USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 629 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 8 CYS SG : rot 151:sc= -3.95 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -4.76! C(o=-23!,f=-27!) USER MOD Set 1.3: A 71 ASN : amide:sc= -5.69! C(o=-23!,f=-32!) USER MOD Set 1.4: A 83 CYS SG : rot -160:sc= -2.8 USER MOD Set 1.5: A 86 CYS SG : rot 129:sc= -6.11! USER MOD Set 2.1: A 75 ASN : amide:sc= -13.2! C(o=-19!,f=-9.5!) USER MOD Set 2.2: A 77 THR OG1 : rot -40:sc= -5.74! USER MOD Set 3.1: A 43 CYS SG : rot -160:sc= -1.76 USER MOD Set 3.2: A 45 GLN : amide:sc= -6.64! C(o=-17!,f=-18!) USER MOD Set 3.3: A 48 CYS SG : rot -61:sc= 0.155 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -3.2 X(o=-17,f=-17) USER MOD Set 3.5: A 70 HIS : no HE2:sc= -5.99! K(o=-17!,f=-16) USER MOD Set 4.1: A 39 ASN : amide:sc= -4.26! K(o=-5.9!,f=-1.9) USER MOD Set 4.2: A 56 SER OG : rot -150:sc= -1.68 USER MOD Set 5.1: A 30 CYS SG : rot -153:sc= -1.26! USER MOD Set 5.2: A 33 CYS SG : rot -150:sc= -0.34 USER MOD Set 5.3: A 53 CYS SG : rot -118:sc= 1.55 USER MOD Set 5.4: A 60 HIS : no HE2:sc= -3.87! K(o=-3.9!,f=-1.6) USER MOD Set 6.1: A 31 GLN : amide:sc= -5.34! C(o=-7.5!,f=-8!) USER MOD Set 6.2: A 32 SER OG : rot -160:sc= -2.14! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.754 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -105:sc= -4.96! (180deg=-12!) USER MOD Single : A 26 SER OG : rot -51:sc= -0.645 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 36 THR OG1 : rot -101:sc= -0.643! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -122:sc= -0.568 USER MOD Single : A 62 THR OG1 : rot -80:sc= 0.637 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.862 (180deg=-1.29) USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.00652) USER MOD Single : A 73 THR OG1 : rot 25:sc= 0.646 USER MOD Single : A 78 THR OG1 : rot -110:sc= -1.75! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.512 0.859 4.731 1.00 0.00 N ATOM 85 CA LEU A 7 12.301 0.032 3.509 1.00 0.00 C ATOM 86 C LEU A 7 11.961 -1.409 3.919 1.00 0.00 C ATOM 87 O LEU A 7 12.328 -1.865 4.983 1.00 0.00 O ATOM 88 CB LEU A 7 13.575 0.102 2.627 1.00 0.00 C ATOM 89 CG LEU A 7 14.478 -1.144 2.771 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.788 -1.431 4.249 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.818 -2.370 2.112 1.00 0.00 C ATOM 0 HA LEU A 7 11.464 0.414 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.282 0.213 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.147 0.991 2.894 1.00 0.00 H new ATOM 0 HG LEU A 7 15.419 -0.939 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.425 -2.313 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.302 -0.575 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.858 -1.610 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.469 -3.237 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.861 -2.570 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.657 -2.171 1.052 1.00 0.00 H new ATOM 103 N CYS A 8 11.250 -2.124 3.082 1.00 0.00 N ATOM 104 CA CYS A 8 10.877 -3.536 3.410 1.00 0.00 C ATOM 105 C CYS A 8 11.429 -4.461 2.316 1.00 0.00 C ATOM 106 O CYS A 8 11.716 -4.032 1.219 1.00 0.00 O ATOM 107 CB CYS A 8 9.341 -3.670 3.503 1.00 0.00 C ATOM 108 SG CYS A 8 8.750 -4.966 2.367 1.00 0.00 S ATOM 0 H CYS A 8 10.910 -1.789 2.181 1.00 0.00 H new ATOM 0 HA CYS A 8 11.303 -3.817 4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.052 -3.913 4.525 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.870 -2.718 3.256 1.00 0.00 H new ATOM 0 HG CYS A 8 7.658 -5.492 2.839 1.00 0.00 H new ATOM 113 N PRO A 9 11.582 -5.720 2.621 1.00 0.00 N ATOM 114 CA PRO A 9 12.115 -6.737 1.659 1.00 0.00 C ATOM 115 C PRO A 9 11.290 -6.797 0.373 1.00 0.00 C ATOM 116 O PRO A 9 11.801 -6.671 -0.722 1.00 0.00 O ATOM 117 CB PRO A 9 11.986 -8.063 2.430 1.00 0.00 C ATOM 118 CG PRO A 9 10.998 -7.779 3.511 1.00 0.00 C ATOM 119 CD PRO A 9 11.251 -6.334 3.909 1.00 0.00 C ATOM 0 HA PRO A 9 13.133 -6.506 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.641 -8.867 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.945 -8.376 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.976 -7.917 3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.136 -8.451 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.374 -5.877 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.067 -6.245 4.626 1.00 0.00 H new ATOM 127 N HIS A 10 10.014 -6.996 0.513 1.00 0.00 N ATOM 128 CA HIS A 10 9.122 -7.077 -0.682 1.00 0.00 C ATOM 129 C HIS A 10 8.921 -5.677 -1.255 1.00 0.00 C ATOM 130 O HIS A 10 8.209 -5.482 -2.220 1.00 0.00 O ATOM 131 CB HIS A 10 7.767 -7.676 -0.279 1.00 0.00 C ATOM 132 CG HIS A 10 7.988 -8.760 0.737 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.081 -8.499 2.103 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.143 -10.118 0.599 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.285 -9.683 2.717 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.331 -10.692 1.848 1.00 0.00 N ATOM 0 H HIS A 10 9.542 -7.108 1.410 1.00 0.00 H new ATOM 0 HA HIS A 10 9.580 -7.716 -1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.122 -6.901 0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.260 -8.080 -1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.122 -10.656 -0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.398 -9.799 3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.474 -11.680 2.057 1.00 0.00 H new ATOM 144 N LEU A 11 9.551 -4.703 -0.667 1.00 0.00 N ATOM 145 CA LEU A 11 9.412 -3.310 -1.170 1.00 0.00 C ATOM 146 C LEU A 11 10.075 -3.202 -2.545 1.00 0.00 C ATOM 147 O LEU A 11 9.571 -2.558 -3.442 1.00 0.00 O ATOM 148 CB LEU A 11 10.095 -2.362 -0.183 1.00 0.00 C ATOM 149 CG LEU A 11 9.698 -0.909 -0.488 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.097 -0.015 0.689 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.403 -0.415 -1.762 1.00 0.00 C ATOM 0 H LEU A 11 10.159 -4.811 0.144 1.00 0.00 H new ATOM 0 HA LEU A 11 8.359 -3.044 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.810 -2.619 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.177 -2.473 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 11 8.620 -0.865 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.816 1.016 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.585 -0.350 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.175 -0.073 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.111 0.616 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.483 -0.465 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.116 -1.045 -2.604 1.00 0.00 H new ATOM 163 N ASP A 12 11.202 -3.832 -2.718 1.00 0.00 N ATOM 164 CA ASP A 12 11.900 -3.769 -4.032 1.00 0.00 C ATOM 165 C ASP A 12 11.181 -4.663 -5.046 1.00 0.00 C ATOM 166 O ASP A 12 11.334 -4.507 -6.241 1.00 0.00 O ATOM 167 CB ASP A 12 13.336 -4.258 -3.860 1.00 0.00 C ATOM 168 CG ASP A 12 14.081 -4.137 -5.190 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.732 -4.860 -6.110 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.989 -3.325 -5.267 1.00 0.00 O ATOM 0 H ASP A 12 11.672 -4.389 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 12 11.897 -2.741 -4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.842 -3.671 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.340 -5.294 -3.522 1.00 0.00 H new ATOM 175 N SER A 13 10.406 -5.604 -4.580 1.00 0.00 N ATOM 176 CA SER A 13 9.688 -6.512 -5.521 1.00 0.00 C ATOM 177 C SER A 13 8.462 -5.802 -6.101 1.00 0.00 C ATOM 178 O SER A 13 8.015 -6.107 -7.189 1.00 0.00 O ATOM 179 CB SER A 13 9.241 -7.768 -4.772 1.00 0.00 C ATOM 180 OG SER A 13 8.804 -8.742 -5.709 1.00 0.00 O ATOM 0 H SER A 13 10.239 -5.784 -3.590 1.00 0.00 H new ATOM 0 HA SER A 13 10.359 -6.787 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.064 -8.163 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.435 -7.525 -4.080 1.00 0.00 H new ATOM 0 HG SER A 13 8.518 -9.549 -5.232 1.00 0.00 H new ATOM 186 N ILE A 14 7.911 -4.864 -5.384 1.00 0.00 N ATOM 187 CA ILE A 14 6.709 -4.143 -5.894 1.00 0.00 C ATOM 188 C ILE A 14 7.142 -2.979 -6.794 1.00 0.00 C ATOM 189 O ILE A 14 6.340 -2.396 -7.494 1.00 0.00 O ATOM 190 CB ILE A 14 5.917 -3.593 -4.712 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.839 -2.758 -3.823 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.342 -4.756 -3.897 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.001 -1.849 -2.920 1.00 0.00 C ATOM 0 H ILE A 14 8.240 -4.564 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 14 6.092 -4.833 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 14 5.103 -2.968 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.465 -3.412 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.508 -2.158 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.776 -4.363 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.684 -5.353 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.156 -5.380 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.661 -1.255 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.394 -1.185 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.350 -2.459 -2.293 1.00 0.00 H new ATOM 205 N GLY A 15 8.399 -2.630 -6.774 1.00 0.00 N ATOM 206 CA GLY A 15 8.871 -1.499 -7.626 1.00 0.00 C ATOM 207 C GLY A 15 7.948 -0.292 -7.434 1.00 0.00 C ATOM 208 O GLY A 15 7.035 -0.319 -6.633 1.00 0.00 O ATOM 0 H GLY A 15 9.119 -3.077 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.894 -1.233 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.881 -1.799 -8.674 1.00 0.00 H new ATOM 212 N GLU A 16 8.181 0.771 -8.161 1.00 0.00 N ATOM 213 CA GLU A 16 7.315 1.979 -8.018 1.00 0.00 C ATOM 214 C GLU A 16 6.190 1.931 -9.056 1.00 0.00 C ATOM 215 O GLU A 16 6.423 1.726 -10.231 1.00 0.00 O ATOM 216 CB GLU A 16 8.157 3.247 -8.226 1.00 0.00 C ATOM 217 CG GLU A 16 7.240 4.453 -8.501 1.00 0.00 C ATOM 218 CD GLU A 16 6.952 4.563 -10.002 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.219 