USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot 4:sc= 0.711 USER MOD Set 1.2: A 56 HIS :FLIP no HE2:sc= 0.0213 F(o=-3,f=-1.5) USER MOD Set 1.3: A 57 CYS SG : rot -62:sc= -2.25 USER MOD Set 1.4: A 59 ASN : amide:sc= -0.916 K(o=-1.5,f=-3.6) USER MOD Set 1.5: A 75 CYS SG : rot -124:sc= -0.0737 USER MOD Set 1.6: A 78 CYS SG : rot 83:sc= 1.04 USER MOD Set 2.1: A 28 CYS SG : rot 142:sc= 1.14 USER MOD Set 2.2: A 31 CYS SG : rot -62:sc= -1.7 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -1.62! C(o=-2.2!,f=-5.4!) USER MOD Single : A 14 GLN : amide:sc=-0.000187 X(o=-0.00019,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.143 K(o=0.14,f=-0.57) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 60:sc= 0.242 USER MOD Single : A 27 MET CE :methyl -164:sc= -1.81 (180deg=-2.88!) USER MOD Single : A 30 HIS :FLIP no HE2:sc= -1.75 F(o=-4,f=-1.7) USER MOD Single : A 32 ASN : amide:sc= -1.01 K(o=-1,f=-2.8) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.532 (180deg=-1.94!) USER MOD Single : A 46 SER OG : rot 160:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.09 K(o=-2.1,f=-2.7!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.439 (180deg=0.27) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -119:sc= -0.399 (180deg=-3.85!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0708) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.350 5.476 8.388 1.00 0.00 N ATOM 122 CA LEU A 12 6.480 6.386 7.652 1.00 0.00 C ATOM 123 C LEU A 12 5.327 5.630 7.001 1.00 0.00 C ATOM 124 O LEU A 12 4.232 6.168 6.836 1.00 0.00 O ATOM 125 CB LEU A 12 7.279 7.137 6.586 1.00 0.00 C ATOM 126 CG LEU A 12 8.292 6.307 5.798 1.00 0.00 C ATOM 127 CD1 LEU A 12 7.592 5.494 4.719 1.00 0.00 C ATOM 128 CD2 LEU A 12 9.356 7.205 5.184 1.00 0.00 C ATOM 0 HA LEU A 12 6.066 7.104 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.577 7.582 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.809 7.958 7.069 1.00 0.00 H new ATOM 0 HG LEU A 12 8.780 5.617 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.329 4.909 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.868 4.823 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.077 6.167 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.068 6.597 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.884 7.920 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.879 7.743 5.975 1.00 0.00 H new ATOM 140 N VAL A 13 5.580 4.377 6.634 1.00 0.00 N ATOM 141 CA VAL A 13 4.562 3.545 6.004 1.00 0.00 C ATOM 142 C VAL A 13 3.181 3.833 6.582 1.00 0.00 C ATOM 143 O VAL A 13 2.958 3.683 7.783 1.00 0.00 O ATOM 144 CB VAL A 13 4.876 2.047 6.175 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.751 1.196 5.606 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.203 1.703 5.515 1.00 0.00 C ATOM 0 H VAL A 13 6.481 3.916 6.762 1.00 0.00 H new ATOM 0 HA VAL A 13 4.566 3.790 4.942 1.00 0.00 H new ATOM 0 HB VAL A 13 4.959 1.830 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.991 0.141 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.822 1.424 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.632 1.413 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.410 0.641 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.151 1.935 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.000 2.287 5.975 1.00 0.00 H new ATOM 156 N GLN A 14 2.258 4.245 5.719 1.00 0.00 N ATOM 157 CA GLN A 14 0.898 4.554 6.145 1.00 0.00 C ATOM 158 C GLN A 14 -0.013 3.343 5.979 1.00 0.00 C ATOM 159 O GLN A 14 0.408 2.302 5.473 1.00 0.00 O ATOM 160 CB GLN A 14 0.347 5.736 5.346 1.00 0.00 C ATOM 161 CG GLN A 14 1.029 7.057 5.663 1.00 0.00 C ATOM 162 CD GLN A 14 0.412 8.225 4.920 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.775 8.517 5.074 1.00 0.00 O ATOM 164 NE2 GLN A 14 1.216 8.903 4.110 1.00 0.00 N ATOM 0 H GLN A 14 2.427 4.373 4.721 1.00 0.00 H new ATOM 0 HA GLN A 14 0.927 4.821 7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.456 5.527 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.721 5.831 5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.972 7.243 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.086 6.986 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.193 8.626 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.857 9.700 3.585 1.00 0.00 H new ATOM 173 N ARG A 15 -1.263 3.485 6.407 1.00 0.00 N ATOM 174 CA ARG A 15 -2.233 2.401 6.307 1.00 0.00 C ATOM 175 C ARG A 15 -3.644 2.951 6.118 1.00 0.00 C ATOM 176 O ARG A 15 -4.028 3.934 6.751 1.00 0.00 O ATOM 177 CB ARG A 15 -2.179 1.523 7.558 1.00 0.00 C ATOM 178 CG ARG A 15 -0.857 0.794 7.734 1.00 0.00 C ATOM 179 CD ARG A 15 -1.026 -0.477 8.552 1.00 0.00 C ATOM 180 NE ARG A 15 -1.040 -0.206 9.987 1.00 0.00 N ATOM 181 CZ ARG A 15 0.060 -0.070 10.720 1.00 0.00 C ATOM 182 NH1 ARG A 15 1.254 -0.179 10.155 1.00 0.00 N ATOM 183 NH2 ARG A 15 -0.034 0.175 12.021 1.00 0.00 N ATOM 0 H ARG A 15 -1.628 4.340 6.826 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.977 1.797 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.362 2.144 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.985 0.790 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.444 0.546 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.140 1.452 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.955 -0.971 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.215 -1.167 8.321 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.943 -0.116 10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.330 -0.368 9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.097 -0.074 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.951 0.259 12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.811 0.279 12.583 1.00 0.00 H new ATOM 197 N ALA A 16 -4.411 2.309 5.243 1.00 0.00 N ATOM 198 CA ALA A 16 -5.779 2.732 4.972 1.00 0.00 C ATOM 199 C ALA A 16 -6.766 2.020 5.891 1.00 0.00 C ATOM 200 O ALA A 16 -6.710 0.801 6.051 1.00 0.00 O ATOM 201 CB ALA A 16 -6.132 2.475 3.514 1.00 0.00 C ATOM 0 H ALA A 16 -4.108 1.494 4.710 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.848 3.802 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.157 2.796 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.453 3.035 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.040 1.410 3.300 1.00 0.00 H new ATOM 207 N GLU A 17 -7.668 2.789 6.493 1.00 0.00 N ATOM 208 CA GLU A 17 -8.666 2.230 7.397 1.00 0.00 C ATOM 209 C GLU A 17 -9.775 1.530 6.617 1.00 0.00 C ATOM 210 O GLU A 17 -10.473 2.151 5.815 1.00 0.00 O ATOM 211 CB GLU A 17 -9.263 3.331 8.276 1.00 0.00 C ATOM 212 CG GLU A 17 -9.956 2.806 9.523 1.00 0.00 C ATOM 213 CD GLU A 17 -9.138 1.752 10.244 1.00 0.00 C ATOM 214 OE1 GLU A 17 -8.126 2.118 10.878 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.510 0.562 10.174 1.00 0.00 O ATOM 0 H GLU A 17 -7.728 3.800 6.371 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.172 1.495 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.470 4.017 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.978 3.906 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.152 3.636 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.923 2.385 9.247 1.00 0.00 H new ATOM 222 N HIS A 18 -9.931 0.232 6.859 1.00 0.00 N ATOM 223 CA HIS A 18 -10.955 -0.554 6.180 1.00 0.00 C ATOM 224 C HIS A 18 -12.348 -0.169 6.668 1.00 0.00 C ATOM 225 O HIS A 18 -12.751 -0.531 7.774 1.00 0.00 O ATOM 226 CB HIS A 18 -10.717 -2.047 6.408 1.00 0.00 C ATOM 227 CG HIS A 18 -9.776 -2.662 5.417 1.00 0.00 C ATOM 228 ND1 HIS A 18 -10.178 -3.573 4.463 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.446 -2.490 5.234 1.00 0.00 C ATOM 230 CE1 HIS A 18 -9.136 -3.936 3.738 1.00 0.00 C ATOM 231 NE2 HIS A 18 -8.072 -3.293 4.185 1.00 0.00 N ATOM 0 H HIS A 18 -9.362 -0.297 7.520 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.892 -0.342 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.321 -2.194 7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.672 -2.570 6.363 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.799 -1.842 5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.151 -4.639 2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.127 -3.379 3.812 1.00 0.00 H new ATOM 240 N ILE A 19 -13.079 0.566 5.837 1.00 0.00 N ATOM 241 CA ILE A 19 -14.427 0.999 6.185 1.00 0.00 C ATOM 242 C ILE A 19 -15.470 0.010 5.677 1.00 0.00 C ATOM 243 O ILE A 19 -15.516 -0.331 4.494 1.00 0.00 O ATOM 244 CB ILE A 19 -14.736 2.394 5.610 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.856 3.452 6.279 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.208 2.729 5.794 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.976 3.472 7.787 1.00 0.00 C ATOM 0 H ILE A 19 -12.761 0.874 4.918 