 C ATOM 914 CD GLU A 63 -6.674 -10.108 12.963 1.00 0.00 C ATOM 915 OE1 GLU A 63 -5.778 -10.121 13.833 1.00 0.00 O ATOM 916 OE2 GLU A 63 -6.938 -11.089 12.237 1.00 0.00 O ATOM 0 H GLU A 63 -8.698 -7.588 9.665 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.908 -7.375 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.648 -7.819 12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.054 -6.774 12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.801 -8.472 13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.382 -9.062 12.211 1.00 0.00 H new ATOM 923 N GLY A 64 -5.772 -9.933 9.996 1.00 0.00 N ATOM 924 CA GLY A 64 -5.760 -11.321 9.573 1.00 0.00 C ATOM 925 C GLY A 64 -4.356 -11.881 9.461 1.00 0.00 C ATOM 926 O GLY A 64 -3.443 -11.425 10.150 1.00 0.00 O ATOM 0 H GLY A 64 -4.854 -9.541 10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.331 -11.919 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.261 -11.408 8.609 1.00 0.00 H new ATOM 930 N ILE A 65 -4.184 -12.872 8.593 1.00 0.00 N ATOM 931 CA ILE A 65 -2.881 -13.495 8.395 1.00 0.00 C ATOM 932 C ILE A 65 -2.621 -13.767 6.918 1.00 0.00 C ATOM 933 O ILE A 65 -3.514 -14.201 6.190 1.00 0.00 O ATOM 934 CB ILE A 65 -2.763 -14.816 9.178 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.057 -14.583 10.661 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.379 -15.419 8.995 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.448 -15.841 11.404 1.00 0.00 C ATOM 0 H ILE A 65 -4.930 -13.261 8.016 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.136 -12.793 8.769 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.498 -15.519 8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.176 -14.150 11.134 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.860 -13.852 10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.312 -16.352 9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.205 -15.617 7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.627 -14.721 9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.642 -15.601 12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.347 -16.263 10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.637 -16.567 11.343 1.00 0.00 H new ATOM 949 N ILE A 66 -1.392 -13.512 6.482 1.00 0.00 N ATOM 950 CA ILE A 66 -1.014 -13.732 5.091 1.00 0.00 C ATOM 951 C ILE A 66 -0.092 -14.940 4.958 1.00 0.00 C ATOM 952 O ILE A 66 1.072 -14.891 5.353 1.00 0.00 O ATOM 953 CB ILE A 66 -0.313 -12.497 4.496 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.064 -11.222 4.883 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.216 -12.622 2.982 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.414 -9.957 4.366 1.00 0.00 C ATOM 0 H ILE A 66 -0.641 -13.153 7.072 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.935 -13.917 4.538 1.00 0.00 H new ATOM 0 HB ILE A 66 0.697 -12.439 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.083 -11.280 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.134 -11.167 5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.282 -11.742 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.357 -13.513 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.217 -12.701 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.000 -9.093 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.595 -9.876 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.368 -9.990 3.277 1.00 0.00 H new ATOM 968 N GLU A 67 -0.621 -16.022 4.395 1.00 0.00 N ATOM 969 CA GLU A 67 0.156 -17.242 4.208 1.00 0.00 C ATOM 970 C GLU A 67 1.539 -16.926 3.647 1.00 0.00 C ATOM 971 O GLU A 67 1.729 -15.966 2.900 1.00 0.00 O ATOM 972 CB GLU A 67 -0.579 -18.203 3.271 1.00 0.00 C ATOM 973 CG GLU A 67 -0.683 -17.698 1.842 1.00 0.00 C ATOM 974 CD GLU A 67 -1.730 -18.441 1.035 1.00 0.00 C ATOM 975 OE1 GLU A 67 -1.582 -19.669 0.860 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.696 -17.796 0.579 1.00 0.00 O ATOM 0 H GLU A 67 -1.583 -16.079 4.061 1.00 0.00 H new ATOM 0 HA GLU A 67 0.278 -17.717 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.063 -19.163 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.582 -18.380 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.925 -16.635 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.286 -17.799 1.353 1.00 0.00 H new ATOM 983 N PRO A 68 2.530 -17.752 4.015 1.00 0.00 N ATOM 984 CA PRO A 68 3.913 -17.581 3.561 1.00 0.00 C ATOM 985 C PRO A 68 4.077 -17.888 2.076 1.00 0.00 C ATOM 986 O PRO A 68 3.577 -18.898 1.582 1.00 0.00 O ATOM 987 CB PRO A 68 4.691 -18.594 4.405 1.00 0.00 C ATOM 988 CG PRO A 68 3.689 -19.635 4.766 1.00 0.00 C ATOM 989 CD PRO A 68 2.375 -18.916 4.903 1.00 0.00 C ATOM 0 HA PRO A 68 4.257 -16.553 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.522 -19.022 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.114 -18.127 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.634 -20.406 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.961 -20.132 5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.539 -19.545 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.188 -18.614 5.933 1.00 0.00 H new ATOM 997 N SER A 69 4.781 -17.009 1.370 1.00 0.00 N ATOM 998 CA SER A 69 5.008 -17.184 -0.060 1.00 0.00 C ATOM 999 C SER A 69 3.711 -17.002 -0.843 1.00 0.00 C ATOM 1000 O SER A 69 3.498 -17.643 -1.871 1.00 0.00 O ATOM 1001 CB SER A 69 5.595 -18.569 -0.339 1.00 0.00 C ATOM 1002 OG SER A 69 6.540 -18.932 0.653 1.00 0.00 O ATOM 0 H SER A 69 5.204 -16.169 1.765 1.00 0.00 H new ATOM 0 HA SER A 69 5.718 -16.424 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.794 -19.307 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.072 -18.575 -1.319 1.00 0.00 H new ATOM 0 HG SER A 69 6.899 -19.822 0.453 1.00 0.00 H new ATOM 1008 N GLY A 70 2.847 -16.122 -0.347 1.00 0.00 N ATOM 1009 CA GLY A 70 1.581 -15.870 -1.011 