5.464 -10.378 1.00 0.00 O ATOM 220 OE2 GLU A 16 7.467 3.749 -10.750 1.00 0.00 O ATOM 0 H GLU A 16 8.932 0.854 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 16 6.882 1.995 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.766 3.437 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.843 3.104 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.306 4.343 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.713 5.368 -8.145 1.00 0.00 H new ATOM 227 N VAL A 17 4.974 2.127 -8.627 1.00 0.00 N ATOM 228 CA VAL A 17 3.823 2.109 -9.576 1.00 0.00 C ATOM 229 C VAL A 17 3.492 3.558 -9.958 1.00 0.00 C ATOM 230 O VAL A 17 4.225 4.468 -9.630 1.00 0.00 O ATOM 231 CB VAL A 17 2.621 1.429 -8.893 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.772 2.467 -8.149 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.759 0.716 -9.945 1.00 0.00 C ATOM 0 H VAL A 17 4.726 2.300 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 17 4.067 1.549 -10.479 1.00 0.00 H new ATOM 0 HB VAL A 17 2.995 0.699 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.927 1.971 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.381 2.958 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.404 3.211 -8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.911 0.237 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.396 1.443 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.358 -0.039 -10.455 1.00 0.00 H new ATOM 243 N THR A 18 2.403 3.793 -10.639 1.00 0.00 N ATOM 244 CA THR A 18 2.068 5.194 -11.009 1.00 0.00 C ATOM 245 C THR A 18 1.801 5.980 -9.729 1.00 0.00 C ATOM 246 O THR A 18 1.059 5.555 -8.868 1.00 0.00 O ATOM 247 CB THR A 18 0.822 5.203 -11.910 1.00 0.00 C ATOM 248 OG1 THR A 18 0.258 3.899 -11.942 1.00 0.00 O ATOM 249 CG2 THR A 18 1.211 5.619 -13.331 1.00 0.00 C ATOM 0 H THR A 18 1.739 3.084 -10.951 1.00 0.00 H new ATOM 0 HA THR A 18 2.894 5.651 -11.554 1.00 0.00 H new ATOM 0 HB THR A 18 0.096 5.912 -11.513 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.538 3.901 -12.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.324 5.623 -13.964 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.648 6.617 -13.311 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.939 4.913 -13.731 1.00 0.00 H new ATOM 257 N LYS A 19 2.397 7.128 -9.597 1.00 0.00 N ATOM 258 CA LYS A 19 2.168 7.941 -8.375 1.00 0.00 C ATOM 259 C LYS A 19 0.688 8.286 -8.342 1.00 0.00 C ATOM 260 O LYS A 19 -0.024 7.954 -7.415 1.00 0.00 O ATOM 261 CB LYS A 19 3.022 9.223 -8.425 1.00 0.00 C ATOM 262 CG LYS A 19 3.915 9.209 -9.676 1.00 0.00 C ATOM 263 CD LYS A 19 5.188 10.027 -9.421 1.00 0.00 C ATOM 264 CE LYS A 19 6.262 9.133 -8.788 1.00 0.00 C ATOM 265 NZ LYS A 19 7.262 9.984 -8.085 1.00 0.00 N ATOM 0 H LYS A 19 3.032 7.538 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 19 2.454 7.391 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.376 10.101 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.638 9.295 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.178 8.183 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.371 9.622 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.556 10.446 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.966 10.866 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.804 8.436 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.753 8.535 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.991 9.380 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.707 10.632 -8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.787 10.536 -7.342 1.00 0.00 H new ATOM 279 N GLU A 20 0.217 8.920 -9.377 1.00 0.00 N ATOM 280 CA GLU A 20 -1.219 9.259 -9.457 1.00 0.00 C ATOM 281 C GLU A 20 -2.023 8.040 -9.019 1.00 0.00 C ATOM 282 O GLU A 20 -3.035 8.154 -8.366 1.00 0.00 O ATOM 283 CB GLU A 20 -1.564 9.633 -10.894 1.00 0.00 C ATOM 284 CG GLU A 20 -3.081 9.602 -11.104 1.00 0.00 C ATOM 285 CD GLU A 20 -3.394 9.749 -12.594 1.00 0.00 C ATOM 286 OE1 GLU A 20 -4.409 10.348 -12.910 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.613 9.261 -13.394 1.00 0.00 O ATOM 0 H GLU A 20 0.776 9.219 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.454 10.103 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.179 10.628 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.081 8.940 -11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.492 8.666 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.553 10.407 -10.541 1.00 0.00 H new ATOM 294 N ASP A 21 -1.570 6.864 -9.354 1.00 0.00 N ATOM 295 CA ASP A 21 -2.317 5.650 -8.923 1.00 0.00 C ATOM 296 C ASP A 21 -2.533 5.747 -7.420 1.00 0.00 C ATOM 297 O ASP A 21 -3.596 5.466 -6.907 1.00 0.00 O ATOM 298 CB ASP A 21 -1.514 4.389 -9.252 1.00 0.00 C ATOM 299 CG ASP A 21 -2.437 3.169 -9.230 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.568 3.298 -9.670 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.998 2.127 -8.773 1.00 0.00 O ATOM 0 H ASP A 21 -0.726 6.692 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.272 5.590 -9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.049 4.488 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.708 4.260 -8.529 1.00 0.00 H new ATOM 306 N LEU A 22 -1.528 6.178 -6.715 1.00 0.00 N ATOM 307 CA LEU A 22 -1.662 6.329 -5.243 1.00 0.00 C ATOM 308 C LEU A 22 -2.559 7.527 -4.969 1.00 0.00 C ATOM 309 O LEU A 22 -3.149 7.659 -3.914 1.00 0.00 O ATOM 310 CB LEU A 22 -0.281 6.550 -4.615 1.00 0.00 C ATOM 311 CG LEU A 22 0.759 5.701 -5.352 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.109 5.818 -4.644 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.316 4.236 -5.361 1.00 0.00 C ATOM 0 H LEU A 22 -0.617 6.433 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.097 5.429 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.010 7.604 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.303 6.281 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 22 0.852 6.058 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.849 5.214 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.429 6.860 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.013 5.464 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.058 3.635 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.219 3.879 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.645 4.150 -5.868 1.00 0.00 H new ATOM 325 N LEU A 23 -2.666 8.397 -5.926 1.00 0.00 N ATOM 326 CA LEU A 23 -3.522 9.595 -5.768 1.00 0.00 C ATOM 327 C LEU A 23 -4.979 9.198 -6.019 1.00 0.00 C ATOM 328 O LEU A 23 -5.826 9.388 -5.169 1.00 0.00 O ATOM 329 CB LEU A 23 -3.047 10.652 -6.771 1.00 0.00 C ATOM 330 CG LEU A 23 -1.539 10.902 -6.567 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.098 12.121 -7.395 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.247 11.170 -5.084 1.00 0.00 C ATOM 0 H LEU A 23 -2.189 8.327 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.453 10.007 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.238 10.315 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.604 11.579 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.989 10.018 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.032 12.294 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.293 11.933 -8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.656 13.000 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.180 11.345 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.803 12.048 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.550 10.307 -4.492 1.00 0.00 H new ATOM 344 N LEU A 24 -5.292 8.618 -7.151 1.00 0.00 N ATOM 345 CA LEU A 24 -6.701 8.200 -7.365 1.00 0.00 C ATOM 346 C LEU A 24 -7.046 7.190 -6.289 1.00 0.00 C ATOM 347 O LEU A 24 -8.087 7.265 -5.692 1.00 0.00 O ATOM 348 CB LEU A 24 -6.914 7.580 -8.750 1.00 0.00 C ATOM 349 CG LEU A 24 -6.112 6.277 -8.909 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.004 5.068 -8.600 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.620 6.162 -10.356 1.00 0.00 C ATOM 0 H LEU A 24 -4.647 8.422 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.347 9.076 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.974 7.377 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.613 8.291 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.268 6.294 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.427 4.151 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.371 5.139 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.849 5.054 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.051 5.240 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.476 6.150 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.983 7.014 -10.593 1.00 0.00 H new ATOM 363 N LYS A 25 -6.168 6.257 -6.008 1.00 0.00 N ATOM 364 CA LYS A 25 -6.475 5.274 -4.934 1.00 0.00 C ATOM 365 C LYS A 25 -6.972 6.066 -3.725 1.00 0.00 C ATOM 366 O LYS A 25 -7.963 5.736 -3.107 1.00 0.00 O ATOM 367 CB LYS A 25 -5.207 4.491 -4.577 1.00 0.00 C ATOM 368 CG LYS A 25 -4.979 3.382 -5.614 1.00 0.00 C ATOM 369 CD LYS A 25 -3.537 2.870 -5.528 1.00 0.00 C ATOM 370 CE LYS A 25 -3.412 1.562 -6.312 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.100 1.704 -7.626 1.00 0.00 N ATOM 0 H LYS A 25 -5.267 6.138 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.233 4.560 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.348 5.162 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.303 4.058 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.675 2.562 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.179 3.763 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.851 3.615 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.258 2.710 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.361 1.316 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.853 0.742 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.003 1.189 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.280 2.710 -7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.497 1.312 -8.378 1.00 0.00 H new ATOM 