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.473 1.045 7.273 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.516 2.387 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.816 3.272 6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.122 4.434 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.410 3.718 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.817 1.989 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.453 2.721 6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.325 4.246 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.008 3.682 8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.682 2.502 8.188 1.00 0.00 H new ATOM 259 N PRO A 20 -16.332 -0.463 6.590 1.00 0.00 N ATOM 260 CA PRO A 20 -17.393 -1.418 6.258 1.00 0.00 C ATOM 261 C PRO A 20 -18.490 -0.792 5.404 1.00 0.00 C ATOM 262 O PRO A 20 -18.589 0.431 5.303 1.00 0.00 O ATOM 263 CB PRO A 20 -17.946 -1.823 7.626 1.00 0.00 C ATOM 264 CG PRO A 20 -17.634 -0.671 8.517 1.00 0.00 C ATOM 265 CD PRO A 20 -16.336 -0.100 8.017 1.00 0.00 C ATOM 0 HA PRO A 20 -17.018 -2.255 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.019 -2.009 7.580 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.479 -2.740 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.428 0.075 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.545 -0.993 9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.291 0.980 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.481 -0.525 8.542 1.00 0.00 H new ATOM 273 N ALA A 21 -19.312 -1.637 4.791 1.00 0.00 N ATOM 274 CA ALA A 21 -20.404 -1.166 3.948 1.00 0.00 C ATOM 275 C ALA A 21 -21.470 -0.457 4.776 1.00 0.00 C ATOM 276 O ALA A 21 -21.615 -0.713 5.970 1.00 0.00 O ATOM 277 CB ALA A 21 -21.015 -2.327 3.179 1.00 0.00 C ATOM 0 H ALA A 21 -19.242 -2.652 4.862 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.997 -0.448 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.829 -1.961 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.253 -2.788 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.401 -3.066 3.881 1.00 0.00 H new ATOM 283 N GLY A 22 -22.215 0.437 4.132 1.00 0.00 N ATOM 284 CA GLY A 22 -23.258 1.170 4.825 1.00 0.00 C ATOM 285 C GLY A 22 -22.716 2.352 5.606 1.00 0.00 C ATOM 286 O GLY A 22 -23.248 3.459 5.521 1.00 0.00 O ATOM 0 H GLY A 22 -22.115 0.666 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.992 1.523 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.780 0.497 5.506 1.00 0.00 H new ATOM 290 N LYS A 23 -21.655 2.117 6.370 1.00 0.00 N ATOM 291 CA LYS A 23 -21.040 3.170 7.170 1.00 0.00 C ATOM 292 C LYS A 23 -21.065 4.502 6.428 1.00 0.00 C ATOM 293 O LYS A 23 -21.588 5.495 6.934 1.00 0.00 O ATOM 294 CB LYS A 23 -19.597 2.796 7.519 1.00 0.00 C ATOM 295 CG LYS A 23 -18.848 3.890 8.260 1.00 0.00 C ATOM 296 CD LYS A 23 -19.333 4.026 9.693 1.00 0.00 C ATOM 297 CE LYS A 23 -18.667 3.009 10.606 1.00 0.00 C ATOM 298 NZ LYS A 23 -18.704 3.436 12.033 1.00 0.00 N ATOM 0 H LYS A 23 -21.203 1.206 6.452 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.615 3.276 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.602 1.893 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.060 2.557 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.781 3.668 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.979 4.839 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.124 5.033 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.414 3.893 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.167 2.046 10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.632 2.866 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.240 2.716 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.205 4.343 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.692 3.548 12.336 1.00 0.00 H new ATOM 312 N ARG A 24 -20.499 4.516 5.226 1.00 0.00 N ATOM 313 CA ARG A 24 -20.458 5.726 4.414 1.00 0.00 C ATOM 314 C ARG A 24 -20.414 5.384 2.928 1.00 0.00 C ATOM 315 O ARG A 24 -19.924 4.324 2.538 1.00 0.00 O ATOM 316 CB ARG A 24 -19.242 6.576 4.789 1.00 0.00 C ATOM 317 CG ARG A 24 -19.295 7.992 4.239 1.00 0.00 C ATOM 318 CD ARG A 24 -17.901 8.575 4.067 1.00 0.00 C ATOM 319 NE ARG A 24 -17.253 8.831 5.350 1.00 0.00 N ATOM 320 CZ ARG A 24 -16.327 9.766 5.533 1.00 0.00 C ATOM 321 NH1 ARG A 24 -15.944 10.531 4.520 1.00 0.00 N ATOM 322 NH2 ARG A 24 -15.784 9.938 6.731 1.00 0.00 N ATOM 0 H ARG A 24 -20.062 3.703 4.793 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.366 6.296 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.161 6.620 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.340 6.086 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.811 7.992 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.874 8.624 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.290 7.887 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.964 9.504 3.501 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.526 8.260 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.360 10.402 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.233 11.248 4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.077 9.352 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.073 10.656 6.870 1.00 0.00 H new ATOM 336 N THR A 25 -20.931 6.288 2.102 1.00 0.00 N ATOM 337 CA THR A 25 -20.953 6.081 0.659 1.00 0.00 C ATOM 338 C THR A 25 -20.291 7.244 -0.073 1.00 0.00 C ATOM 339 O THR A 25 -20.933 7.988 -0.814 1.00 0.00 O ATOM 340 CB THR A 25 -22.392 5.914 0.137 1.00 0.00 C ATOM 341 OG1 THR A 25 -23.188 7.040 0.524 1.00 0.00 O ATOM 342 CG2 THR A 25 -23.017 4.636 0.676 1.00 0.00 C ATOM 0 H THR A 25 -21.340 7.171 2.408 1.00 0.00 H new ATOM 0 HA THR A 25 -20.395 5.166 0.463 1.00 0.00 H new ATOM 0 HB THR A 25 -22.356 5.852 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.802 7.858 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 25 -24.033 4.539 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.425 3.778 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 25 -23.041 4.674 1.765 1.00 0.00 H new ATOM 350 N PRO A 26 -18.976 7.405 0.138 1.00 0.00 N ATOM 351 CA PRO A 26 -18.199 8.475 -0.495 1.00 0.00 C ATOM 352 C PRO A 26 -18.032 8.261 -1.995 1.00 0.00 C ATOM 353 O PRO A 26 -18.626 7.349 -2.571 1.00 0.00 O ATOM 354 CB PRO A 26 -16.843 8.393 0.211 1.00 0.00 C ATOM 355 CG PRO A 26 -16.744 6.981 0.678 1.00 0.00 C ATOM 356 CD PRO A 26 -18.147 6.555 1.009 1.00 0.00 C ATOM 0 HA PRO A 26 -18.687 9.445 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.028 8.644 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.789 9.091 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.315 6.344 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.096 6.903 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.304 5.496 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.377 6.714 2.063 1.00 0.00 H new ATOM 364 N MET A 27 -17.221 9.106 -2.623 1.00 0.00 N ATOM 365 CA MET A 27 -16.975 9.007 -4.057 1.00 0.00 C ATOM 366 C MET A 27 -15.533 8.595 -4.334 1.00 0.00 C ATOM 367 O MET A 27 -14.592 9.250 -3.885 1.00 0.00 O ATOM 368 CB MET A 27 -17.276 10.342 -4.740 1.00 0.00 C ATOM 369 CG MET A 27 -18.712 10.467 -5.224 1.00 0.00 C ATOM 370 SD MET A 27 -19.042 9.464 -6.686 1.00 0.00 S ATOM 371 CE MET A 27 -20.832 9.512 -6.733 1.00 0.00 C ATOM 0 H MET A 27 -16.723 9.867 -2.161 1.00 0.00 H new ATOM 0 HA MET A 27 -17.637 8.242 -4.462 1.00 0.00 H new ATOM 0 HB2 MET A 27 -17.064 11.153 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.603 10.467 -5.588 1.00 0.00 H new ATOM 0 HG2 MET A 27 -19.389 10.169 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.926 11.512 -5.449 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.200 8.725 -7.391 1.00 0.00 H new ATOM 0 HE2 MET A 27 -21.227 9.359 -5.729 1.00 0.00 H new ATOM 0 HE3 MET A 27 -21.160 10.481 -7.108 1.00 0.00 H new ATOM 381 N CYS A 28 -15.366 7.505 -5.076 1.00 0.00 N ATOM 382 CA CYS A 28 -14.039 7.004 -5.413 1.00 0.00 C ATOM 383 C CYS A 28 -13.161 8.122 -5.969 1.00 0.00 C ATOM 384 O CYS A 28 -13.579 8.874 -6.849 1.00 0.00 O ATOM 385 CB CYS A 28 -14.144 5.868 -6.433 1.00 0.00 C ATOM 386 SG CYS A 28 -12.589 4.956 -6.691 1.00 0.00 S ATOM 0 H CYS A 28 -16.134 6.952 -5.456 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.579 6.623 -4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.913 5.169 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.474 6.280 -7.387 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.848 3.692 -6.846 1.00 0.00 H new ATOM 391 N ALA A 29 -11.943 8.223 -5.448 1.00 0.00 N ATOM 392 CA ALA A 29 -11.005 9.247 -5.893 1.00 0.00 C ATOM 393 C ALA A 29 -10.250 8.795 -7.139 1.00 0.00 C ATOM 394 O ALA A 29 -9.190 9.330 -7.463 1.00 0.00 O ATOM 395 CB ALA A 29 -10.028 9.588 -4.778 1.00 