1.00 0.00 C ATOM 1010 C GLY A 70 1.217 -14.399 -1.026 1.00 0.00 C ATOM 1011 O GLY A 70 2.062 -13.540 -0.775 1.00 0.00 O ATOM 0 H GLY A 70 3.001 -15.579 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.632 -16.239 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.793 -16.431 -0.509 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.045 -14.106 -1.323 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.519 -12.728 -1.371 1.00 0.00 C ATOM 1017 C VAL A 71 -1.888 -12.595 -0.714 1.00 0.00 C ATOM 1018 O VAL A 71 -2.668 -13.547 -0.684 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.607 -12.214 -2.821 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.783 -12.091 -3.428 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.484 -13.132 -3.659 1.00 0.00 C ATOM 0 H VAL A 71 -0.758 -14.805 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 71 0.205 -12.125 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.063 -11.224 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.702 -11.727 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.376 -11.391 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.268 -13.067 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.535 -12.754 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.059 -14.136 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.487 -13.165 -3.234 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.173 -11.408 -0.188 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.449 -11.151 0.470 1.00 0.00 C ATOM 1033 C GLN A 72 -4.087 -9.871 -0.061 1.00 0.00 C ATOM 1034 O GLN A 72 -3.513 -8.788 0.049 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.254 -11.047 1.984 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.517 -10.657 2.734 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.604 -11.709 2.634 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.322 -12.907 2.590 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.855 -11.267 2.597 1.00 0.00 N ATOM 0 H GLN A 72 -1.538 -10.610 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.116 -11.985 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.898 -12.005 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.476 -10.312 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.275 -10.489 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.893 -9.713 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.043 -10.265 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.628 -11.929 2.530 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.277 -10.005 -0.638 1.00 0.00 N ATOM 1049 CA ALA A 73 -5.994 -8.859 -1.185 1.00 0.00 C ATOM 1050 C ALA A 73 -6.590 -8.003 -0.072 1.00 0.00 C ATOM 1051 O ALA A 73 -7.203 -8.521 0.861 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.085 -9.325 -2.137 1.00 0.00 C ATOM 0 H ALA A 73 -5.765 -10.895 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.282 -8.246 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.612 -8.459 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.637 -9.888 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.788 -9.962 -1.601 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.405 -6.691 -0.178 1.00 0.00 N ATOM 1059 CA ILE A 74 -6.925 -5.764 0.819 1.00 0.00 C ATOM 1060 C ILE A 74 -7.979 -4.843 0.215 1.00 0.00 C ATOM 1061 O ILE A 74 -7.706 -4.110 -0.736 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.801 -4.907 1.431 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.646 -5.798 1.895 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.337 -4.080 2.590 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -4.853 -6.388 3.272 1.00 0.00 C ATOM 0 H ILE A 74 -5.899 -6.247 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.380 -6.367 1.605 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.426 -4.226 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.512 -6.608 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.725 -5.215 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.531 -3.480 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.130 -3.423 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.735 -4.744 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.996 -7.008 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.957 -5.584 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.756 -6.998 3.274 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.184 -4.884 0.775 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.280 -4.052 0.293 1.00 0.00 C ATOM 1079 C GLN A 75 -10.172 -2.635 0.847 1.00 0.00 C ATOM 1080 O GLN A 75 -10.028 -2.440 2.054 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.625 -4.665 0.685 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.069 -5.794 -0.231 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.018 -6.877 -0.374 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -10.632 -7.516 0.605 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.550 -7.090 -1.598 1.00 0.00 N ATOM 0 H GLN A 75 -9.426 -5.485 1.563 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.215 -4.003 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.560 -5.041 1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.386 -3.884 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.987 -6.233 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.303 -5.388 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.899 -6.537 -2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.842 -7.807 -1.756 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.242 -1.650 -0.042 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.153 -0.252 0.359 1.00 0.00 C ATOM 1096 C ILE A 76 -11.309 0.560 -0.217 1.00 0.00 C ATOM 1097 O ILE A 76 -11.346 0.842 -1.414 1.00 0.00 O ATOM 1098 CB ILE A 76 -8.823 0.380 -0.091 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.642 -0.460 0.402 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -8.714 1.808 0.422 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.342 -0.146 -0.303 1.00 0.00 C ATOM 0 H ILE A 76 -10.360 -1.795 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.205 -0.233 1.448 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.799 0.403 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.514 -0.299 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.875 -1.516 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.768 2.241 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.540 2.400 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.756 1.808 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.549 -0.778 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.452 -0.334 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.086 0.901 -0.144 1.00 0.00 H new ATOM 1113 N SER A 77 -12.249 0.934 0.645 1.00 0.00 N ATOM 1114 CA SER A 77 -13.408 1.713 0.222 1.00 0.00 C ATOM 1115 C SER A 77 -13.236 3.184 0.585 1.00 0.00 C ATOM 1116 O SER A 77 -12.906 3.520 1.723 1.00 0.00 O ATOM 1117 CB SER A 77 -14.681 1.162 0.866 1.00 0.00 C ATOM 1118 OG SER A 77 -15.811 1.397 0.043 1.00 0.00 O ATOM 0 H SER A 77 -12.231 0.711 1.640 1.00 0.00 H new ATOM 0 HA SER A 77 -13.493 1.632 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.570 0.092 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.832 1.630 1.839 1.00 0.00 H new ATOM 0 HG SER A 77 -16.612 1.034 0.476 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.462 4.058 -0.390 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.331 5.495 -0.174 1.00 0.00 C ATOM 1126 C PHE A 78 -14.617 6.221 -0.558 1.00 0.00 C ATOM 1127 O PHE A 78 -15.212 5.944 -1.600 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.157 6.049 -0.984 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.958 7.528 -0.816 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.816 8.083 0.445 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.913 8.364 -1.920 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.633 9.444 0.603 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.730 9.725 -1.769 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.590 10.266 -0.505 1.00 0.00 C ATOM 0 H PHE A 78 -13.737 3.797 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.142 5.663 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.245 5.532 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.319 5.830 -2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.849 7.445 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.022 7.947 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.524 9.864 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.696 10.366 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.447 11.330 -0.384 1.00 0.00 H new ATOM 1144 N SER A 79 -15.039 7.153 0.291 1.00 0.00 N ATOM 1145 CA SER A 79 -16.256 7.917 0.043 1.00 0.00 C ATOM 1146 C SER A 79 -16.404 9.046 1.058 1.00 0.00 C ATOM 1147 O SER A 79 -16.655 8.806 2.239 1.00 0.00 O ATOM 1148 CB SER A 79 -17.480 7.000 0.101 1.00 0.00 C ATOM 1149 OG SER A 79 -17.707 6.535 1.421 1.00 0.00 O ATOM 0 H SER A 79 -14.556 7.397 1.156 1.00 0.00 H new ATOM 0 HA SER A 79 -16.185 8.354 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.359 7.538 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.334 6.151 -0.567 1.00 0.00 H new ATOM 0 HG SER A 79 -17.244 7.119 2.058 1.00 0.00 H new ATOM 1155 N SER A 80 -16.247 10.280 0.589 1.00 0.00 N ATOM 1156 CA SER A 80 -16.360 11.448 1.455 1.00 0.00 C ATOM 1157 C SER A 80 -16.975 12.624 0.703 1.00 0.00 C ATOM 1158 O SER A 80 -17.145 12.576 -0.515 1.00 0.00 O ATOM 1159 CB SER A 80 -14.984 11.838 2.000 1.00 0.00 C ATOM 1160 OG SER A 80 -15.104 12.570 3.208 1.00 0.00 O ATOM 0 H SER A 80 -16.041 10.497 -0.386 1.00 0.00 H new ATOM 0 HA SER A 80 -17.014 11.191 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.390 10.941 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.452 12.436 1.260 1.00 0.00 H new ATOM 0 HG SER A 80 -14.815 12.011 3.959 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.305 13.680 1.439 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.901 14.870 0.843 1.00 0.00 C ATOM 1168 C ILE A 81 -17.099 16.119 1.192 1.00 0.00 C ATOM 1169 O ILE A 81 -17.606 17.238 1.107 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.357 15.062 1.305 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.449 14.964 2.829 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.262 14.031 0.647 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -19.287 13.555 3.355 1.00 0.00 C ATOM 0 H ILE A 81 -17.170 13.736 2.448 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.888 14.723 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.690 16.055 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.682 15.599 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.414 15.355 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.288 14.180 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.215 14.144 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.932 13.029 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.363 13.562 4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.069 12.920 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.311 13.167 3.062 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.845 15.920 1.584 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.972 17.031 1.943 1.00 0.00 C ATOM 1187 C ILE A 82 -14.085 17.434 0.770 1.00 0.00 C ATOM 1188 O ILE A 82 -12.967 16.938 0.624 1.00 0.00 O ATOM 1189 CB ILE A 82 -14.081 16.680 3.149 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.938 16.182 4.315 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -13.257 17.889 3.568 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.150 