385 N SER A 26 -6.294 7.139 -3.418 1.00 0.00 N ATOM 386 CA SER A 26 -6.709 8.010 -2.290 1.00 0.00 C ATOM 387 C SER A 26 -8.022 8.709 -2.670 1.00 0.00 C ATOM 388 O SER A 26 -8.445 9.648 -2.025 1.00 0.00 O ATOM 389 CB SER A 26 -5.621 9.068 -2.059 1.00 0.00 C ATOM 390 OG SER A 26 -5.707 9.551 -0.725 1.00 0.00 O ATOM 0 H SER A 26 -5.457 7.450 -3.911 1.00 0.00 H new ATOM 0 HA SER A 26 -6.850 7.420 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.636 8.638 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.743 9.891 -2.764 1.00 0.00 H new ATOM 0 HG SER A 26 -6.629 9.822 -0.534 1.00 0.00 H new ATOM 396 N LYS A 27 -8.650 8.280 -3.737 1.00 0.00 N ATOM 397 CA LYS A 27 -9.910 8.947 -4.182 1.00 0.00 C ATOM 398 C LYS A 27 -10.863 9.128 -2.998 1.00 0.00 C ATOM 399 O LYS A 27 -11.357 10.215 -2.769 1.00 0.00 O ATOM 400 CB LYS A 27 -10.592 8.132 -5.296 1.00 0.00 C ATOM 401 CG LYS A 27 -10.423 6.622 -5.059 1.00 0.00 C ATOM 402 CD LYS A 27 -11.694 5.886 -5.486 1.00 0.00 C ATOM 403 CE LYS A 27 -11.873 6.036 -6.998 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.092 5.297 -7.432 1.00 0.00 N ATOM 0 H LYS A 27 -8.345 7.499 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.656 9.929 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.653 8.381 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.165 8.402 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.569 6.249 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.217 6.430 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.627 4.832 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.559 6.293 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.961 7.090 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.997 5.650 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.213 5.400 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.990 4.290 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.925 5.685 -6.945 1.00 0.00 H new ATOM 418 N GLY A 28 -11.125 8.103 -2.224 1.00 0.00 N ATOM 419 CA GLY A 28 -12.034 8.290 -1.063 1.00 0.00 C ATOM 420 C GLY A 28 -12.937 7.081 -0.880 1.00 0.00 C ATOM 421 O GLY A 28 -13.864 7.117 -0.101 1.00 0.00 O ATOM 0 H GLY A 28 -10.753 7.161 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.447 8.450 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.641 9.183 -1.212 1.00 0.00 H new ATOM 425 N THR A 29 -12.706 6.012 -1.587 1.00 0.00 N ATOM 426 CA THR A 29 -13.595 4.836 -1.407 1.00 0.00 C ATOM 427 C THR A 29 -12.926 3.548 -1.914 1.00 0.00 C ATOM 428 O THR A 29 -12.161 3.559 -2.858 1.00 0.00 O ATOM 429 CB THR A 29 -14.889 5.085 -2.185 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.734 6.248 -2.988 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.062 5.288 -1.220 1.00 0.00 C ATOM 0 H THR A 29 -11.955 5.903 -2.269 1.00 0.00 H new ATOM 0 HA THR A 29 -13.803 4.707 -0.345 1.00 0.00 H new ATOM 0 HB THR A 29 -15.097 4.220 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.560 6.411 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.975 5.464 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.184 4.397 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.862 6.147 -0.580 1.00 0.00 H new ATOM 439 N CYS A 30 -13.256 2.436 -1.312 1.00 0.00 N ATOM 440 CA CYS A 30 -12.699 1.124 -1.768 1.00 0.00 C ATOM 441 C CYS A 30 -13.199 0.881 -3.192 1.00 0.00 C ATOM 442 O CYS A 30 -14.317 1.221 -3.521 1.00 0.00 O ATOM 443 CB CYS A 30 -13.209 0.001 -0.854 1.00 0.00 C ATOM 444 SG CYS A 30 -12.499 -1.585 -1.380 1.00 0.00 S ATOM 0 H CYS A 30 -13.893 2.378 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.610 1.139 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.935 0.208 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.297 -0.046 -0.892 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.302 -2.552 -1.047 1.00 0.00 H new ATOM 449 N GLN A 31 -12.400 0.310 -4.048 1.00 0.00 N ATOM 450 CA GLN A 31 -12.881 0.084 -5.441 1.00 0.00 C ATOM 451 C GLN A 31 -13.773 -1.157 -5.493 1.00 0.00 C ATOM 452 O GLN A 31 -14.474 -1.382 -6.459 1.00 0.00 O ATOM 453 CB GLN A 31 -11.700 -0.092 -6.397 1.00 0.00 C ATOM 454 CG GLN A 31 -10.756 -1.190 -5.898 1.00 0.00 C ATOM 455 CD GLN A 31 -11.357 -2.565 -6.194 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.279 -2.684 -6.977 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.867 -3.618 -5.601 1.00 0.00 N ATOM 0 H GLN A 31 -11.450 -0.006 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.457 0.956 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.066 -0.345 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.156 0.848 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.785 -1.095 -6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.589 -1.079 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.093 -3.519 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.257 -4.540 -5.794 1.00 0.00 H new ATOM 466 N SER A 32 -13.758 -1.963 -4.465 1.00 0.00 N ATOM 467 CA SER A 32 -14.612 -3.187 -4.462 1.00 0.00 C ATOM 468 C SER A 32 -15.691 -3.064 -3.383 1.00 0.00 C ATOM 469 O SER A 32 -16.629 -3.836 -3.347 1.00 0.00 O ATOM 470 CB SER A 32 -13.746 -4.415 -4.178 1.00 0.00 C ATOM 471 OG SER A 32 -12.969 -4.715 -5.329 1.00 0.00 O ATOM 0 H SER A 32 -13.192 -1.827 -3.628 1.00 0.00 H new ATOM 0 HA SER A 32 -15.088 -3.294 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.095 -4.226 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.375 -5.266 -3.917 1.00 0.00 H new ATOM 0 HG SER A 32 -12.664 -5.645 -5.285 1.00 0.00 H new ATOM 477 N CYS A 33 -15.569 -2.104 -2.500 1.00 0.00 N ATOM 478 CA CYS A 33 -16.593 -1.943 -1.423 1.00 0.00 C ATOM 479 C CYS A 33 -17.131 -0.510 -1.410 1.00 0.00 C ATOM 480 O CYS A 33 -18.203 -0.254 -0.900 1.00 0.00 O ATOM 481 CB CYS A 33 -15.965 -2.255 -0.061 1.00 0.00 C ATOM 482 SG CYS A 33 -15.163 -3.870 -0.122 1.00 0.00 S ATOM 0 H CYS A 33 -14.807 -1.427 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.414 -2.633 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.238 -1.486 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.731 -2.247 0.715 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.196 -4.416 1.057 1.00 0.00 H new ATOM 487 N GLY A 34 -16.403 0.434 -1.946 1.00 0.00 N ATOM 488 CA GLY A 34 -16.908 1.837 -1.925 1.00 0.00 C ATOM 489 C GLY A 34 -17.294 2.187 -0.487 1.00 0.00 C ATOM 490 O GLY A 34 -18.454 2.347 -0.162 1.00 0.00 O ATOM 0 H GLY A 34 -15.495 0.298 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.142 2.522 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.769 1.941 -2.585 1.00 0.00 H new ATOM 494 N VAL A 35 -16.323 2.263 0.381 1.00 0.00 N ATOM 495 CA VAL A 35 -16.607 2.552 1.818 1.00 0.00 C ATOM 496 C VAL A 35 -16.264 4.002 2.186 1.00 0.00 C ATOM 497 O VAL A 35 -17.056 4.678 2.810 1.00 0.00 O ATOM 498 CB VAL A 35 -15.774 1.595 2.677 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.079 0.151 2.259 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.285 1.890 2.469 1.00 0.00 C ATOM 0 H VAL A 35 -15.336 2.136 0.156 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.673 2.411 1.998 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.023 1.730 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.489 -0.536 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.140 -0.054 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.825 0.015 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.691 1.210 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.030 1.751 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.074 2.919 2.761 1.00 0.00 H new ATOM 510 N THR A 36 -15.098 4.488 1.831 1.00 0.00 N ATOM 511 CA THR A 36 -14.735 5.890 2.199 1.00 0.00 C ATOM 512 C THR A 36 -13.227 6.073 2.027 1.00 0.00 C ATOM 513 O THR A 36 -12.535 5.183 1.582 1.00 0.00 O ATOM 514 CB THR A 36 -15.114 6.175 3.668 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.364 4.950 4.342 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.366 7.064 3.738 1.00 0.00 C ATOM 0 H THR A 36 -14.388 3.977 1.306 1.00 0.00 H new ATOM 0 HA THR A 36 -15.277 6.581 1.553 1.00 0.00 H new ATOM 0 HB THR A 36 -14.286 6.696 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.331 4.803 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.619 7.255 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.169 8.010 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.199 6.559 3.249 1.00 0.00 H new ATOM 524 N GLY A 37 -12.720 7.228 2.368 1.00 0.00 N ATOM 525 CA GLY A 37 -11.260 7.490 2.219 1.00 0.00 C ATOM 526 C GLY A 37 -10.516 7.144 3.506 1.00 0.00 C ATOM 527 O GLY A 37 -9.689 6.256 3.532 1.00 0.00 O ATOM 0 H GLY A 37 -13.260 8.007 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.862 6.900 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.097 8.538 1.970 1.00 0.00 H new ATOM 531 N PRO A 38 -10.782 7.851 4.567 1.00 0.00 N ATOM 532 CA PRO A 38 -10.101 7.605 5.854 1.00 0.00 C ATOM 533 C PRO A 38 -10.013 6.119 6.184 1.00 0.00 C ATOM 534 O PRO A 38 -10.993 5.400 6.175 1.00 0.00 O ATOM 535 CB PRO A 38 -10.939 8.344 6.900 1.00 0.00 C ATOM 536 CG PRO A 38 -12.070 9.009 6.162 1.00 0.00 C ATOM 537 CD PRO A 38 -11.744 8.951 4.666 1.00 0.00 C ATOM 0 HA PRO A 38 -9.070 7.958 5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.321 7.651 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.335 9.082 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.013 8.502 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.186 10.042 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.635 8.760 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.318 9.890 4.312 1.00 0.00 H new ATOM 545 N ASN A 39 -8.837 5.671 6.481 1.00 0.00 N ATOM 546 CA ASN A 39 -8.626 4.239 6.827 1.00 0.00 C ATOM 547 C ASN A 39 -8.667 3.370 5.569 1.00 0.00 C ATOM 548 O ASN A 39 -8.941 2.188 5.637 1.00 0.00 O ATOM 549 CB ASN A 39 -9.714 3.773 7.805 1.00 0.00 C ATOM 550 CG ASN A 39 -9.093 2.884 8.888 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.172 3.288 9.568 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.562 