0.00 C ATOM 0 H ALA A 29 -11.582 7.609 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.575 10.140 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.334 10.354 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.578 9.961 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.471 8.694 -4.496 1.00 0.00 H new ATOM 401 N HIS A 30 -10.804 7.807 -7.835 1.00 0.00 N ATOM 402 CA HIS A 30 -10.183 7.284 -9.047 1.00 0.00 C ATOM 403 C HIS A 30 -11.188 7.229 -10.193 1.00 0.00 C ATOM 404 O HIS A 30 -10.887 7.634 -11.316 1.00 0.00 O ATOM 405 CB HIS A 30 -9.609 5.890 -8.790 1.00 0.00 C ATOM 406 CG HIS A 30 -9.399 5.089 -10.038 1.00 0.00 C ATOM 407 ND1 HIS A 30 -10.258 4.333 -10.759 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -8.183 5.005 -10.682 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -9.553 3.811 -11.816 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -8.304 4.233 -11.747 1.00 0.00 N flip ATOM 0 H HIS A 30 -11.681 7.353 -7.581 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.373 7.957 -9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.658 5.989 -8.267 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.282 5.345 -8.128 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -11.246 4.179 -10.556 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.274 5.494 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.955 3.161 -12.579 1.00 0.00 H new ATOM 419 N CYS A 31 -12.383 6.727 -9.902 1.00 0.00 N ATOM 420 CA CYS A 31 -13.433 6.618 -10.908 1.00 0.00 C ATOM 421 C CYS A 31 -14.570 7.593 -10.615 1.00 0.00 C ATOM 422 O CYS A 31 -15.490 7.748 -11.417 1.00 0.00 O ATOM 423 CB CYS A 31 -13.974 5.187 -10.958 1.00 0.00 C ATOM 424 SG CYS A 31 -14.681 4.604 -9.384 1.00 0.00 S ATOM 0 H CYS A 31 -12.649 6.389 -8.977 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.001 6.870 -11.877 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.739 5.126 -11.732 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.168 4.515 -11.253 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.758 4.599 -8.469 1.00 0.00 H new ATOM 429 N ASN A 32 -14.498 8.247 -9.460 1.00 0.00 N ATOM 430 CA ASN A 32 -15.521 9.207 -9.061 1.00 0.00 C ATOM 431 C ASN A 32 -16.899 8.551 -9.027 1.00 0.00 C ATOM 432 O ASN A 32 -17.909 9.194 -9.311 1.00 0.00 O ATOM 433 CB ASN A 32 -15.534 10.398 -10.021 1.00 0.00 C ATOM 434 CG ASN A 32 -16.510 11.477 -9.590 1.00 0.00 C ATOM 435 OD1 ASN A 32 -17.018 11.458 -8.469 1.00 0.00 O ATOM 436 ND2 ASN A 32 -16.775 12.424 -10.482 1.00 0.00 N ATOM 0 H ASN A 32 -13.743 8.130 -8.785 1.00 0.00 H new ATOM 0 HA ASN A 32 -15.282 9.560 -8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.532 10.822 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.797 10.053 -11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.423 13.176 -10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.330 12.399 -11.400 1.00 0.00 H new ATOM 443 N GLN A 33 -16.929 7.269 -8.677 1.00 0.00 N ATOM 444 CA GLN A 33 -18.183 6.527 -8.606 1.00 0.00 C ATOM 445 C GLN A 33 -18.610 6.318 -7.158 1.00 0.00 C ATOM 446 O GLN A 33 -17.791 5.991 -6.299 1.00 0.00 O ATOM 447 CB GLN A 33 -18.040 5.176 -9.309 1.00 0.00 C ATOM 448 CG GLN A 33 -17.746 5.291 -10.796 1.00 0.00 C ATOM 449 CD GLN A 33 -19.006 5.376 -11.635 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.373 6.448 -12.117 1.00 0.00 O ATOM 451 NE2 GLN A 33 -19.676 4.244 -11.814 1.00 0.00 N ATOM 0 H GLN A 33 -16.101 6.723 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.952 7.112 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.240 4.611 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.959 4.606 -9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.135 6.176 -10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.160 4.429 -11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.335 3.378 -11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.531 4.240 -12.370 1.00 0.00 H new ATOM 460 N VAL A 34 -19.899 6.509 -6.892 1.00 0.00 N ATOM 461 CA VAL A 34 -20.436 6.341 -5.547 1.00 0.00 C ATOM 462 C VAL A 34 -20.125 4.952 -5.001 1.00 0.00 C ATOM 463 O VAL A 34 -20.536 3.943 -5.574 1.00 0.00 O ATOM 464 CB VAL A 34 -21.960 6.562 -5.520 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.637 5.754 -6.615 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.525 6.203 -4.154 1.00 0.00 C ATOM 0 H VAL A 34 -20.591 6.780 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.956 7.091 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 34 -22.160 7.617 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.713 5.923 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -22.253 6.064 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.431 4.694 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.603 6.365 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -22.315 5.156 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -22.062 6.831 -3.392 1.00 0.00 H new ATOM 476 N ILE A 35 -19.397 4.908 -3.891 1.00 0.00 N ATOM 477 CA ILE A 35 -19.032 3.642 -3.266 1.00 0.00 C ATOM 478 C ILE A 35 -20.108 3.182 -2.289 1.00 0.00 C ATOM 479 O ILE A 35 -20.445 3.892 -1.341 1.00 0.00 O ATOM 480 CB ILE A 35 -17.688 3.749 -2.522 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.587 4.215 -3.475 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.323 2.411 -1.895 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.427 4.888 -2.776 1.00 0.00 C ATOM 0 H ILE A 35 -19.048 5.734 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.936 2.909 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.788 4.487 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.215 3.357 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.015 4.907 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.371 2.502 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.098 2.117 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.238 1.655 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.684 5.192 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.786 5.766 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.974 4.192 -2.071 1.00 0.00 H new ATOM 495 N ARG A 36 -20.641 1.988 -2.524 1.00 0.00 N ATOM 496 CA ARG A 36 -21.679 1.431 -1.663 1.00 0.00 C ATOM 497 C ARG A 36 -21.081 0.461 -0.649 1.00 0.00 C ATOM 498 O ARG A 36 -21.283 0.604 0.556 1.00 0.00 O ATOM 499 CB ARG A 36 -22.740 0.718 -2.503 1.00 0.00 C ATOM 500 CG ARG A 36 -23.395 1.612 -3.543 1.00 0.00 C ATOM 501 CD ARG A 36 -24.646 2.281 -2.994 1.00 0.00 C ATOM 502 NE ARG A 36 -25.737 1.329 -2.802 1.00 0.00 N ATOM 503 CZ ARG A 36 -27.016 1.680 -2.741 1.00 0.00 C ATOM 504 NH1 ARG A 36 -27.364 2.955 -2.857 1.00 0.00 N ATOM 505 NH2 ARG A 36 -27.952 0.756 -2.565 1.00 0.00 N ATOM 0 H ARG A 36 -20.372 1.387 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.147 2.253 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.282 -0.134 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.509 0.321 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -22.686 2.374 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.653 1.021 -4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.413 2.761 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.967 3.067 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.503 0.340 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.648 3.669 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -28.347 3.222 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -27.689 -0.226 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -28.934 1.027 -2.518 1.00 0.00 H new ATOM 519 N GLY A 37 -20.343 -0.528 -1.147 1.00 0.00 N ATOM 520 CA GLY A 37 -19.728 -1.508 -0.271 1.00 0.00 C ATOM 521 C GLY A 37 -18.592 -0.924 0.545 1.00 0.00 C ATOM 522 O GLY A 37 -18.478 0.291 0.711 1.00 0.00 O ATOM 0 H GLY A 37 -20.161 -0.667 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.483 -1.914 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.353 -2.339 -0.868 1.00 0.00 H new ATOM 526 N PRO A 38 -17.726 -1.801 1.074 1.00 0.00 N ATOM 527 CA PRO A 38 -16.578 -1.388 1.887 1.00 0.00 C ATOM 528 C PRO A 38 -15.509 -0.679 1.063 1.00 0.00 C ATOM 529 O PRO A 38 -15.124 -1.148 -0.009 1.00 0.00 O ATOM 530 CB PRO A 38 -16.039 -2.711 2.437 1.00 0.00 C ATOM 531 CG PRO A 38 -16.476 -3.738 1.451 1.00 0.00 C ATOM 532 CD PRO A 38 -17.800 -3.263 0.917 1.00 0.00 C ATOM 0 HA PRO A 38 -16.862 -0.673 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.953 -2.688 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.439 -2.919 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.746 -3.843 0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.574 -4.716 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.939 -3.549 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.634 -3.686 1.477 1.00 0.00 H new ATOM 540 N PHE A 39 -15.031 0.453 1.569 1.00 0.00 N ATOM 541 CA PHE A 39 -14.006 1.227 0.879 1.00 0.00 C ATOM 542 C PHE A 39 -12.812 1.485 1.794 1.00 0.00 C ATOM 543 O PHE A 39 -12.849 1.174 2.985 1.00 0.00 O ATOM 544 CB PHE A 39 -14.584 2.556 0.389 1.00 0.00 C ATOM 545 CG PHE A 39 -14.960 3.493 1.502 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.983 4.116 2.260 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.292 3.749 1.789 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.326 4.979 3.284 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.641 4.610 2.811 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.657 5.225 3.561 1.00 0.00 C ATOM 0 H PHE A 39 -15.337 0.855 2.455 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.665 0.649 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.854 3.045 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.465 2.357 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.941 3.926 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.065 3.270 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.555 5.460 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.682 4.802 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.928 5.897 4.362 1.00 0.00 H new ATOM 560 N LEU A 40 -11.754 2.054 1.228 1.00 0.00 N ATOM 561 CA LEU A 40 -10.547 2.354 1.991 1.00 0.00 C ATOM 562 C LEU A 40 -10.301 3.858 2.052 1.00 0.00 C ATOM 563 O LEU A 40 -10.372 4.551 1.037 1.00 0.00 O ATOM 564 CB LEU A 40 -9.338 1.654 1.367 1.00 0.00 C ATOM 565 CG LEU A 40 -9.628 0.346 0.628 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.530 0.050 -0.381 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.772 -0.803 1.615 1.00 0.00 C ATOM 0 H LEU A 40 -11.707 2.317 0.244 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.689 1.986 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.863 2.344 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.614 1.450 2.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.569 0.455 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.752 -0.884 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.474 0.862 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.575 -0.040 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.978 -1.725 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.847 -0.914 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.594 -0.594 2.300 1.00 0.00 H new ATOM 579 N VAL A 41 -10.011 4.357 3.249 1.00 0.00 N ATOM 580 CA VAL A 41 -9.751 5.778 3.443 1.00 0.00 C ATOM 581 C VAL A 41 -8.274 6.035 3.718 1.00 0.00 C ATOM 582 O VAL A 41 -7.737 5.599 4.736 1.00 0.00 O ATOM 583 CB VAL A 41 -10.585 6.348 4.606 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.727 5.318 5.716 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.957 7.629 5.134 1.00 0.00 C ATOM 0 H VAL A 41 -9.950 3.798 4.100 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.038 6.280 2.519 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.581 6.585 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.319 5.738 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.224 4.430 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.739 5.047 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.559 8.018 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.949 7.420 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.913 8.369 4.335 1.00 0.00 H new ATOM 595 N ALA A 42 -7.622 6.745 2.804 1.00 0.00 N ATOM 596 CA ALA A 42 -6.206 7.062 2.949 1.00 0.00 C ATOM 597 C ALA A 42 -5.887 8.431 2.357 1.00 0.00 C ATOM 598 O ALA A 42 -6.685 8.996 1.608 1.00 0.00 O ATOM 599 CB ALA A 42 -5.355 5.988 2.289 1.00 0.00 C ATOM 0 H ALA A 42 -8.051 7.112 1.955 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.972 7.092 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.300 6.237 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.554 5.025 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.600 5.930 1.228 1.00 0.00 H new ATOM 605 N LEU A 43 -4.716 8.959 2.697 1.00 0.00 N ATOM 606 CA LEU A 43 -4.291 10.262 2.200 1.00 0.00 C ATOM 607 C LEU A 43 -5.441 11.264 2.245 1.00 0.00 C ATOM 608 O LEU A 43 -5.578 12.108 1.360 1.00 0.00 O ATOM 609 CB LEU A 43 -3.765 10.137 0.769 1.00 0.00 C ATOM 610 CG LEU A 43 -2.431 9.410 0.605 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.349 10.086 1.433 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.569 7.946 0.999 1.00 0.00 C ATOM 0 H LEU A 43 -4.044 8.504 3.315 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.491 10.626 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.515 9.618 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.663 11.139 0.352 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.140 9.458 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.406 9.554 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.231 11.119 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.633 10.070 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.609 7.444 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.883 7.878 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.313 7.467 0.363 1.00 0.00 H new ATOM 624 N GLY A 44 -6.264 11.165 3.285 1.00 0.00 N ATOM 625 CA GLY A 44 -7.390 12.070 3.428 1.00 0.00 C ATOM 626 C GLY A 44 -8.381 11.947 2.288 1.00 0.00 C ATOM 627 O GLY A 44 -8.900 12.948 1.795 1.00 0.00 O ATOM 0 H GLY A 44 -6.171 10.475 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.898 11.867 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.024 13.095 3.478 1.00 0.00 H new ATOM 631 N LYS A 45 -8.645 10.715 1.865 1.00 0.00 N ATOM 632 CA LYS A 45 -9.580 10.463 0.775 1.00 0.00 C ATOM 633 C LYS A 45 -10.019 9.002 0.762 1.00 0.00 C ATOM 634 O LYS A 45 -9.520 8.187 1.538 1.00 0.00 O ATOM 635 CB LYS A 45 -8.940 10.826 -0.567 1.00 0.00 C ATOM 636 CG LYS A 45 -9.944 11.261 -1.621 1.00 0.00 C ATOM 637 CD LYS A 45 -9.322 12.220 -2.622 1.00 0.00 C ATOM 638 CE LYS A 45 -9.340 13.651 -2.107 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.169 13.942 -1.235 1.00 0.00 N ATOM 0 H LYS A 45 -8.224 9.875 2.261 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.460 11.087 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.219 11.628 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.384 9.966 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.326 10.385 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.796 11.740 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.295 11.919 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.864 12.165 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.344 14.341 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.260 13.824 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.919 14.948 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.408 13.721 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.361 13.360 -1.534 1.00 0.00 H new ATOM 653 N SER A 46 -10.954 8.678 -0.125 1.00 0.00 N ATOM 654 CA SER A 46 -11.462 7.316 -0.237 1.00 0.00 C ATOM 655 C SER A 46 -10.997 6.668 -1.538 1.00 0.00 C ATOM 656 O SER A 46 -10.586 7.354 -2.474 1.00 0.00 O ATOM 657 CB SER A 46 -12.990 7.311 -0.171 1.00 0.00 C ATOM 658 OG SER A 46 -13.555 7.760 -1.390 1.00 0.00 O ATOM 0 H SER A 46 -11.375 9.340 -0.777 1.00 0.00 H new ATOM 0 HA SER A 46 -11.067 6.738 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.344 6.304 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.324 7.951 0.646 1.00 0.00 H new ATOM 0 HG SER A 46 -14.485 7.456 -1.451 1.00 0.00 H new ATOM 664 N TRP A 47 -11.064 5.342 -1.588 1.00 0.00 N ATOM 665 CA TRP A 47 -10.649 4.601 -2.774 1.00 0.00 C ATOM 666 C TRP A 47 -11.266 3.206 -2.787 1.00 0.00 C ATOM 667 O TRP A 47 -11.630 2.668 -1.740 1.00 0.00 O ATOM 668 CB TRP A 47 -9.124 4.498 -2.829 1.00 0.00 C ATOM 669 CG TRP A 47 -8.428 5.733 -2.344 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.320 6.159 -1.050 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.744 6.702 -3.145 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.611 7.334 -1.000 1.00 0.00 N ATOM 673 CE2 TRP A 47 -7.245 7.688 -2.272 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.502 6.832 -4.515 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.522 8.788 -2.726 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.784 7.924 -4.965 1.00 0.00 C ATOM 677 CH2 TRP A 47 -6.300 8.890 -4.072 1.00 0.00 C ATOM 0 H TRP A 47 -11.401 4.759 -0.822 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.001 5.142 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.802 3.648 -2.227 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.817 4.296 -3.855 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.732 5.647 -0.193 