15.431 5.366 1.00 0.00 C ATOM 0 H ILE A 82 -15.411 15.000 1.661 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.619 17.867 2.211 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.397 15.882 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -15.432 17.034 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.723 15.532 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.632 17.625 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.624 18.203 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.924 18.706 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.821 15.108 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.678 14.559 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.383 16.084 5.781 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.589 18.338 -0.063 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.841 18.811 -1.223 1.00 0.00 C ATOM 1206 C LEU A 83 -12.417 19.194 -0.834 1.00 0.00 C ATOM 1207 O LEU A 83 -12.105 19.349 0.346 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.549 20.010 -1.857 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.933 19.737 -2.448 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.648 21.043 -2.757 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.818 18.880 -3.700 1.00 0.00 C ATOM 0 H LEU A 83 -15.512 18.758 0.043 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.793 17.999 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.646 20.790 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.911 20.408 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.521 19.191 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.631 20.829 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.763 21.621 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.063 21.617 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.812 18.696 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.212 19.400 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.347 17.930 -3.448 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.556 19.348 -1.835 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.176 19.714 -1.577 1.00 0.00 C ATOM 1225 C GLY A 84 -9.257 18.510 -1.523 1.00 0.00 C ATOM 1226 O GLY A 84 -9.638 17.453 -1.022 1.00 0.00 O ATOM 0 H GLY A 84 -11.790 19.226 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.832 20.395 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.117 20.255 -0.632 1.00 0.00 H new ATOM 1230 N ASN A 85 -8.043 18.670 -2.041 1.00 0.00 N ATOM 1231 CA ASN A 85 -7.068 17.585 -2.052 1.00 0.00 C ATOM 1232 C ASN A 85 -6.854 17.033 -0.646 1.00 0.00 C ATOM 1233 O ASN A 85 -7.172 17.689 0.346 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.737 18.074 -2.627 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.210 19.299 -1.905 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.130 19.322 -0.677 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.846 20.324 -2.666 1.00 0.00 N ATOM 0 H ASN A 85 -7.711 19.540 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.457 16.786 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.001 17.273 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.864 18.306 -3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.483 21.175 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.930 20.261 -3.681 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.314 15.821 -0.568 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.057 15.179 0.716 1.00 0.00 C ATOM 1246 C PHE A 86 -4.937 14.151 0.596 1.00 0.00 C ATOM 1247 O PHE A 86 -4.990 13.257 -0.249 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.329 14.506 1.237 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.771 13.336 0.405 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.272 12.067 0.651 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.687 13.505 -0.621 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.677 10.989 -0.113 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.096 12.430 -1.388 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.591 11.170 -1.133 1.00 0.00 C ATOM 0 H PHE A 86 -6.046 15.264 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.745 15.948 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.160 14.171 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.132 15.242 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.559 11.919 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.086 14.488 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.279 10.005 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.810 12.575 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.910 10.328 -1.730 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.924 14.285 1.446 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.790 13.368 1.434 1.00 0.00 C ATOM 1266 C GLU A 87 -2.650 12.659 2.778 1.00 0.00 C ATOM 1267 O GLU A 87 -2.100 13.214 3.729 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.500 14.122 1.105 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.376 13.221 0.622 1.00 0.00 C ATOM 1270 CD GLU A 87 0.950 13.950 0.513 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.251 14.770 1.405 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.685 13.700 -0.465 1.00 0.00 O ATOM 0 H GLU A 87 -3.865 15.019 2.151 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.970 12.618 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.711 14.869 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.167 14.660 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.269 12.380 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.640 12.807 -0.351 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.151 11.430 2.847 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.082 10.645 4.075 1.00 0.00 C ATOM 1281 C GLU A 88 -2.227 9.397 3.876 1.00 