1.681 9.075 1.00 0.00 N ATOM 0 H ASN A 39 -7.993 6.243 6.501 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.646 4.138 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.198 4.636 8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.486 3.222 7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.155 1.081 9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.336 1.341 8.504 1.00 0.00 H new ATOM 559 N LEU A 40 -8.387 3.925 4.423 1.00 0.00 N ATOM 560 CA LEU A 40 -8.405 3.086 3.189 1.00 0.00 C ATOM 561 C LEU A 40 -7.090 2.308 3.115 1.00 0.00 C ATOM 562 O LEU A 40 -6.203 2.489 3.922 1.00 0.00 O ATOM 563 CB LEU A 40 -8.535 3.969 1.933 1.00 0.00 C ATOM 564 CG LEU A 40 -10.006 4.193 1.538 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.041 4.853 0.158 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.766 2.859 1.467 1.00 0.00 C ATOM 0 H LEU A 40 -8.150 4.908 4.286 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.257 2.408 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.057 4.932 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.004 3.501 1.104 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.481 4.825 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.076 5.020 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.517 5.808 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.555 4.202 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.803 3.045 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.299 2.213 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.736 2.371 2.441 1.00 0.00 H new ATOM 578 N TRP A 41 -6.959 1.447 2.150 1.00 0.00 N ATOM 579 CA TRP A 41 -5.698 0.663 2.018 1.00 0.00 C ATOM 580 C TRP A 41 -5.615 0.085 0.605 1.00 0.00 C ATOM 581 O TRP A 41 -6.139 -0.975 0.321 1.00 0.00 O ATOM 582 CB TRP A 41 -5.685 -0.467 3.060 1.00 0.00 C ATOM 583 CG TRP A 41 -4.473 -0.341 3.936 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.205 -0.192 3.490 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.396 -0.352 5.391 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.355 -0.110 4.578 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.042 -0.204 5.772 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.360 -0.473 6.408 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.658 -0.178 7.114 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.978 -0.449 7.759 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.629 -0.300 8.111 1.00 0.00 C ATOM 0 H TRP A 41 -7.669 1.250 1.445 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.837 1.309 2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.589 -0.424 3.667 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.683 -1.435 2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.905 -0.145 2.454 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.344 0.006 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.402 -0.585 6.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.617 -0.064 7.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.727 -0.546 8.531 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.341 -0.280 9.152 1.00 0.00 H new ATOM 602 N ALA A 42 -4.973 0.781 -0.291 1.00 0.00 N ATOM 603 CA ALA A 42 -4.871 0.282 -1.687 1.00 0.00 C ATOM 604 C ALA A 42 -3.624 -0.582 -1.862 1.00 0.00 C ATOM 605 O ALA A 42 -2.578 -0.314 -1.304 1.00 0.00 O ATOM 606 CB ALA A 42 -4.795 1.472 -2.640 1.00 0.00 C ATOM 0 H ALA A 42 -4.514 1.675 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.750 -0.324 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.720 1.112 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.693 2.081 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.918 2.074 -2.402 1.00 0.00 H new ATOM 612 N CYS A 43 -3.734 -1.612 -2.653 1.00 0.00 N ATOM 613 CA CYS A 43 -2.570 -2.503 -2.900 1.00 0.00 C ATOM 614 C CYS A 43 -1.446 -1.691 -3.541 1.00 0.00 C ATOM 615 O CYS A 43 -1.689 -0.705 -4.208 1.00 0.00 O ATOM 616 CB CYS A 43 -2.993 -3.624 -3.844 1.00 0.00 C ATOM 617 SG CYS A 43 -1.783 -4.965 -3.772 1.00 0.00 S ATOM 0 H CYS A 43 -4.589 -1.876 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.220 -2.930 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.979 -3.995 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.071 -3.245 -4.863 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.895 -5.708 -4.833 1.00 0.00 H new ATOM 622 N LEU A 44 -0.217 -2.085 -3.337 1.00 0.00 N ATOM 623 CA LEU A 44 0.915 -1.317 -3.929 1.00 0.00 C ATOM 624 C LEU A 44 1.916 -2.260 -4.601 1.00 0.00 C ATOM 625 O LEU A 44 3.109 -2.089 -4.473 1.00 0.00 O ATOM 626 CB LEU A 44 1.618 -0.533 -2.820 1.00 0.00 C ATOM 627 CG LEU A 44 2.513 0.553 -3.433 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.650 1.688 -4.001 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.445 1.113 -2.355 1.00 0.00 C ATOM 0 H LEU A 44 0.051 -2.902 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 44 0.524 -0.634 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.879 -0.078 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.217 -1.208 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 44 3.103 0.116 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.294 2.453 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.989 1.292 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.053 2.126 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.081 1.884 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.851 1.544 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.067 0.310 -1.959 1.00 0.00 H new ATOM 641 N GLN A 45 1.457 -3.247 -5.327 1.00 0.00 N ATOM 642 CA GLN A 45 2.425 -4.159 -5.998 1.00 0.00 C ATOM 643 C GLN A 45 2.763 -3.610 -7.385 1.00 0.00 C ATOM 644 O GLN A 45 1.963 -2.960 -8.028 1.00 0.00 O ATOM 645 CB GLN A 45 1.843 -5.568 -6.138 1.00 0.00 C ATOM 646 CG GLN A 45 1.064 -5.953 -4.874 1.00 0.00 C ATOM 647 CD GLN A 45 1.865 -6.990 -4.080 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.268 -8.003 -4.616 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.117 -6.775 -2.817 1.00 0.00 N ATOM 0 H GLN A 45 0.471 -3.457 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 45 3.326 -4.216 -5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.185 -5.612 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.646 -6.285 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.883 -5.070 -4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.089 -6.359 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.779 -5.924 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.652 -7.458 -2.280 1.00 0.00 H new ATOM 658 N VAL A 46 3.957 -3.861 -7.834 1.00 0.00 N ATOM 659 CA VAL A 46 4.402 -3.361 -9.169 1.00 0.00 C ATOM 660 C VAL A 46 3.280 -3.463 -10.211 1.00 0.00 C ATOM 661 O VAL A 46 3.313 -2.785 -11.219 1.00 0.00 O ATOM 662 CB VAL A 46 5.598 -4.193 -9.643 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.124 -5.590 -10.054 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.253 -3.505 -10.843 1.00 0.00 C ATOM 0 H VAL A 46 4.658 -4.400 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 46 4.678 -2.312 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 46 6.321 -4.281 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.977 -6.179 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.658 -6.082 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.400 -5.505 -10.864 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.104 -4.096 -11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.528 -3.417 -11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.594 -2.512 -10.551 1.00 0.00 H new ATOM 674 N ALA A 47 2.299 -4.304 -10.011 1.00 0.00 N ATOM 675 CA ALA A 47 1.221 -4.417 -11.041 1.00 0.00 C ATOM 676 C ALA A 47 -0.126 -4.767 -10.402 1.00 0.00 C ATOM 677 O ALA A 47 -0.765 -5.728 -10.784 1.00 0.00 O ATOM 678 CB ALA A 47 1.598 -5.508 -12.044 1.00 0.00 C ATOM 0 H ALA A 47 2.196 -4.908 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 47 1.123 -3.454 -11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.816 -5.595 -12.798 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.540 -5.248 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.708 -6.459 -11.523 1.00 0.00 H new ATOM 684 N CYS A 48 -0.578 -3.994 -9.452 1.00 0.00 N ATOM 685 CA CYS A 48 -1.896 -4.290 -8.820 1.00 0.00 C ATOM 686 C CYS A 48 -2.617 -2.982 -8.490 1.00 0.00 C ATOM 687 O CYS A 48 -2.585 -2.516 -7.369 1.00 0.00 O ATOM 688 CB CYS A 48 -1.681 -5.079 -7.535 1.00 0.00 C ATOM 689 SG CYS A 48 -3.241 -5.846 -7.041 1.00 0.00 S ATOM 0 H CYS A 48 -0.094 -3.174 -9.087 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.500 -4.875 -9.514 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.918 -5.843 -7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.320 -4.420 -6.745 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.126 -4.922 -6.813 1.00 0.00 H new ATOM 694 N PRO A 49 -3.267 -2.392 -9.459 1.00 0.00 N ATOM 695 CA PRO A 49 -4.011 -1.122 -9.264 1.00 0.00 C ATOM 696 C PRO A 49 -5.435 -1.357 -8.743 1.00 0.00 C ATOM 697 O PRO A 49 -6.330 -1.695 -9.490 1.00 0.00 O ATOM 698 CB PRO A 49 -4.042 -0.527 -10.670 1.00 0.00 C ATOM 699 CG PRO A 49 -4.044 -1.708 -11.594 1.00 0.00 C ATOM 700 CD PRO A 49 -3.362 -2.866 -10.849 1.00 0.00 C ATOM 0 HA PRO A 49 -3.544 -0.476 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.928 0.090 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.176 0.111 -10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.063 -1.977 -11.873 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.511 -1.476 -12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.946 -3.784 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.378 -3.083 -11.264 1.00 0.00 H new ATOM 708 N TYR A 50 -5.642 -1.166 -7.468 1.00 0.00 N ATOM 709 CA TYR A 50 -6.994 -1.361 -6.874 1.00 0.00 C ATOM 710 C TYR A 50 -6.971 -0.799 -5.453 1.00 0.00 C ATOM 711 O TYR A 50 -6.052 -1.058 -4.701 1.00 0.00 O ATOM 712 CB TYR A 50 -7.333 -2.855 -6.817 1.00 0.00 C ATOM 713 CG TYR A 50 -7.646 -3.366 -8.206 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.817 -4.326 -8.802 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.763 -2.881 -8.897 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.106 -4.799 -10.088 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.051 -3.354 -10.183 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.223 -4.313 -10.778 1.00 0.00 C ATOM 719 OH TYR A 50 -8.508 -4.780 -12.045 1.00 0.00 O ATOM 0 H TYR A 50 -4.922 -0.879 -6.805 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.743 -0.853 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.495 -3.411 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.187 -3.018 -6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.955 -4.701 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.403 -2.142 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.467 -5.539 -10.548 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.912 -2.979 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.317 -4.341 -12.381 1.00 0.00 H new ATOM 729 N VAL A 51 -7.956 -0.031 -5.071 1.00 0.00 N ATOM 730 CA VAL A 51 -7.948 0.538 -3.691 1.00 0.00 C ATOM 731 C VAL A 51 -8.900 -0.259 -2.797 1.00 0.00 C ATOM 732 O VAL A 51 -10.104 -0.158 -2.896 1.00 0.00 O ATOM 733 CB VAL A 51 -8.348 2.017 -3.736 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.536 2.207 -4.681 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.715 2.507 -2.330 1.00 0.00 C ATOM 0 H VAL A 51 -8.758 0.225 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.944 0.467 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.504 2.600 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.815 3.260 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.260 1.879 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.381 1.617 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.998 3.559 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.552 1.922 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.857 2.389 -1.668 1.00 0.00 H new ATOM 745 N GLY A 52 -8.353 -1.066 -1.929 1.00 0.00 N ATOM 746 CA GLY A 52 -9.199 -1.896 -1.029 1.00 0.00 C ATOM 747 C GLY A 52 -9.576 -1.111 0.228 1.00 0.00 C ATOM 748 O GLY A 52 -9.293 0.064 0.350 1.00 0.00 O ATOM 0 H GLY A 52 -7.348 -1.186 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.102 -2.208 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.663 -2.803 -0.751 1.00 0.00 H new ATOM 752 N CYS A 53 -10.219 -1.761 1.161 1.00 0.00 N ATOM 753 CA CYS A 53 -10.633 -1.078 2.420 1.00 0.00 C ATOM 754 C CYS A 53 -9.658 -1.393 3.531 1.00 0.00 C ATOM 755 O CYS A 53 -8.814 -2.262 3.436 1.00 0.00 O ATOM 756 CB CYS A 53 -11.985 -1.620 2.913 1.00 0.00 C ATOM 757 SG CYS A 53 -12.314 -3.234 2.163 1.00 0.00 S ATOM 0 H CYS A 53 -10.477 -2.746 1.103 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.679 -0.012 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.976 -1.709 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.782 -0.921 2.657 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.386 -3.162 1.431 1.00 0.00 H new ATOM 762 N GLY A 54 -9.863 -0.731 4.618 1.00 0.00 N ATOM 763 CA GLY A 54 -9.081 -0.987 5.841 1.00 0.00 C ATOM 764 C GLY A 54 -10.121 -1.480 6.832 1.00 0.00 C ATOM 765 O GLY A 54 -11.294 -1.239 6.634 1.00 0.00 O ATOM 0 H GLY A 54 -10.565 0.003 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.304 -1.732 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.585 -0.084 6.196 1.00 0.00 H new ATOM 769 N GLU A 55 -9.750 -2.182 7.858 1.00 0.00 N ATOM 770 CA GLU A 55 -10.788 -2.684 8.816 1.00 0.00 C ATOM 771 C GLU A 55 -12.014 -1.791 8.754 1.00 0.00 C ATOM 772 O GLU A 55 -13.137 -2.250 8.825 1.00 0.00 O ATOM 773 CB GLU A 55 -10.237 -2.661 10.231 1.00 0.00 C ATOM 774 CG GLU A 55 -10.072 -1.213 10.701 1.00 0.00 C ATOM 775 CD GLU A 55 -9.167 -1.176 11.934 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.878 -0.086 12.401 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.778 -2.239 12.391 1.00 0.00 O ATOM 0 H GLU A 55 -8.787 -2.433 8.082 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.057 -3.704 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.910 -3.196 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.277 -3.176 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.642 -0.607 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.045 -0.783 10.938 1.00 0.00 H new ATOM 784 N SER A 56 -11.794 -0.520 8.592 1.00 0.00 N ATOM 785 CA SER A 56 -12.924 0.437 8.481 1.00 0.00 C ATOM 786 C SER A 56 -14.125 -0.290 7.875 1.00 0.00 C ATOM 787 O SER A 56 -15.245 -0.143 8.321 1.00 0.00 O ATOM 788 CB SER A 56 -12.501 1.583 7.564 1.00 0.00 C ATOM 789 OG SER A 56 -12.298 2.754 8.346 1.00 0.00 O ATOM 0 H SER A 56 -10.867 -0.098 8.531 1.00 0.00 H new ATOM 0 HA SER A 56 -13.193 0.830 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.585 1.322 7.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.267 1.763 6.809 1.00 0.00 H new ATOM 0 HG SER A 56 -12.498 3.547 7.806 1.00 0.00 H new ATOM 795 N PHE A 57 -13.885 -1.091 6.867 1.00 0.00 N ATOM 796 CA PHE A 57 -15.001 -1.855 6.234 1.00 0.00 C ATOM 797 C PHE A 57 -14.748 -3.350 6.388 1.00 0.00 C ATOM 798 O PHE A 57 -15.113 -3.962 7.371 1.00 0.00 O ATOM 799 CB PHE A 57 -15.086 -1.529 4.750 1.00 0.00 C ATOM 800 CG PHE A 57 -16.197 -2.343 4.126 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.902 -3.319 3.166 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.525 -2.124 4.513 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.934 -4.073 2.592 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.556 -2.877 3.939 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.260 -3.852 2.979 1.00 0.00 C ATOM 0 H PHE A 57 -12.965 -1.248 6.456 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.934 -1.577 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.275 -0.465 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.137 -1.751 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.878 -3.491 2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.754 -1.373 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.706 -4.825 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.580 -2.706 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.056 -4.434 2.537 1.00 0.00 H new ATOM 815 N ALA A 58 -14.117 -3.932 5.410 1.00 0.00 N ATOM 816 CA ALA A 58 -13.814 -5.394 5.458 1.00 0.00 C ATOM 817 C ALA A 58 -12.302 -5.580 5.362 1.00 0.00 C ATOM 818 O ALA A 58 -11.792 -6.682 5.395 1.00 0.00 O ATOM 819 CB ALA A 58 -14.492 -6.095 4.279 1.00 0.00 C ATOM 0 H ALA A 58 -13.793 -3.455 4.569 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.185 -5.823 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.271 -7.162 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.570 -5.946 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.119 -5.678 3.344 1.00 0.00 H new ATOM 825 N ASP A 59 -11.587 -4.497 5.248 1.00 0.00 N ATOM 826 CA ASP A 59 -10.106 -4.574 5.153 1.00 0.00 C ATOM 827 C ASP A 59 -9.693 -5.501 4.010 1.00 0.00 C ATOM 828 O ASP A 59 -9.044 -6.504 4.227 1.00 0.00 O ATOM 829 CB ASP A 59 -9.527 -5.100 6.472 1.00 0.00 C ATOM 830 CG ASP A 59 -8.024 -5.339 6.322 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.278 -4.386 6.471 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.644 -6.470 6.067 1.00 0.00 O ATOM 0 H ASP A 59 -11.971 -3.552 5.216 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.718 -3.575 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.712 -4.383 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.025 -6.028 6.754 1.00 0.00 H new ATOM 837 N HIS A 60 -10.028 -5.170 2.785 1.00 0.00 N ATOM 838 CA HIS A 60 -9.595 -6.045 1.658 1.00 0.00 C ATOM 839 C HIS A 60 -8.108 -6.306 1.863 1.00 0.00 C ATOM 840 O HIS A 60 -7.561 -7.291 1.429 1.00 0.00 O ATOM 841 CB HIS A 60 -9.801 -5.328 0.314 1.00 0.00 C ATOM 842 CG HIS A 60 -10.985 -5.903 -0.420 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.125 -5.155 -0.719 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.214 -7.155 -0.936 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.969 -5.968 -1.382 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.461 -7.189 -1.539 1.00 0.00 N ATOM 0 H HIS A 60 -10.572 -4.348 2.523 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.173 -6.969 1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.955 -4.262 0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.904 -5.427 -0.298 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.288 -4.177 -0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.527 -7.986 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.941 -5.666 -1.743 1.00 0.00 H new ATOM 854 N SER A 61 -7.463 -5.406 2.544 1.00 0.00 N ATOM 855 CA SER A 61 -6.009 -5.550 2.817 1.00 0.00 C ATOM 856 C SER A 61 -5.689 -6.981 3.246 1.00 0.00 C ATOM 857 O SER A 61 -4.612 -7.485 2.996 1.00 0.00 O ATOM 858 CB SER A 61 -5.633 -4.588 3.946 1.00 0.00 C ATOM 859 OG SER A 61 -4.280 -4.183 3.790 1.00 0.00 O ATOM 0 H SER A 61 -7.888 -4.563 2.930 1.00 0.00 H new ATOM 0 HA SER A 61 -5.443 -5.322 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.289 -3.717 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.770 -5.073 4.913 1.00 0.00 H new ATOM 0 HG SER A 61 -3.774 -4.414 4.597 1.00 0.00 H new ATOM 865 N THR A 62 -6.604 -7.638 3.903 1.00 0.00 N ATOM 866 CA THR A 62 -6.329 -9.025 4.356 1.00 0.00 C ATOM 867 C THR A 62 -6.731 -10.029 3.282 1.00 0.00 C ATOM 868 O THR A 62 -5.905 -10.732 2.739 1.00 0.00 O ATOM 869 CB THR A 62 -7.126 -9.322 5.620 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.376 -8.651 5.561 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.347 -8.858 6.853 1.00 0.00 C ATOM 0 H THR A 62 -7.526 -7.274 4.144 1.00 0.00 H new ATOM 0 HA THR A 62 -5.261 -9.113 4.554 1.00 0.00 H new ATOM 0 HB THR A 62 -7.294 -10.397 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.253 -7.709 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.925 -9.075 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.393 -9.383 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.167 -7.785 6.787 1.00 0.00 H new ATOM 879 N ILE A 63 -8.000 -10.126 2.990 1.00 0.00 N ATOM 880 CA ILE A 63 -8.433 -11.115 1.974 1.00 0.00 C ATOM 881 C ILE A 63 -7.705 -10.838 0.659 1.00 0.00 C ATOM 882 O ILE A 63 -7.389 -11.737 -0.094 1.00 0.00 O ATOM 883 CB ILE A 63 -9.939 -11.043 1.750 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.347 -9.587 1.594 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.670 -11.660 2.944 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.755 -9.508 1.000 1.00 0.00 C ATOM 0 H ILE A 63 -8.745 -9.568 3.408 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.188 -12.114 2.333 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.203 -11.597 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.321 -9.086 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.639 -9.068 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.746 -11.606 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.371 -12.703 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.414 -11.111 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.045 -8.463 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.766 -9.993 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.458 -10.011 1.663 1.00 0.00 H new ATOM 898 N HIS A 64 -7.434 -9.596 0.386 1.00 0.00 N ATOM 899 CA HIS A 64 -6.720 -9.241 -0.874 1.00 0.00 C ATOM 900 C HIS A 64 -5.261 -9.684 -0.771 1.00 0.00 C ATOM 901 O HIS A 64 -4.701 -10.222 -1.706 1.00 0.00 O ATOM 902 CB HIS A 64 -6.770 -7.730 -1.101 1.00 0.00 C ATOM 903 CG HIS A 64 -6.054 -7.409 -2.379 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.726 -7.090 -3.548 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.719 -7.377 -2.690 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.800 -6.883 -4.502 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.561 -7.047 -4.029 1.00 0.00 N ATOM 0 H HIS A 64 -7.676 -8.805 0.983 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.205 -9.745 -1.710 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.804 -7.390 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.304 -7.207 -0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.737 -7.024 -3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.914 -7.578 -1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.030 -6.617 -5.523 1.00 0.00 H new ATOM 915 N ALA A 65 -4.642 -9.486 0.363 1.00 0.00 N ATOM 916 CA ALA A 65 -3.227 -9.929 0.515 1.00 0.00 C ATOM 917 C ALA A 65 -3.256 -11.435 0.713 1.00 0.00 C ATOM 918 O ALA A 65 -2.286 -12.138 0.542 1.00 0.00 O ATOM 919 CB ALA A 65 -2.599 -9.256 1.739 1.00 0.00 C ATOM 0 H ALA A 65 -5.052 -9.040 1.184 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.636 -9.660 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.565 -9.584 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.625 -8.174 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.159 -9.530 2.633 1.00 0.00 H new ATOM 925 N GLN A 66 -4.397 -11.903 1.098 1.00 0.00 N ATOM 926 CA GLN A 66 -4.624 -13.342 1.358 1.00 0.00 C ATOM 927 C GLN A 66 -4.928 -14.079 0.048 1.00 0.00 C ATOM 928 O GLN A 66 -4.573 -15.227 -0.129 1.00 0.00 O ATOM 929 CB GLN A 66 -5.848 -13.395 2.266 1.00 0.00 C ATOM 930 CG GLN A 66 -6.424 -14.808 2.388 1.00 0.00 C ATOM 931 CD GLN A 66 -5.843 -15.500 3.625 1.00 0.00 C ATOM 932 OE1 GLN A 66 -4.801 -16.120 3.556 1.00 0.00 O ATOM 933 NE2 GLN A 66 -6.479 -15.420 4.762 1.00 0.00 N ATOM 0 H GLN A 66 -5.220 -11.320 1.250 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.750 -13.814 1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.578 -13.029 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.615 -12.725 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.511 -14.763 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.189 -15.385 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.354 -14.900 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.101 -15.878 5.591 1.00 0.00 H new ATOM 942 N ALA A 67 -5.607 -13.431 -0.858 1.00 0.00 N ATOM 943 CA ALA A 67 -5.970 -14.093 -2.142 1.00 0.00 C ATOM 944 C ALA A 67 -4.859 -13.887 -3.168 1.00 0.00 C ATOM 945 O ALA A 67 -4.488 -14.791 -3.891 1.00 0.00 O ATOM 946 CB ALA A 67 -7.275 -13.485 -2.669 1.00 0.00 C ATOM 0 H ALA A 67 -5.927 -12.467 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.102 -15.162 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.547 -13.965 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.070 -13.641 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.138 -12.416 -2.834 1.00 0.00 H new ATOM 952 N LYS A 68 -4.338 -12.697 -3.244 1.00 0.00 N ATOM 953 CA LYS A 68 -3.263 -12.408 -4.232 1.00 0.00 C ATOM 954 C LYS A 68 -1.903 -12.486 -3.545 1.00 0.00 C ATOM 955 O LYS A 68 -0.873 -12.235 -4.139 1.00 0.00 O ATOM 956 CB LYS A 68 -3.478 -11.008 -4.801 1.00 0.00 C ATOM 957 CG LYS A 68 -4.893 -10.914 -5.394 1.00 0.00 C ATOM 958 CD LYS A 68 -5.861 -10.336 -4.358 1.00 0.00 C ATOM 959 CE LYS A 68 -7.223 -10.089 -5.010 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.279 -10.052 -3.959 1.00 0.00 N ATOM 0 H LYS A 68 -4.612 -11.906 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.294 -13.140 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.349 -10.261 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.734 -10.797 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.882 -10.284 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.231 -11.902 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.967 -11.025 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.465 -9.404 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.209 -9.148 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.441 -10.877 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.214 -10.157 -4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.126 -10.830 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.235 -9.144 -3.455 1.00 0.00 H new ATOM 974 N LYS A 69 -1.898 -12.845 -2.295 1.00 0.00 N ATOM 975 CA LYS A 69 -0.617 -12.960 -1.547 1.00 0.00 C ATOM 976 C LYS A 69 0.150 -11.632 -1.606 1.00 0.00 C ATOM 977 O LYS A 69 1.325 -11.576 -1.302 1.00 0.00 O ATOM 978 CB LYS A 69 0.234 -14.083 -2.160 1.00 0.00 C ATOM 979 CG LYS A 69 -0.049 -15.408 -1.440 1.00 0.00 C ATOM 980 CD LYS A 69 -1.564 -15.642 -1.340 1.00 0.00 C ATOM 981 CE LYS A 69 -1.854 -17.146 -1.334 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.302 -17.372 -1.064 1.00 0.00 N ATOM 0 H LYS A 69 -2.734 -13.066 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.831 -13.195 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.010 -14.182 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.292 -13.834 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.419 -16.231 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.391 -15.390 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.954 -15.183 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.071 -15.167 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.579 -17.584 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.250 -17.641 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.427 -18.287 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.665 -16.611 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.826 -17.376 -1.962 1.00 0.00 H new ATOM 996 N HIS A 70 -0.503 -10.559 -1.968 1.00 0.00 N ATOM 997 CA HIS A 70 0.202 -9.242 -2.006 1.00 0.00 C ATOM 998 C HIS A 70 0.396 -8.781 -0.559 1.00 0.00 C ATOM 999 O HIS A 70 -0.550 -8.682 0.197 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.642 -8.236 -2.794 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.673 -8.659 -4.241 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.656 -8.230 -5.121 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.152 -9.480 -4.976 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.399 -8.786 -6.320 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.311 -9.554 -6.283 1.00 0.00 N ATOM 0 H HIS A 70 -1.487 -10.536 -2.237 1.00 0.00 H new ATOM 0 HA HIS A 70 1.171 -9.325 -2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.654 -8.194 -2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.220 -7.235 -2.702 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -2.432 -7.607 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.025 -9.988 -4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.001 -8.629 -7.203 1.00 0.00 H new ATOM 1013 N ASN A 71 1.616 -8.544 -0.145 1.00 0.00 N ATOM 1014 CA ASN A 71 1.853 -8.150 1.273 1.00 0.00 C ATOM 1015 C ASN A 71 1.872 -6.630 1.439 1.00 0.00 C ATOM 1016 O ASN A 71 1.319 -6.098 2.380 1.00 0.00 O ATOM 1017 CB ASN A 71 3.197 -8.721 1.722 1.00 0.00 C ATOM 1018 CG ASN A 71 4.251 -8.481 0.639 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.261 -7.449 -0.001 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.147 -9.400 0.404 1.00 0.00 N ATOM 0 H ASN A 71 2.452 -8.606 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 71 1.040 -8.545 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.508 -8.252 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.101 -9.789 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.854 -9.251 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.141 -10.268 0.940 1.00 0.00 H new ATOM 1027 N LEU A 72 2.535 -5.930 0.567 1.00 0.00 N ATOM 1028 CA LEU A 72 2.627 -4.451 0.724 1.00 0.00 C ATOM 1029 C LEU A 72 1.393 -3.728 0.192 1.00 0.00 C ATOM 1030 O LEU A 72 0.895 -3.997 -0.884 1.00 0.00 O ATOM 1031 CB LEU A 72 3.855 -3.943 -0.022 1.00 0.00 C ATOM 1032 CG LEU A 72 5.124 -4.442 0.670 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.281 -4.421 -0.325 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.467 -3.531 1.856 1.00 0.00 C ATOM 0 H LEU A 72 3.017 -6.314 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 72 2.700 -4.241 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.833 -4.289 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.850 -2.853 