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.392 7.858 -0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.870 6.092 -5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.150 9.534 -2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.593 8.035 -6.022 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.741 9.731 -4.454 1.00 0.00 H new ATOM 688 N HIS A 48 -11.381 2.625 -3.977 1.00 0.00 N ATOM 689 CA HIS A 48 -11.953 1.292 -4.125 1.00 0.00 C ATOM 690 C HIS A 48 -10.942 0.220 -3.731 1.00 0.00 C ATOM 691 O HIS A 48 -9.768 0.273 -4.100 1.00 0.00 O ATOM 692 CB HIS A 48 -12.415 1.069 -5.565 1.00 0.00 C ATOM 693 CG HIS A 48 -13.843 1.454 -5.802 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.275 2.069 -6.958 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.941 1.305 -5.025 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.576 2.284 -6.881 1.00 0.00 C ATOM 697 NE2 HIS A 48 -16.005 1.829 -5.717 1.00 0.00 N ATOM 0 H HIS A 48 -11.086 3.057 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.813 1.217 -3.460 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.776 1.643 -6.236 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.283 0.018 -5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.974 0.857 -4.043 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.185 2.752 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.969 1.862 -5.386 1.00 0.00 H new ATOM 705 N PRO A 49 -11.405 -0.777 -2.962 1.00 0.00 N ATOM 706 CA PRO A 49 -10.557 -1.880 -2.501 1.00 0.00 C ATOM 707 C PRO A 49 -10.151 -2.813 -3.637 1.00 0.00 C ATOM 708 O PRO A 49 -9.328 -3.710 -3.452 1.00 0.00 O ATOM 709 CB PRO A 49 -11.447 -2.617 -1.497 1.00 0.00 C ATOM 710 CG PRO A 49 -12.839 -2.297 -1.920 1.00 0.00 C ATOM 711 CD PRO A 49 -12.792 -0.904 -2.484 1.00 0.00 C ATOM 0 HA PRO A 49 -9.619 -1.522 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.263 -3.691 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.256 -2.282 -0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.193 -3.008 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.526 -2.353 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.510 -0.774 -3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.026 -0.156 -1.727 1.00 0.00 H new ATOM 719 N GLU A 50 -10.733 -2.596 -4.812 1.00 0.00 N ATOM 720 CA GLU A 50 -10.431 -3.418 -5.978 1.00 0.00 C ATOM 721 C GLU A 50 -9.526 -2.670 -6.952 1.00 0.00 C ATOM 722 O GLU A 50 -8.894 -3.276 -7.817 1.00 0.00 O ATOM 723 CB GLU A 50 -11.723 -3.836 -6.683 1.00 0.00 C ATOM 724 CG GLU A 50 -12.387 -2.709 -7.455 1.00 0.00 C ATOM 725 CD GLU A 50 -13.805 -3.045 -7.875 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.651 -3.261 -6.982 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.068 -3.093 -9.094 1.00 0.00 O ATOM 0 H GLU A 50 -11.416 -1.858 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.907 -4.310 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.504 -4.655 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.424 -4.219 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.398 -1.809 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.794 -2.482 -8.341 1.00 0.00 H new ATOM 734 N GLU A 51 -9.470 -1.350 -6.804 1.00 0.00 N ATOM 735 CA GLU A 51 -8.644 -0.519 -7.672 1.00 0.00 C ATOM 736 C GLU A 51 -7.366 -0.088 -6.957 1.00 0.00 C ATOM 737 O GLU A 51 -6.282 -0.097 -7.541 1.00 0.00 O ATOM 738 CB GLU A 51 -9.426 0.714 -8.131 1.00 0.00 C ATOM 739 CG GLU A 51 -10.549 0.395 -9.102 1.00 0.00 C ATOM 740 CD GLU A 51 -11.125 1.637 -9.755 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.467 2.588 -9.022 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.235 1.657 -10.999 1.00 0.00 O ATOM 0 H GLU A 51 -9.986 -0.834 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.369 -1.111 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.844 1.215 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.738 1.416 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.176 -0.278 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.342 -0.134 -8.574 1.00 0.00 H new ATOM 749 N PHE A 52 -7.503 0.290 -5.691 1.00 0.00 N ATOM 750 CA PHE A 52 -6.361 0.726 -4.896 1.00 0.00 C ATOM 751 C PHE A 52 -5.175 -0.216 -5.084 1.00 0.00 C ATOM 752 O PHE A 52 -5.145 -1.312 -4.527 1.00 0.00 O ATOM 753 CB PHE A 52 -6.740 0.796 -3.415 1.00 0.00 C ATOM 754 CG PHE A 52 -5.825 1.665 -2.602 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.473 2.930 -3.046 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.315 1.218 -1.393 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.630 3.731 -2.300 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.472 2.015 -0.643 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.129 3.274 -1.097 1.00 0.00 C ATOM 0 H PHE A 52 -8.393 0.303 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.071 1.720 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.759 1.173 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.735 -0.212 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.862 3.294 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.580 0.235 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.363 4.714 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.082 1.654 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.471 3.899 -0.512 1.00 0.00 H new ATOM 769 N ASN A 53 -4.200 0.221 -5.875 1.00 0.00 N ATOM 770 CA ASN A 53 -3.012 -0.582 -6.139 1.00 0.00 C ATOM 771 C ASN A 53 -1.764 0.293 -6.190 1.00 0.00 C ATOM 772 O ASN A 53 -1.853 1.513 -6.335 1.00 0.00 O ATOM 773 CB ASN A 53 -3.169 -1.344 -7.457 1.00 0.00 C ATOM 774 CG ASN A 53 -3.740 -0.477 -8.562 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.370 0.689 -8.706 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.648 -1.043 -9.349 1.00 0.00 N ATOM 0 H ASN A 53 -4.210 1.127 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.899 -1.297 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.198 -1.731 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.820 -2.204 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.068 -0.508 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.925 -2.012 -9.193 1.00 0.00 H new ATOM 783 N CYS A 54 -0.600 -0.338 -6.071 1.00 0.00 N ATOM 784 CA CYS A 54 0.667 0.382 -6.104 1.00 0.00 C ATOM 785 C CYS A 54 0.814 1.166 -7.404 1.00 0.00 C ATOM 786 O CYS A 54 0.005 1.025 -8.321 1.00 0.00 O ATOM 787 CB CYS A 54 1.835 -0.594 -5.949 1.00 0.00 C ATOM 788 SG CYS A 54 3.373 0.177 -5.347 1.00 0.00 S ATOM 0 H CYS A 54 -0.509 -1.347 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 54 0.678 1.087 -5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.544 -1.386 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.030 -1.066 -6.912 1.00 0.00 H new ATOM 0 HG CYS A 54 3.156 1.431 -5.084 1.00 0.00 H new ATOM 793 N ALA A 55 1.852 1.993 -7.476 1.00 0.00 N ATOM 794 CA ALA A 55 2.107 2.798 -8.665 1.00 0.00 C ATOM 795 C ALA A 55 3.148 2.137 -9.562 1.00 0.00 C ATOM 796 O ALA A 55 3.179 2.372 -10.771 1.00 0.00 O ATOM 797 CB ALA A 55 2.559 4.195 -8.268 1.00 0.00 C ATOM 0 H ALA A 55 2.530 2.123 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 55 1.177 2.875 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.746 4.786 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.781 4.674 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.475 4.128 -7.680 1.00 0.00 H new ATOM 803 N HIS A 56 4.001 1.312 -8.963 1.00 0.00 N ATOM 804 CA HIS A 56 5.044 0.617 -9.710 1.00 0.00 C ATOM 805 C HIS A 56 4.669 -0.844 -9.938 1.00 0.00 C ATOM 806 O HIS A 56 4.499 -1.282 -11.076 1.00 0.00 O ATOM 807 CB HIS A 56 6.377 0.703 -8.964 1.00 0.00 C ATOM 808 CG HIS A 56 7.348 -0.369 -9.349 1.00 0.00 C ATOM 809 ND1 HIS A 56 7.772 -1.464 -8.675 1.00 0.00 N flip ATOM 810 CD2 HIS A 56 8.008 -0.388 -10.560 1.00 0.00 C flip ATOM 811 CE1 HIS A 56 8.670 -2.117 -9.482 1.00 0.00 C flip ATOM 812 NE2 HIS A 56 8.795 -1.448 -10.614 1.00 0.00 N flip ATOM 0 H HIS A 56 3.991 1.108 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 56 5.146 1.102 -10.681 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.829 1.677 -9.155 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.189 0.643 -7.892 1.00 0.00 H new ATOM 0 HD1 HIS A 56 7.479 -1.750 -7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.899 0.349 -11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.190 -3.030 -9.232 1.00 0.00 H new ATOM 821 N CYS A 57 4.542 -1.594 -8.848 1.00 0.00 N ATOM 822 CA CYS A 57 4.188 -3.006 -8.928 1.00 0.00 C ATOM 823 C CYS A 57 2.688 -3.179 -9.150 1.00 0.00 C ATOM 824 O CYS A 57 2.206 -4.289 -9.375 1.00 0.00 O ATOM 825 CB CYS A 57 4.612 -3.733 -7.651 1.00 0.00 C ATOM 826 SG CYS A 57 3.645 -3.272 -6.177 1.00 0.00 S ATOM 0 H CYS A 57 4.679 -1.247 -7.899 1.00 0.00 H new ATOM 0 HA CYS A 