0.00 C ATOM 1282 O GLU A 88 -2.146 8.858 2.773 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.487 10.247 4.530 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.512 11.360 4.389 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.606 12.227 5.630 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.747 12.078 6.523 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.539 13.054 5.707 1.00 0.00 O ATOM 0 H GLU A 88 -3.609 10.956 2.068 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.619 11.262 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.817 9.385 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.446 9.932 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.251 11.983 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.489 10.925 4.180 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.590 8.946 4.952 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.740 7.763 4.895 1.00 0.00 C ATOM 1296 C GLU A 89 -1.142 6.752 5.966 1.00 0.00 C ATOM 1297 O GLU A 89 -1.082 7.040 7.161 1.00 0.00 O ATOM 1298 CB GLU A 89 0.728 8.154 5.073 1.00 0.00 C ATOM 1299 CG GLU A 89 1.189 9.241 4.117 1.00 0.00 C ATOM 1300 CD GLU A 89 2.556 9.792 4.475 1.00 0.00 C ATOM 1301 OE1 GLU A 89 3.517 8.998 4.545 1.00 0.00 O ATOM 1302 OE2 GLU A 89 2.664 11.018 4.684 1.00 0.00 O ATOM 0 H GLU A 89 -1.646 9.382 5.873 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.869 7.301 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.883 8.493 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.350 7.270 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.217 8.840 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.462 10.053 4.119 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.553 5.566 5.527 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.966 4.513 6.446 1.00 0.00 C ATOM 1311 C PHE A 90 -0.789 3.611 6.805 1.00 0.00 C ATOM 1312 O PHE A 90 0.127 3.418 6.005 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.091 3.680 5.828 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.262 4.501 5.369 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.193 5.236 4.197 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.432 4.538 6.111 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.270 5.992 3.772 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.511 5.292 5.691 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.430 6.021 4.521 1.00 0.00 C ATOM 0 H PHE A 90 -1.609 5.311 4.541 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.331 4.985 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.695 3.121 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.435 2.949 6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.288 5.218 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.501 3.971 7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.204 6.559 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.418 5.311 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.272 6.612 4.192 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.819 3.062 8.015 1.00 0.00 N ATOM 1330 CA LEU A 91 0.245 2.181 8.482 1.00 0.00 C ATOM 1331 C LEU A 91 -0.314 0.823 8.896 1.00 0.00 C ATOM 1332 O LEU A 91 -1.329 0.743 9.588 1.00 0.00 O ATOM 1333 CB LEU A 91 0.985 2.821 9.658 1.00 0.00 C ATOM 1334 CG LEU A 91 1.810 4.066 9.335 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.487 4.599 10.588 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.842 3.758 8.259 1.00 0.00 C ATOM 0 H LEU A 91 -1.569 3.212 8.690 1.00 0.00 H new ATOM 0 HA LEU A 91 0.944 2.030 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.253 3.083 10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.648 2.074 10.094 1.00 0.00 H new ATOM 0 HG LEU A 91 1.137 4.835 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.070 5.485 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.730 4.859 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.147 3.835 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.420 4.656 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.511 2.972 8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.335 3.425 7.353 1.00 0.00 H new ATOM 1348 N VAL A 92 0.356 -0.242 8.469 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.072 -1.597 8.798 1.00 0.00 C ATOM 1350 C VAL A 92 0.773 -2.181 9.924 1.00 0.00 C ATOM 1351 O VAL A 92 1.984 -2.346 9.785 1.00 0.00 O ATOM 1352 CB VAL A 92 0.014 -2.525 7.572 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.440 -3.931 7.935 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.815 -1.969 6.424 1.00 0.00 C ATOM 0 H VAL A 92 1.197 -0.193 7.894 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.110 -1.532 9.123 1.00 0.00 H new ATOM 0 HB VAL A 92 1.054 -2.576 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.373 -4.573 7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.199 -4.327 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.472 -3.901 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.743 -2.637 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.857 -1.887 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.440 -0.983 6.149 1.00 0.00 H new ATOM 1364 N ASN A 93 0.124 -2.494 11.042 1.00 0.00 N ATOM 1365 CA ASN A 93 0.816 -3.061 12.194 1.00 0.00 C ATOM 1366 C ASN A 93 1.207 -4.513 11.933 1.00 0.00 C ATOM 1367 O ASN A 93 0.385 -5.321 11.500 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.069 -2.975 13.439 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.609 -1.577 13.669 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.152 -0.628 13.854 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.931 -1.445 13.658 1.00 0.00 N ATOM 0 H ASN A 93 -0.879 -2.365 11.174 1.00 0.00 H new ATOM 0 HA ASN A 93 1.725 -2.483 12.362 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.902 -3.671 