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 72 4.959 -5.457 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.188 -4.776 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.047 -5.069 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.436 -3.403 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.372 -3.893 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.630 -2.514 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.643 -3.537 2.570 1.00 0.00 H new ATOM 1046 N THR A 73 0.936 -2.771 0.950 1.00 0.00 N ATOM 1047 CA THR A 73 -0.230 -1.941 0.549 1.00 0.00 C ATOM 1048 C THR A 73 -0.034 -0.575 1.204 1.00 0.00 C ATOM 1049 O THR A 73 0.712 -0.458 2.152 1.00 0.00 O ATOM 1050 CB THR A 73 -1.528 -2.588 1.043 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.622 -1.727 0.763 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.437 -2.830 2.549 1.00 0.00 C ATOM 0 H THR A 73 1.335 -2.524 1.856 1.00 0.00 H new ATOM 0 HA THR A 73 -0.300 -1.849 -0.535 1.00 0.00 H new ATOM 0 HB THR A 73 -1.677 -3.540 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.394 -1.143 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.361 -3.290 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.598 -3.493 2.761 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.287 -1.880 3.062 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.658 0.467 0.719 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.430 1.806 1.349 1.00 0.00 C ATOM 1062 C VAL A 74 -1.741 2.408 1.849 1.00 0.00 C ATOM 1063 O VAL A 74 -2.715 2.513 1.130 1.00 0.00 O ATOM 1064 CB VAL A 74 0.221 2.747 0.328 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.490 2.613 -1.020 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.113 4.197 0.812 1.00 0.00 C ATOM 0 H VAL A 74 -1.304 0.454 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 74 0.232 1.678 2.206 1.00 0.00 H new ATOM 0 HB VAL A 74 1.272 2.479 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.026 3.283 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.410 1.585 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.541 2.876 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.577 4.860 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.937 4.464 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.622 4.300 1.770 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.751 2.812 3.092 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.969 3.423 3.684 1.00 0.00 C ATOM 1078 C ASN A 75 -3.049 4.887 3.260 1.00 0.00 C ATOM 1079 O ASN A 75 -2.330 5.729 3.759 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.892 3.341 5.209 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.240 3.739 5.807 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.471 3.562 6.986 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -5.146 4.276 5.037 1.00 0.00 N ATOM 0 H ASN A 75 -0.956 2.742 3.727 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.853 2.888 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.630 2.329 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.108 4.001 5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.049 4.548 5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.951 4.424 4.047 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.916 5.195 2.343 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.043 6.605 1.885 1.00 0.00 C ATOM 1092 C LEU A 76 -4.675 7.432 3.002 1.00 0.00 C ATOM 1093 O LEU A 76 -5.099 8.552 2.804 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.908 6.640 0.625 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.415 5.548 -0.350 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.582 4.657 -0.774 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.779 6.182 -1.593 1.00 0.00 C ATOM 0 H LEU A 76 -4.544 4.532 1.889 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.065 7.024 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.954 6.472 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.848 7.621 0.154 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.665 4.945 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.224 3.891 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.015 4.181 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.341 5.263 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.438 5.397 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.516 6.803 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.930 6.797 -1.294 1.00 0.00 H new ATOM 1109 N THR A 77 -4.717 6.881 4.186 1.00 0.00 N ATOM 1110 CA THR A 77 -5.292 7.614 5.344 1.00 0.00 C ATOM 1111 C THR A 77 -4.156 8.303 6.092 1.00 0.00 C ATOM 1112 O THR A 77 -4.286 9.415 6.564 1.00 0.00 O ATOM 1113 CB THR A 77 -5.981 6.623 6.279 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.950 5.896 5.545 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.647 7.385 7.429 1.00 0.00 C ATOM 0 H THR A 77 -4.373 5.945 4.399 1.00 0.00 H new ATOM 0 HA THR A 77 -6.018 8.350 4.999 1.00 0.00 H new ATOM 0 HB THR A 77 -5.250 5.930 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.412 6.499 4.926 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.139 6.678 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.891 7.941 7.983 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.386 8.078 7.027 1.00 0.00 H new ATOM 1123 N THR A 78 -3.041 7.632 6.208 1.00 0.00 N ATOM 1124 CA THR A 78 -1.873 8.221 6.936 1.00 0.00 C ATOM 1125 C THR A 78 -0.656 8.339 6.011 1.00 0.00 C ATOM 1126 O THR A 78 0.288 9.039 6.314 1.00 0.00 O ATOM 1127 CB THR A 78 -1.513 7.320 8.117 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.688 7.011 8.853 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.511 8.037 9.026 1.00 0.00 C ATOM 0 H THR A 78 -2.886 6.698 5.829 1.00 0.00 H new ATOM 0 HA THR A 78 -2.147 9.217 7.284 1.00 0.00 H new ATOM 0 HB THR A 78 -1.065 6.398 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.660 7.466 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.256 7.392 9.867 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.392 8.269 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.954 8.961 9.398 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.667 7.665 4.894 1.00 0.00 N ATOM 1138 CA PHE A 79 0.493 7.744 3.954 1.00 0.00 C ATOM 1139 C PHE A 79 1.636 6.843 4.443 1.00 0.00 C ATOM 1140 O PHE A 79 2.763 7.273 4.590 1.00 0.00 O ATOM 1141 CB PHE A 79 0.987 9.194 3.845 1.00 0.00 C ATOM 1142 CG PHE A 79 1.579 9.430 2.474 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.772 9.907 1.435 1.00 0.00 C ATOM 1144 CD2 PHE A 79 2.936 9.172 2.242 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.319 10.125 0.166 1.00 0.00 C ATOM 1146 CE2 PHE A 79 3.484 9.390 0.973 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.676 9.867 -0.066 1.00 0.00 C ATOM 0 H PHE A 79 -1.430 7.061 4.589 1.00 0.00 H new ATOM 0 HA PHE A 79 0.167 7.403 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.161 9.884 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.734 9.392 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.274 10.107 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.560 8.804 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.695 10.492 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.530 9.190 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.099 10.036 -1.045 1.00 0.00 H new ATOM 1157 N ARG A 80 1.355 5.589 4.663 1.00 0.00 N ATOM 1158 CA ARG A 80 2.407 4.633 5.104 1.00 0.00 C ATOM 1159 C ARG A 80 2.113 3.300 4.426 1.00 0.00 C ATOM 1160 O ARG A 80 1.157 3.178 3.690 1.00 0.00 O ATOM 1161 CB ARG A 80 2.393 4.455 6.631 1.00 0.00 C ATOM 1162 CG ARG A 80 1.096 5.013 7.229 1.00 0.00 C ATOM 1163 CD ARG A 80 0.861 4.368 8.599 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.406 4.878 9.199 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.531 4.237 9.016 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.630 4.683 9.561 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.562 3.156 8.285 1.00 0.00 N ATOM 0 H ARG A 80 0.427 5.181 4.554 1.00 0.00 H new ATOM 0 HA ARG A 80 3.392 5.010 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.489 3.398 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.251 4.965 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.163 6.096 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.256 4.806 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.812 3.284 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.699 4.587 9.261 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.395 5.733 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.610 5.530 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.508 4.184 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.706 2.808 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.442 2.660 8.145 1.00 0.00 H new ATOM 1181 N LEU A 81 2.915 2.305 4.656 1.00 0.00 N ATOM 1182 CA LEU A 81 2.660 0.991 4.004 1.00 0.00 C ATOM 1183 C LEU A 81 2.336 -0.059 5.057 1.00 0.00 C ATOM 1184 O LEU A 81 2.363 0.193 6.244 1.00 0.00 O ATOM 1185 CB LEU A 81 3.901 0.566 3.212 1.00 0.00 C ATOM 1186 CG LEU A 81 3.779 1.024 1.753 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.175 1.318 1.191 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.102 -0.064 0.899 1.00 0.00 C ATOM 0 H LEU A 81 3.733 2.341 5.264 1.00 0.00 H new ATOM 0 HA LEU A 81 1.811 1.085 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.795 0.997 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.014 -0.517 3.253 1.00 0.00 H new ATOM 0 HG LEU A 81 3.168 1.926 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.089 1.643 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.646 2.105 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.784 0.415 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.024 0.279 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.697 -0.977 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.105 -0.266 1.290 1.00 0.00 H new ATOM 1200 N TRP A 82 2.032 -1.236 4.611 1.00 0.00 N ATOM 1201 CA TRP A 82 1.701 -2.341 5.543 1.00 0.00 C ATOM 1202 C TRP A 82 2.015 -3.653 4.835 1.00 0.00 C ATOM 1203 O TRP A 82 1.370 -4.021 3.874 1.00 0.00 O ATOM 1204 CB TRP A 82 0.218 -2.281 5.907 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.053 -3.159 7.087 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.584 -3.082 8.279 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.023 -4.240 7.211 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.069 -4.049 9.124 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.924 -4.788 8.512 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.969 -4.794 6.329 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.735 -5.846 8.923 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.786 -5.859 6.740 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.670 -6.384 8.035 1.00 0.00 C ATOM 0 H TRP A 82 1.998 -1.486 3.623 1.00 0.00 H new ATOM 0 HA TRP A 82 2.282 -2.259 6.461 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.068 -1.254 6.134 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.387 -2.601 5.058 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.366 -2.381 8.529 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.384 -4.198 10.082 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.067 -4.397 5.