57 4.716 -3.439 -9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.522 -4.808 -7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.665 -3.526 -7.461 1.00 0.00 H new ATOM 0 HG CYS A 57 3.815 -2.008 -5.924 1.00 0.00 H new ATOM 831 N LYS A 58 1.954 -2.072 -9.087 1.00 0.00 N ATOM 832 CA LYS A 58 0.510 -2.099 -9.282 1.00 0.00 C ATOM 833 C LYS A 58 -0.125 -3.241 -8.495 1.00 0.00 C ATOM 834 O LYS A 58 -0.984 -3.958 -9.007 1.00 0.00 O ATOM 835 CB LYS A 58 0.178 -2.245 -10.769 1.00 0.00 C ATOM 836 CG LYS A 58 0.788 -1.158 -11.637 1.00 0.00 C ATOM 837 CD LYS A 58 -0.052 0.108 -11.618 1.00 0.00 C ATOM 838 CE LYS A 58 0.112 0.905 -12.903 1.00 0.00 C ATOM 839 NZ LYS A 58 1.520 1.346 -13.107 1.00 0.00 N ATOM 0 H LYS A 58 2.337 -1.145 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 58 0.102 -1.157 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.529 -3.216 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.905 -2.233 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.795 -0.933 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.881 -1.519 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.102 -0.153 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.237 0.725 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.204 0.297 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.541 1.777 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.541 2.143 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.925 1.646 -12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.079 0.557 -13.491 1.00 0.00 H new ATOM 853 N ASN A 59 0.304 -3.404 -7.247 1.00 0.00 N ATOM 854 CA ASN A 59 -0.224 -4.459 -6.389 1.00 0.00 C ATOM 855 C ASN A 59 -1.274 -3.906 -5.430 1.00 0.00 C ATOM 856 O ASN A 59 -1.225 -2.737 -5.044 1.00 0.00 O ATOM 857 CB ASN A 59 0.909 -5.116 -5.599 1.00 0.00 C ATOM 858 CG ASN A 59 1.806 -5.970 -6.475 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.482 -6.248 -7.630 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.940 -6.391 -5.928 1.00 0.00 N ATOM 0 H ASN A 59 1.015 -2.819 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.697 -5.208 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.507 -4.343 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.485 -5.733 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.583 -6.969 -6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.168 -6.136 -4.967 1.00 0.00 H new ATOM 867 N THR A 60 -2.223 -4.754 -5.048 1.00 0.00 N ATOM 868 CA THR A 60 -3.285 -4.351 -4.135 1.00 0.00 C ATOM 869 C THR A 60 -2.713 -3.763 -2.851 1.00 0.00 C ATOM 870 O THR A 60 -2.015 -4.445 -2.101 1.00 0.00 O ATOM 871 CB THR A 60 -4.200 -5.538 -3.779 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.008 -5.211 -2.643 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.379 -6.784 -3.482 1.00 0.00 C ATOM 0 H THR A 60 -2.278 -5.725 -5.357 1.00 0.00 H new ATOM 0 HA THR A 60 -3.872 -3.590 -4.650 1.00 0.00 H new ATOM 0 HB THR A 60 -4.843 -5.741 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.588 -5.970 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.047 -7.609 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.788 -7.048 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.714 -6.589 -2.641 1.00 0.00 H new ATOM 881 N MET A 61 -3.012 -2.492 -2.603 1.00 0.00 N ATOM 882 CA MET A 61 -2.527 -1.812 -1.407 1.00 0.00 C ATOM 883 C MET A 61 -3.636 -1.686 -0.367 1.00 0.00 C ATOM 884 O MET A 61 -3.830 -0.623 0.221 1.00 0.00 O ATOM 885 CB MET A 61 -1.989 -0.426 -1.766 1.00 0.00 C ATOM 886 CG MET A 61 -0.760 -0.464 -2.661 1.00 0.00 C ATOM 887 SD MET A 61 0.235 1.035 -2.538 1.00 0.00 S ATOM 888 CE MET A 61 -0.926 2.262 -3.133 1.00 0.00 C ATOM 0 H MET A 61 -3.587 -1.912 -3.214 1.00 0.00 H new ATOM 0 HA MET A 61 -1.720 -2.408 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.774 0.142 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.744 0.108 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.147 -1.325 -2.394 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.073 -0.604 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.524 2.740 -4.027 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.873 1.780 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.088 3.014 -2.361 1.00 0.00 H new ATOM 898 N ALA A 62 -4.360 -2.778 -0.145 1.00 0.00 N ATOM 899 CA ALA A 62 -5.447 -2.790 0.826 1.00 0.00 C ATOM 900 C ALA A 62 -4.961 -3.271 2.189 1.00 0.00 C ATOM 901 O ALA A 62 -5.165 -2.603 3.203 1.00 0.00 O ATOM 902 CB ALA A 62 -6.588 -3.667 0.330 1.00 0.00 C ATOM 0 H ALA A 62 -4.213 -3.666 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.811 -1.769 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.393 -3.667 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.961 -3.277 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.228 -4.686 0.186 1.00 0.00 H new ATOM 908 N TYR A 63 -4.318 -4.433 2.206 1.00 0.00 N ATOM 909 CA TYR A 63 -3.806 -5.005 3.445 1.00 0.00 C ATOM 910 C TYR A 63 -2.404 -4.486 3.747 1.00 0.00 C ATOM 911 O TYR A 63 -2.081 -4.165 4.891 1.00 0.00 O ATOM 912 CB TYR A 63 -3.788 -6.532 3.358 1.00 0.00 C ATOM 913 CG TYR A 63 -5.085 -7.125 2.855 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.345 -7.226 1.494 1.00 0.00 C ATOM 915 CD2 TYR A 63 -6.051 -7.585 3.742 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.529 -7.766 1.031 1.00 0.00 C ATOM 917 CE2 TYR A 63 -7.237 -8.128 3.288 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.472 -8.216 1.932 1.00 0.00 C ATOM 919 OH TYR A 63 -8.652 -8.756 1.474 1.00 0.00 O ATOM 0 H TYR A 63 -4.139 -4.997 1.375 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.469 -4.701 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.977 -6.840 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.569 -6.941 4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.609 -6.876 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.871 -7.517 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.716 -7.836 -0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.976 -8.482 3.991 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.206 -9.025 2.236 1.00 0.00 H new ATOM 929 N ILE A 64 -1.575 -4.405 2.711 1.00 0.00 N ATOM 930 CA ILE A 64 -0.208 -3.923 2.863 1.00 0.00 C ATOM 931 C ILE A 64 -0.179 -2.416 3.100 1.00 0.00 C ATOM 932 O ILE A 64 -1.207 -1.745 3.018 1.00 0.00 O ATOM 933 CB ILE A 64 0.647 -4.253 1.625 1.00 0.00 C ATOM 934 CG1 ILE A 64 -0.029 -3.729 0.357 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.879 -5.754 1.527 1.00 0.00 C ATOM 936 CD1 ILE A 64 0.847 -3.811 -0.873 1.00 0.00 C ATOM 0 H ILE A 64 -1.827 -4.667 1.758 1.00 0.00 H new ATOM 0 HA ILE A 64 0.211 -4.433 3.730 1.00 0.00 H new ATOM 0 HB ILE A 64 1.614 -3.761 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.943 -4.297 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.324 -2.692 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.485 -5.972 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.398 -6.101 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.080 -6.266 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.303 -3.422 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.749 -3.220 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.121 -4.850 -1.056 1.00 0.00 H new ATOM 948 N GLY A 65 1.007 -1.891 3.391 1.00 0.00 N ATOM 949 CA GLY A 65 1.148 -0.467 3.633 1.00 0.00 C ATOM 950 C GLY A 65 1.464 0.307 2.368 1.00 0.00 C ATOM 951 O GLY A 65 1.381 -0.232 1.265 1.00 0.00 O ATOM 0 H GLY A 65 1.872 -2.426 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.226 -0.083 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.940 -0.302 4.364 1.00 0.00 H new ATOM 955 N PHE A 66 1.826 1.576 2.528 1.00 0.00 N ATOM 956 CA PHE A 66 2.153 2.427 1.390 1.00 0.00 C ATOM 957 C PHE A 66 2.808 3.725 1.852 1.00 0.00 C ATOM 958 O PHE A 66 2.603 4.170 2.981 1.00 0.00 O ATOM 959 CB PHE A 66 0.893 2.739 0.581 1.00 0.00 C ATOM 960 CG PHE A 66 -0.267 3.184 1.425 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.387 4.506 1.820 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.238 2.279 1.823 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.452 4.918 2.597 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.307 2.685 2.601 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.414 4.007 2.987 1.00 0.00 C ATOM 0 H PHE A 66 1.900 2.037 3.435 1.00 0.00 H new ATOM 0 HA PHE A 66 2.859 1.889 0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.122 3.517 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.603 1.852 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.361 5.223 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.159 1.245 1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.532 5.952 2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.057 