13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.505 -3.288 14.311 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.353 -0.529 13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.524 -2.260 13.501 1.00 0.00 H new ATOM 1378 N VAL A 94 2.468 -4.837 12.200 1.00 0.00 N ATOM 1379 CA VAL A 94 2.968 -6.192 11.997 1.00 0.00 C ATOM 1380 C VAL A 94 3.608 -6.738 13.268 1.00 0.00 C ATOM 1381 O VAL A 94 3.976 -5.980 14.165 1.00 0.00 O ATOM 1382 CB VAL A 94 3.999 -6.243 10.853 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.548 -7.652 10.692 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.377 -5.753 9.554 1.00 0.00 C ATOM 0 H VAL A 94 3.162 -4.180 12.557 1.00 0.00 H new ATOM 0 HA VAL A 94 2.110 -6.810 11.732 1.00 0.00 H new ATOM 0 HB VAL A 94 4.828 -5.582 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.275 -7.669 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.032 -7.962 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.731 -8.337 10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.119 -5.796 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.529 -6.387 9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.037 -4.725 9.679 1.00 0.00 H new ATOM 1394 N ASN A 95 3.739 -8.059 13.338 1.00 0.00 N ATOM 1395 CA ASN A 95 4.335 -8.707 14.500 1.00 0.00 C ATOM 1396 C ASN A 95 5.793 -9.071 14.232 1.00 0.00 C ATOM 1397 O ASN A 95 6.106 -9.738 13.247 1.00 0.00 O ATOM 1398 CB ASN A 95 3.545 -9.964 14.870 1.00 0.00 C ATOM 1399 CG ASN A 95 4.282 -10.839 15.865 1.00 0.00 C ATOM 1400 OD1 ASN A 95 5.082 -10.351 16.663 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.015 -12.139 15.821 1.00 0.00 N ATOM 0 H ASN A 95 3.440 -8.701 12.604 1.00 0.00 H new ATOM 0 HA ASN A 95 4.301 -8.005 15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.582 -9.674 15.289 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.339 -10.539 13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.481 -12.777 16.466 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.344 -12.499 15.142 1.00 0.00 H new ATOM 1408 N GLY A 96 6.680 -8.626 15.117 1.00 0.00 N ATOM 1409 CA GLY A 96 8.094 -8.915 14.959 1.00 0.00 C ATOM 1410 C GLY A 96 8.780 -7.949 14.013 1.00 0.00 C ATOM 1411 O GLY A 96 9.968 -8.093 13.723 1.00 0.00 O ATOM 0 H GLY A 96 6.445 -8.071 15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.582 -8.873 15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.215 -9.932 14.586 1.00 0.00 H new ATOM 1415 N SER A 97 8.031 -6.964 13.529 1.00 0.00 N ATOM 1416 CA SER A 97 8.573 -5.974 12.605 1.00 0.00 C ATOM 1417 C SER A 97 8.853 -4.658 13.323 1.00 0.00 C ATOM 1418 O SER A 97 8.109 -4.233 14.208 1.00 0.00 O ATOM 1419 CB SER A 97 7.601 -5.740 11.447 1.00 0.00 C ATOM 1420 OG SER A 97 8.171 -4.890 10.467 1.00 0.00 O ATOM 0 H SER A 97 7.047 -6.830 13.761 1.00 0.00 H new ATOM 0 HA SER A 97 9.513 -6.359 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.334 -6.695 10.994 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.679 -5.297 11.825 1.00 0.00 H new ATOM 0 HG SER A 97 7.694 -4.034 10.459 1.00 0.00 H new ATOM 1426 N PRO A 98 9.952 -3.995 12.934 1.00 0.00 N ATOM 1427 CA PRO A 98 10.357 -2.716 13.526 1.00 0.00 C ATOM 1428 C PRO A 98 9.417 -1.578 13.146 1.00 0.00 C ATOM 1429 O PRO A 98 9.049 -0.758 13.987 1.00 0.00 O ATOM 1430 CB PRO A 98 11.750 -2.478 12.939 1.00 0.00 C ATOM 1431 CG PRO A 98 11.755 -3.238 11.657 1.00 0.00 C ATOM 1432 CD PRO A 98 10.885 -4.442 11.886 1.00 0.00 C ATOM 0 HA PRO A 98 10.339 -2.747 14.615 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.933 -1.417 12.771 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.530 -2.833 13.613 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.370 -2.628 10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.767 -3.535 11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.358 -4.736 10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.469 -5.304 12.209 1.00 0.00 H new ATOM 1440 N GLU A 99 9.031 -1.534 11.874 1.00 0.00 N ATOM 1441 CA GLU A 99 8.134 -0.495 11.384 1.00 0.00 C ATOM 1442 C GLU A 99 7.030 -1.094 10.518 1.00 0.00 C ATOM 1443 O GLU A 99 7.240 -2.053 9.775 1.00 0.00 O ATOM 1444 CB GLU A 99 8.915 0.549 10.584 1.00 0.00 C ATOM 1445 CG GLU A 99 9.283 0.091 9.182 1.00 0.00 C ATOM 1446 CD GLU A 99 10.429 0.889 8.590 1.00 0.00 C ATOM 1447 OE1 GLU A 99 10.401 2.133 8.691 1.00 0.00 O ATOM 1448 OE2 GLU A 99 11.353 0.267 8.026 1.00 0.00 O ATOM 0 H GLU A 99 9.326 -2.206 11.165 1.00 0.00 H new ATOM 0 HA GLU A 99 7.674 -0.012 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.321 1.461 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.826 0.802 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.555 -0.964 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.411 0.179 8.534 1.00 0.00 H new ATOM 1455 N PRO A 100 5.823 -0.516 10.614 1.00 0.00 N ATOM 1456 CA PRO A 100 4.661 -0.976 9.847 1.00 0.00 C ATOM 1457 C PRO A 100 4.794 -0.676 8.358 1.00 0.00 C ATOM 1458 O PRO A 100 5.743 -0.018 7.929 1.00 0.00 O ATOM 1459 CB PRO A 100 3.501 -0.181 10.451 1.00 0.00 C ATOM 1460 CG PRO A 100 4.133 1.046 11.011 1.00 0.00 C ATOM 1461 CD PRO A 100 5.500 0.631 11.479 1.00 0.00 C ATOM 0 HA PRO A 100 4.533 -2.057 9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.756 0.067 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.991 -0.753 11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.200 1.830 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.543 1.447 11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.225 1.437 11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.496 0.351 12.533 1.00 0.00 H new ATOM 1469 N VAL A 101 3.838 -1.162 7.573 1.00 0.00 N ATOM 1470 CA VAL A 101 3.848 -0.944 6.132 1.00 0.00 C ATOM 1471 C VAL A 101 3.288 0.429 5.780 1.00 0.00 C ATOM 1472 O VAL A 101 2.100 0.694 5.965 1.00 0.00 O ATOM 1473 CB VAL