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.641 -6.247 9.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.508 -6.277 6.054 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.302 -7.203 8.345 1.00 0.00 H new ATOM 1224 N CYS A 83 3.018 -4.347 5.285 1.00 0.00 N ATOM 1225 CA CYS A 83 3.394 -5.618 4.626 1.00 0.00 C ATOM 1226 C CYS A 83 2.713 -6.786 5.317 1.00 0.00 C ATOM 1227 O CYS A 83 3.052 -7.126 6.423 1.00 0.00 O ATOM 1228 CB CYS A 83 4.907 -5.800 4.732 1.00 0.00 C ATOM 1229 SG CYS A 83 5.510 -6.635 3.251 1.00 0.00 S ATOM 0 H CYS A 83 3.595 -4.085 6.085 1.00 0.00 H new ATOM 0 HA CYS A 83 3.084 -5.586 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.395 -4.831 4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.154 -6.384 5.619 1.00 0.00 H new ATOM 0 HG CYS A 83 6.669 -7.171 3.496 1.00 0.00 H new ATOM 1234 N TYR A 84 1.784 -7.430 4.674 1.00 0.00 N ATOM 1235 CA TYR A 84 1.148 -8.601 5.330 1.00 0.00 C ATOM 1236 C TYR A 84 2.193 -9.712 5.360 1.00 0.00 C ATOM 1237 O TYR A 84 1.954 -10.805 5.833 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.087 -9.052 4.542 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.969 -9.905 5.427 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.581 -9.341 6.553 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.170 -11.257 5.123 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.397 -10.130 7.374 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -1.986 -12.044 5.945 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.599 -11.481 7.070 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.403 -12.258 7.880 1.00 0.00 O ATOM 0 H TYR A 84 1.442 -7.203 3.740 1.00 0.00 H new ATOM 0 HA TYR A 84 0.817 -8.349 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.642 -8.183 4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.217 -9.617 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.424 -8.299 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.696 -11.692 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.870 -9.695 8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.142 -13.087 5.711 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.438 -13.171 7.527 1.00 0.00 H new ATOM 1255 N ALA A 85 3.374 -9.406 4.881 1.00 0.00 N ATOM 1256 CA ALA A 85 4.480 -10.395 4.897 1.00 0.00 C ATOM 1257 C ALA A 85 5.368 -10.041 6.086 1.00 0.00 C ATOM 1258 O ALA A 85 5.370 -10.719 7.093 1.00 0.00 O ATOM 1259 CB ALA A 85 5.294 -10.321 3.605 1.00 0.00 C ATOM 0 H ALA A 85 3.615 -8.501 4.476 1.00 0.00 H new ATOM 0 HA ALA A 85 4.085 -11.408 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.099 -11.055 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.646 -10.533 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.718 -9.322 3.499 1.00 0.00 H new ATOM 1265 N CYS A 86 6.079 -8.942 6.005 1.00 0.00 N ATOM 1266 CA CYS A 86 6.895 -8.525 7.163 1.00 0.00 C ATOM 1267 C CYS A 86 5.898 -8.227 8.274 1.00 0.00 C ATOM 1268 O CYS A 86 6.238 -8.071 9.430 1.00 0.00 O ATOM 1269 CB CYS A 86 7.690 -7.261 6.814 1.00 0.00 C ATOM 1270 SG CYS A 86 8.650 -7.542 5.305 1.00 0.00 S ATOM 0 H CYS A 86 6.123 -8.328 5.191 1.00 0.00 H new ATOM 0 HA CYS A 86 7.612 -9.292 7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.011 -6.420 6.673 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.356 -6.999 7.637 1.00 0.00 H new ATOM 0 HG CYS A 86 8.418 -6.583 4.458 1.00 0.00 H new ATOM 1275 N GLU A 87 4.647 -8.162 7.896 1.00 0.00 N ATOM 1276 CA GLU A 87 3.559 -7.892 8.867 1.00 0.00 C ATOM 1277 C GLU A 87 3.930 -6.687 9.737 1.00 0.00 C ATOM 1278 O GLU A 87 4.037 -6.776 10.945 1.00 0.00 O ATOM 1279 CB GLU A 87 3.336 -9.151 9.709 1.00 0.00 C ATOM 1280 CG GLU A 87 1.901 -9.659 9.527 1.00 0.00 C ATOM 1281 CD GLU A 87 0.933 -8.746 10.281 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.384 -8.047 11.175 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.241 -8.760 9.953 1.00 0.00 O ATOM 0 H GLU A 87 4.334 -8.288 6.934 1.00 0.00 H new ATOM 0 HA GLU A 87 2.631 -7.649 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.044 -9.925 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.522 -8.932 10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.644 -9.682 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.817 -10.681 9.898 1.00 0.00 H new ATOM 1290 N LYS A 88 4.112 -5.553 9.116 1.00 0.00 N ATOM 1291 CA LYS A 88 4.462 -4.322 9.879 1.00 0.00 C ATOM 1292 C LYS A 88 4.101 -3.100 9.035 1.00 0.00 C ATOM 1293 O LYS A 88 3.541 -3.222 7.967 1.00 0.00 O ATOM 1294 CB LYS A 88 5.960 -4.308 10.186 1.00 0.00 C ATOM 1295 CG LYS A 88 6.734 -4.776 8.953 1.00 0.00 C ATOM 1296 CD LYS A 88 8.236 -4.527 9.154 1.00 0.00 C ATOM 1297 CE LYS A 88 8.834 -5.602 10.075 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.613 -4.944 11.161 1.00 0.00 N ATOM 0 H LYS A 88 4.033 -5.426 8.107 1.00 0.00 H new ATOM 0 HA LYS A 88 3.909 -4.303 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.276 -3.303 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.175 -4.959 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.552 -5.837 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.383 -4.244 8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.746 -4.538 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.394 -3.539 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.040 -6.214 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.478 -6.269 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.019 -5.670 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.379 -4.378 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.985 -4.324 11.712 1.00 0.00 H new ATOM 1312 N GLU A 89 4.419 -1.923 9.505 1.00 0.00 N ATOM 1313 CA GLU A 89 4.096 -0.685 8.732 1.00 0.00 C ATOM 1314 C GLU A 89 5.398 -0.055 8.233 1.00 0.00 C ATOM 1315 O GLU A 89 6.404 -0.086 8.914 1.00 0.00 O ATOM 1316 CB GLU A 89 3.356 0.299 9.651 1.00 0.00 C ATOM 1317 CG GLU A 89 2.060 0.776 8.982 1.00 0.00 C ATOM 1318 CD GLU A 89 1.103 1.310 10.050 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.082 1.043 9.942 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.572 1.976 10.960 1.00 0.00 O ATOM 0 H GLU A 89 4.891 -1.764 10.395 1.00 0.00 H new ATOM 0 HA GLU A 89 3.463 -0.927 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.127 -0.182 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.996 1.153 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.280 1.556 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.594 -0.046 8.439 1.00 0.00 H new ATOM 1327 N VAL A 90 5.403 0.511 7.052 1.00 0.00 N ATOM 1328 CA VAL A 90 6.667 1.121 6.547 1.00 0.00 C ATOM 1329 C VAL A 90 6.351 2.291 5.609 1.00 0.00 C ATOM 1330 O VAL A 90 5.382 2.283 4.888 1.00 0.00 O ATOM 1331 CB VAL A 90 7.483 0.050 5.797 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.552 -0.533 6.727 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.551 -1.077 5.339 1.00 0.00 C ATOM 0 H VAL A 90 4.600 0.576 6.426 1.00 0.00 H new ATOM 0 HA VAL A 90 7.248 1.498 7.389 1.00 0.00 H new ATOM 0 HB VAL A 90 7.962 0.508 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.126 -1.290 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.220 0.263 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.072 -0.987 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.129 -1.834 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.072 -1.529 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.788 -0.671 4.674 1.00 0.00 H new ATOM 1343 N PHE A 91 7.177 3.295 5.616 1.00 0.00 N ATOM 1344 CA PHE A 91 6.956 4.472 4.725 1.00 0.00 C ATOM 1345 C PHE A 91 7.920 4.379 3.557 1.00 0.00 C ATOM 1346 O PHE A 91 8.848 3.595 3.572 1.00 0.00 O ATOM 1347 CB PHE A 91 7.276 5.766 5.466 1.00 0.00 C ATOM 1348 CG PHE A 91 6.340 5.949 6.637 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.440 5.109 7.754 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.375 6.964 6.612 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.576 5.283 8.841 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.511 7.138 7.699 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.611 6.298 8.815 1.00 0.00 C ATOM 0 H PHE A 91 8.007 3.355 6.207 1.00 0.00 H new ATOM 0 HA PHE A 91 5.916 4.473 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.308 5.746 5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.187 6.613 4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.184 4.327 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.298 7.613 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.653 4.634 9.701 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.767 7.920 7.677 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.945 6.433 9.654 1.00 0.00 H new