1.970 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.249 4.328 3.593 1.00 0.00 H new ATOM 975 N VAL A 67 3.599 4.328 0.970 1.00 0.00 N ATOM 976 CA VAL A 67 4.285 5.576 1.286 1.00 0.00 C ATOM 977 C VAL A 67 4.064 6.616 0.194 1.00 0.00 C ATOM 978 O VAL A 67 4.253 6.337 -0.990 1.00 0.00 O ATOM 979 CB VAL A 67 5.798 5.353 1.469 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.455 6.599 2.045 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.055 4.145 2.357 1.00 0.00 C ATOM 0 H VAL A 67 3.781 3.973 0.031 1.00 0.00 H new ATOM 0 HA VAL A 67 3.863 5.942 2.222 1.00 0.00 H new ATOM 0 HB VAL A 67 6.240 5.157 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.524 6.423 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.301 7.438 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.012 6.829 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.129 4.002 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.601 4.309 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.619 3.257 1.899 1.00 0.00 H new ATOM 991 N GLU A 68 3.662 7.816 0.600 1.00 0.00 N ATOM 992 CA GLU A 68 3.415 8.899 -0.345 1.00 0.00 C ATOM 993 C GLU A 68 4.703 9.656 -0.654 1.00 0.00 C ATOM 994 O GLU A 68 5.342 10.206 0.242 1.00 0.00 O ATOM 995 CB GLU A 68 2.365 9.863 0.212 1.00 0.00 C ATOM 996 CG GLU A 68 2.300 11.187 -0.531 1.00 0.00 C ATOM 997 CD GLU A 68 1.218 12.104 0.007 1.00 0.00 C ATOM 998 OE1 GLU A 68 0.885 11.989 1.205 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.706 12.936 -0.769 1.00 0.00 O ATOM 0 H GLU A 68 3.500 8.063 1.576 1.00 0.00 H new ATOM 0 HA GLU A 68 3.041 8.461 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.387 9.384 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.582 10.056 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.265 11.688 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.118 10.997 -1.589 1.00 0.00 H new ATOM 1006 N GLU A 69 5.078 9.679 -1.930 1.00 0.00 N ATOM 1007 CA GLU A 69 6.291 10.367 -2.357 1.00 0.00 C ATOM 1008 C GLU A 69 6.137 10.912 -3.774 1.00 0.00 C ATOM 1009 O GLU A 69 5.631 10.228 -4.663 1.00 0.00 O ATOM 1010 CB GLU A 69 7.491 9.420 -2.290 1.00 0.00 C ATOM 1011 CG GLU A 69 8.823 10.109 -2.536 1.00 0.00 C ATOM 1012 CD GLU A 69 9.214 10.116 -4.001 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.710 9.258 -4.755 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.025 10.982 -4.394 1.00 0.00 O ATOM 0 H GLU A 69 4.560 9.230 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 69 6.460 11.205 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.513 8.944 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.360 8.627 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.769 11.135 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.600 9.607 -1.959 1.00 0.00 H new ATOM 1021 N LYS A 70 6.577 12.149 -3.976 1.00 0.00 N ATOM 1022 CA LYS A 70 6.489 12.789 -5.284 1.00 0.00 C ATOM 1023 C LYS A 70 5.168 12.451 -5.967 1.00 0.00 C ATOM 1024 O LYS A 70 5.138 12.117 -7.151 1.00 0.00 O ATOM 1025 CB LYS A 70 7.660 12.351 -6.167 1.00 0.00 C ATOM 1026 CG LYS A 70 8.985 12.982 -5.778 1.00 0.00 C ATOM 1027 CD LYS A 70 9.146 14.364 -6.389 1.00 0.00 C ATOM 1028 CE LYS A 70 10.478 14.991 -6.006 1.00 0.00 C ATOM 1029 NZ LYS A 70 11.626 14.289 -6.644 1.00 0.00 N ATOM 0 H LYS A 70 6.998 12.729 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 70 6.536 13.868 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.755 11.266 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.437 12.604 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.050 13.054 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.804 12.341 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.074 14.294 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.331 15.007 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.484 16.040 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.593 14.965 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.501 14.824 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.717 13.335 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.463 14.217 -7.669 1.00 0.00 H new ATOM 1043 N GLY A 71 4.077 12.541 -5.213 1.00 0.00 N ATOM 1044 CA GLY A 71 2.768 12.244 -5.765 1.00 0.00 C ATOM 1045 C GLY A 71 2.649 10.806 -6.232 1.00 0.00 C ATOM 1046 O GLY A 71 2.087 10.536 -7.292 1.00 0.00 O ATOM 0 H GLY A 71 4.076 12.814 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.006 12.443 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.570 12.913 -6.603 1.00 0.00 H new ATOM 1050 N ALA A 72 3.180 9.882 -5.438 1.00 0.00 N ATOM 1051 CA ALA A 72 3.131 8.465 -5.776 1.00 0.00 C ATOM 1052 C ALA A 72 3.113 7.602 -4.520 1.00 0.00 C ATOM 1053 O ALA A 72 3.847 7.861 -3.565 1.00 0.00 O ATOM 1054 CB ALA A 72 4.312 8.091 -6.659 1.00 0.00 C ATOM 0 H ALA A 72 3.649 10.089 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 72 2.208 8.280 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.262 7.030 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.279 8.677 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.242 8.298 -6.130 1.00 0.00 H new ATOM 1060 N LEU A 73 2.270 6.575 -4.525 1.00 0.00 N ATOM 1061 CA LEU A 73 2.156 5.672 -3.385 1.00 0.00 C ATOM 1062 C LEU A 73 2.925 4.379 -3.635 1.00 0.00 C ATOM 1063 O LEU A 73 2.595 3.614 -4.541 1.00 0.00 O ATOM 1064 CB LEU A 73 0.686 5.358 -3.102 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.215 6.561 -2.819 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.679 6.152 -2.855 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.135 7.184 -1.475 1.00 0.00 C ATOM 0 H LEU A 73 1.655 6.347 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 73 2.589 6.168 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.279 4.818 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.637 4.684 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.049 7.306 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.305 7.021 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.921 5.753 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.862 5.388 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.516 8.039 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.002 6.446 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.174 7.515 -1.487 1.00 0.00 H new ATOM 1079 N TYR A 74 3.950 4.140 -2.824 1.00 0.00 N ATOM 1080 CA TYR A 74 4.767 2.939 -2.958 1.00 0.00 C ATOM 1081 C TYR A 74 4.607 2.034 -1.740 1.00 0.00 C ATOM 1082 O TYR A 74 4.727 2.481 -0.599 1.00 0.00 O ATOM 1083 CB TYR A 74 6.238 3.315 -3.138 1.00 0.00 C ATOM 1084 CG TYR A 74 6.487 4.248 -4.301 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.298 3.823 -5.611 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.911 5.554 -4.092 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.525 4.672 -6.677 1.00 0.00 C ATOM 1088 CE2 TYR A 74 7.139 6.410 -5.152 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.944 5.964 -6.442 1.00 0.00 C ATOM 1090 OH TYR A 74 7.171 6.814 -7.501 1.00 0.00 O ATOM 0 H TYR A 74 4.235 4.762 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 74 4.428 2.395 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.599 3.785 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.822 2.406 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.968 2.812 -5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 74 7.065 5.907 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.375 4.325 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.468 7.423 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 74 7.460 7.687 -7.163 1.00 0.00 H new ATOM 1100 N CYS A 75 4.336 0.757 -1.992 1.00 0.00 N ATOM 1101 CA CYS A 75 4.159 -0.213 -0.918 1.00 0.00 C ATOM 1102 C CYS A 75 5.463 -0.423 -0.154 1.00 0.00 C ATOM 1103 O CYS A 75 6.550 -0.282 -0.713 1.00 0.00 O ATOM 1104 CB CYS A 75 3.667 -1.547 -1.484 1.00 0.00 C ATOM 1105 SG CYS A 75 4.843 -2.353 -2.618 1.00 0.00 S ATOM 0 H CYS A 75 4.234 0.370 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 75 3.413 0.179 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.454 -2.224 -0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.727 -1.382 -2.010 1.00 0.00 H new ATOM 0 HG CYS A 75 4.260 -2.583 -3.757 1.00 0.00 H new ATOM 1110 N GLU A 76 5.345 -0.760 1.126 1.00 0.00 N ATOM 1111 CA GLU A 76 6.515 -0.988 1.966 1.00 0.00 C ATOM 1112 C GLU A 76 7.520 -1.898 1.265 1.00 0.00 C ATOM 1113 O GLU A 76 8.728 -1.789 1.480 1.00 0.00 O ATOM 1114 CB GLU A 76 6.098 -1.606 3.302 1.00 0.00 C ATOM 1115 CG GLU A 76 5.286 -2.883 3.156 1.00 0.00 C ATOM 1116 CD GLU A 76 5.169 -3.652 4.457 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.171 -3.715 5.201 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.077 -4.191 