A 101 3.031 -2.023 5.396 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.265 -1.939 3.895 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.382 -3.407 5.921 1.00 0.00 C ATOM 0 H VAL A 101 3.047 -1.709 7.911 1.00 0.00 H new ATOM 0 HA VAL A 101 4.888 -1.003 5.810 1.00 0.00 H new ATOM 0 HB VAL A 101 1.973 -1.845 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.680 -2.709 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.960 -0.957 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.323 -2.091 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.796 -4.157 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.444 -3.598 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.159 -3.459 6.987 1.00 0.00 H new ATOM 1485 N LYS A 102 4.151 1.301 5.270 1.00 0.00 N ATOM 1486 CA LYS A 102 3.744 2.648 4.889 1.00 0.00 C ATOM 1487 C LYS A 102 2.970 2.632 3.574 1.00 0.00 C ATOM 1488 O LYS A 102 3.427 2.066 2.580 1.00 0.00 O ATOM 1489 CB LYS A 102 4.969 3.556 4.760 1.00 0.00 C ATOM 1490 CG LYS A 102 4.632 4.979 4.350 1.00 0.00 C ATOM 1491 CD LYS A 102 4.328 5.850 5.557 1.00 0.00 C ATOM 1492 CE LYS A 102 5.588 6.500 6.108 1.00 0.00 C ATOM 1493 NZ LYS A 102 5.849 7.824 5.478 1.00 0.00 N ATOM 0 H LYS A 102 5.138 1.098 5.111 1.00 0.00 H new ATOM 0 HA LYS A 102 3.091 3.037 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.497 3.577 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.652 3.128 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.467 5.405 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.772 4.972 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.611 6.622 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.860 5.246 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.491 6.624 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.440 5.842 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.154 8.501 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.597 7.726 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.979 8.171 5.025 1.00 0.00 H new ATOM 1507 N LEU A 103 1.798 3.257 3.576 1.00 0.00 N ATOM 1508 CA LEU A 103 0.961 3.315 2.383 1.00 0.00 C ATOM 1509 C LEU A 103 0.406 4.721 2.175 1.00 0.00 C ATOM 1510 O LEU A 103 -0.365 5.223 2.994 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.189 2.312 2.492 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.211 2.335 1.355 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.550 1.966 0.036 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.366 1.392 1.657 1.00 0.00 C ATOM 0 H LEU A 103 1.406 3.731 4.390 1.00 0.00 H new ATOM 0 HA LEU A 103 1.579 3.057 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.235 1.309 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.715 2.493 3.430 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.607 3.347 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.293 1.988 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.242 2.681 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.125 0.965 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.084 1.421 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.986 0.377 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.857 1.702 2.580 1.00 0.00 H new ATOM 1526 N THR A 104 0.801 5.351 1.073 1.00 0.00 N ATOM 1527 CA THR A 104 0.343 6.698 0.757 1.00 0.00 C ATOM 1528 C THR A 104 -0.828 6.666 -0.218 1.00 0.00 C ATOM 1529 O THR A 104 -0.869 5.834 -1.125 1.00 0.00 O ATOM 1530 CB THR A 104 1.476 7.550 0.154 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.610 7.546 1.028 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.012 8.980 -0.078 1.00 0.00 C ATOM 0 H THR A 104 1.437 4.950 0.384 1.00 0.00 H new ATOM 0 HA THR A 104 0.019 7.150 1.695 1.00 0.00 H new ATOM 0 HB THR A 104 1.757 7.116 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.326 8.088 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.829 9.563 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.167 8.981 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.707 9.422 0.871 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.777 7.576 -0.027 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.948 7.652 -0.892 1.00 0.00 C ATOM 1542 C ILE A 105 -3.265 9.097 -1.262 1.00 0.00 C ATOM 1543 O ILE A 105 -3.681 9.888 -0.415 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.184 7.021 -0.223 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.907 5.560 0.136 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.393 7.127 -1.139 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -5.038 4.898 0.891 1.00 0.00 C ATOM 0 H ILE A 105 -1.758 8.271 0.719 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.710 7.092 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.400 7.566 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.715 5.000 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.000 5.508 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.258 6.677 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.600 8.176 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.189 6.604 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.772 3.864 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.216 5.434 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.942 4.918 0.283 1.00 0.00 H new ATOM 1559 N ARG A 106 -3.069 9.433 -2.532 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.335 10.783 -3.015 1.00 0.00 C ATOM 1561 C ARG A 106 -4.638 10.830 -3.807 1.00 0.00 C ATOM 1562 O ARG A 106 -4.904 9.962 -4.636 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.177 11.273 -3.887 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.215 10.734 -5.308 1.00 0.00 C ATOM 1565 CD ARG A 106 -1.140 11.371 -6.174 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.204 12.830 -6.141 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.214 