4.732 1.00 0.00 O ATOM 0 H GLU A 76 4.452 -0.881 1.604 1.00 0.00 H new ATOM 0 HA GLU A 76 6.990 -0.025 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.992 -1.819 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.514 -0.877 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.288 -2.635 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.750 -3.520 2.402 1.00 0.00 H new ATOM 1125 N LEU A 77 7.012 -2.794 0.425 1.00 0.00 N ATOM 1126 CA LEU A 77 7.864 -3.723 -0.309 1.00 0.00 C ATOM 1127 C LEU A 77 8.733 -2.983 -1.321 1.00 0.00 C ATOM 1128 O LEU A 77 9.924 -3.262 -1.455 1.00 0.00 O ATOM 1129 CB LEU A 77 7.011 -4.772 -1.023 1.00 0.00 C ATOM 1130 CG LEU A 77 6.138 -5.651 -0.126 1.00 0.00 C ATOM 1131 CD1 LEU A 77 4.726 -5.094 -0.044 1.00 0.00 C ATOM 1132 CD2 LEU A 77 6.119 -7.084 -0.639 1.00 0.00 C ATOM 0 H LEU A 77 6.015 -2.897 0.236 1.00 0.00 H new ATOM 0 HA LEU A 77 8.518 -4.221 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.365 -4.261 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.673 -5.419 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 77 6.565 -5.651 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.120 -5.733 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.756 -4.086 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.289 -5.063 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.493 -7.695 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.717 -7.103 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.134 -7.482 -0.644 1.00 0.00 H new ATOM 1144 N CYS A 78 8.129 -2.035 -2.030 1.00 0.00 N ATOM 1145 CA CYS A 78 8.846 -1.252 -3.028 1.00 0.00 C ATOM 1146 C CYS A 78 9.817 -0.281 -2.363 1.00 0.00 C ATOM 1147 O CYS A 78 11.006 -0.258 -2.683 1.00 0.00 O ATOM 1148 CB CYS A 78 7.859 -0.482 -3.908 1.00 0.00 C ATOM 1149 SG CYS A 78 6.993 -1.514 -5.134 1.00 0.00 S ATOM 0 H CYS A 78 7.144 -1.791 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 78 9.418 -1.940 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.120 0.001 -3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.396 0.310 -4.430 1.00 0.00 H new ATOM 0 HG CYS A 78 5.981 -2.103 -4.568 1.00 0.00 H new ATOM 1154 N TYR A 79 9.302 0.520 -1.437 1.00 0.00 N ATOM 1155 CA TYR A 79 10.122 1.495 -0.728 1.00 0.00 C ATOM 1156 C TYR A 79 11.378 0.841 -0.161 1.00 0.00 C ATOM 1157 O TYR A 79 12.497 1.248 -0.472 1.00 0.00 O ATOM 1158 CB TYR A 79 9.319 2.146 0.399 1.00 0.00 C ATOM 1159 CG TYR A 79 10.153 3.011 1.317 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.959 2.443 2.296 1.00 0.00 C ATOM 1161 CD2 TYR A 79 10.137 4.395 1.203 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.722 3.229 3.137 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.898 5.189 2.039 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.689 4.602 3.005 1.00 0.00 C ATOM 1165 OH TYR A 79 12.449 5.388 3.839 1.00 0.00 O ATOM 0 H TYR A 79 8.320 0.513 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 79 10.424 2.263 -1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.525 2.753 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.837 1.366 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.989 1.369 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.519 4.858 0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.341 2.771 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.874 6.264 1.937 1.00 0.00 H new ATOM 0 HH TYR A 79 12.312 6.332 3.613 1.00 0.00 H new ATOM 1175 N GLU A 80 11.183 -0.175 0.673 1.00 0.00 N ATOM 1176 CA GLU A 80 12.299 -0.887 1.285 1.00 0.00 C ATOM 1177 C GLU A 80 13.283 -1.369 0.224 1.00 0.00 C ATOM 1178 O GLU A 80 14.475 -1.526 0.491 1.00 0.00 O ATOM 1179 CB GLU A 80 11.789 -2.076 2.102 1.00 0.00 C ATOM 1180 CG GLU A 80 12.883 -2.804 2.865 1.00 0.00 C ATOM 1181 CD GLU A 80 12.338 -3.893 3.768 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.188 -5.038 3.292 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.062 -3.601 4.950 1.00 0.00 O ATOM 0 H GLU A 80 10.263 -0.524 0.941 1.00 0.00 H new ATOM 0 HA GLU A 80 12.817 -0.196 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.037 -1.725 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.294 -2.780 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.585 -3.243 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.442 -2.086 3.465 1.00 0.00 H new ATOM 1190 N LYS A 81 12.777 -1.604 -0.982 1.00 0.00 N ATOM 1191 CA LYS A 81 13.609 -2.068 -2.085 1.00 0.00 C ATOM 1192 C LYS A 81 14.407 -0.915 -2.688 1.00 0.00 C ATOM 1193 O LYS A 81 15.616 -1.023 -2.890 1.00 0.00 O ATOM 1194 CB LYS A 81 12.743 -2.722 -3.165 1.00 0.00 C ATOM 1195 CG LYS A 81 12.579 -4.221 -2.987 1.00 0.00 C ATOM 1196 CD LYS A 81 12.053 -4.878 -4.252 1.00 0.00 C ATOM 1197 CE LYS A 81 12.260 -6.385 -4.224 1.00 0.00 C ATOM 1198 NZ LYS A 81 11.198 -7.077 -3.442 1.00 0.00 N ATOM 0 H LYS A 81 11.793 -1.480 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 81 14.309 -2.806 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.758 -2.254 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.186 -2.527 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.538 -4.664 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.894 -4.418 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.991 -4.657 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.559 -4.456 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.268 -6.769 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.235 -6.610 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.375 -8.102 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.206 -6.729 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.270 -6.884 -3.870 1.00 0.00 H new ATOM 1212 N PHE A 82 13.722 0.188 -2.971 1.00 0.00 N ATOM 1213 CA PHE A 82 14.367 1.360 -3.550 1.00 0.00 C ATOM 1214 C PHE A 82 14.991 2.230 -2.462 1.00 0.00 C ATOM 1215 O PHE A 82 16.204 2.443 -2.443 1.00 0.00 O ATOM 1216 CB PHE A 82 13.355 2.180 -4.355 1.00 0.00 C ATOM 1217 CG PHE A 82 12.874 1.485 -5.596 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.595 1.568 -6.777 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.701 0.748 -5.583 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.153 0.931 -7.921 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.255 0.107 -6.724 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.983 0.198 -7.894 1.00 0.00 C ATOM 0 H PHE A 82 12.721 0.294 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 82 15.159 1.016 -4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.498 2.409 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.809 3.131 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.513 2.137 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.128 0.673 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.722 1.006 -8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.339 -0.464 -6.700 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.638 -0.303 -8.786 1.00 0.00 H new ATOM 1232 N PHE A 83 14.155 2.729 -1.558 1.00 0.00 N ATOM 1233 CA PHE A 83 14.623 3.576 -0.468 1.00 0.00 C ATOM 1234 C PHE A 83 15.645 2.839 0.393 1.00 0.00 C ATOM 1235 O PHE A 83 16.811 3.225 0.458 1.00 0.00 O ATOM 1236 CB PHE A 83 13.445 4.031 0.395 1.00 0.00 C ATOM 1237 CG PHE A 83 12.812 5.307 -0.080 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.842 5.289 -1.070 1.00 0.00 C ATOM 1239 CD2 PHE A 83 13.186 6.526 0.463 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.257 6.462 -1.509 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.604 7.702 0.028 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.639 7.670 -0.960 1.00 0.00 C ATOM 0 H PHE A 83 13.149 2.561 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 83 15.105 4.452 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.691 3.244 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.787 4.164 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.540 4.347 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.941 6.558 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.502 6.434 -2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.904 8.645 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.184 8.588 -1.302 1.00 0.00 H new ATOM 1252 N ALA A 84 15.196 1.776 1.053 1.00 0.00 N ATOM 1253 CA ALA A 84 16.070 0.983 1.909 1.00 0.00 C ATOM 1254 C ALA A 84 16.816 -0.074 1.103 1.00 0.00 C ATOM 1255 O ALA A 84 16.764 -1.262 1.421 1.00 0.00 O ATOM 1256 CB ALA A 84 15.266 0.330 3.024 1.00 0.00 C ATOM 0 H ALA A 84 14.232 1.444 1.011 1.00 0.00 H new ATOM 0 HA ALA A 84 16.808 1.652 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.931 -0.259 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.784 1.101 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.506 -0.321 2.591 1.00 0.00 H new