13.619 -6.543 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.911 13.092 -7.007 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.347 14.937 -6.481 1.00 0.00 N ATOM 0 H ARG A 106 -2.727 8.789 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.432 11.439 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.194 12.362 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.235 10.982 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.078 9.653 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.196 10.924 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.158 11.043 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.251 11.026 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.056 13.267 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.017 12.079 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.670 13.700 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.210 15.346 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.414 15.541 -6.790 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.448 11.851 -3.543 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.714 11.993 -4.239 1.00 0.00 C ATOM 1585 C GLY A 107 -7.329 13.365 -4.051 1.00 0.00 C ATOM 1586 O GLY A 107 -7.292 13.925 -2.955 1.00 0.00 O ATOM 0 H GLY A 107 -5.250 12.582 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.563 11.809 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.409 11.234 -3.880 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.893 13.911 -5.123 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.516 15.228 -5.073 1.00 0.00 C ATOM 1592 C CYS A 108 -10.033 15.117 -5.183 1.00 0.00 C ATOM 1593 O CYS A 108 -10.556 14.558 -6.147 1.00 0.00 O ATOM 1594 CB CYS A 108 -7.974 16.115 -6.195 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.222 16.528 -6.028 1.00 0.00 S ATOM 0 H CYS A 108 -7.931 13.461 -6.038 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.272 15.681 -4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.128 15.611 -7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.553 17.038 -6.225 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.856 17.279 -7.024 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.735 15.652 -4.189 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.192 15.612 -4.174 1.00 0.00 C ATOM 1603 C VAL A 109 -12.783 16.844 -4.852 1.00 0.00 C ATOM 1604 O VAL A 109 -12.491 17.976 -4.466 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.737 15.520 -2.736 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.246 15.334 -2.748 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.057 14.388 -1.981 1.00 0.00 C ATOM 0 H VAL A 109 -10.318 16.118 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.489 14.720 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.515 16.454 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.613 15.271 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.713 16.182 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.495 14.416 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.454 14.337 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.246 13.444 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.983 14.570 -1.942 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.614 16.615 -5.863 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.247 17.706 -6.593 1.00 0.00 C ATOM 1619 C ILE A 110 -15.756 17.506 -6.681 1.00 0.00 C ATOM 1620 O ILE A 110 -16.260 16.403 -6.473 1.00 0.00 O ATOM 1621 CB ILE A 110 -13.673 17.838 -8.016 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -13.948 16.565 -8.820 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.180 18.125 -7.961 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.870 16.768 -10.317 1.00 0.00 C ATOM 0 H ILE A 110 -13.865 15.684 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.037 18.621 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.165 18.673 -8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.231 15.798 -8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.939 16.190 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.789 18.215 -8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.008 19.056 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.671 17.309 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.076 15.825 -10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -14.606 17.512 -10.622 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -12.872 17.114 -10.586 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.473 18.582 -6.993 1.00 0.00 N ATOM 1637 CA GLY A 111 -17.917 18.503 -7.106 1.00 0.00 C ATOM 1638 C GLY A 111 -18.480 19.526 -8.072 1.00 0.00 C ATOM 1639 O GLY A 111 -17.745 20.200 -8.795 1.00 0.00 O ATOM 0 H GLY A 111 -16.079 19.506 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.198 17.503 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.364 18.652 -6.123 1.00 0.00 H new ATOM 1643 N PRO A 112 -19.815 19.653 -8.096 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.506 20.598 -8.978 1.00 0.00 C ATOM 1645 C PRO A 112 -20.278 22.048 -8.565 1.00 0.00 C ATOM 1646 O PRO A 112 -19.771 22.853 -9.346 1.00 0.00 O ATOM 1647 CB PRO A 112 -21.981 20.222 -8.816 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.065 19.589 -7.470 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.754 18.882 -7.262 1.00 0.00 C ATOM 0 HA PRO A 112 -20.146 20.534 -10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.623 21.101 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.302 19.534 -9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.231 20.338 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -22.898 18.888 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.457 18.886 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.806 17.839 -7.574 1.00 0.00 H new