USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -0.366 X(o=-0.29,f=-0.52) USER MOD Set 1.2: A 85 SER OG : rot 68:sc= 0.081 USER MOD Single : A 11 THR OG1 : rot 43:sc= 0.49 USER MOD Single : A 13 ASN : amide:sc= -0.503 K(o=-0.5,f=-5.3!) USER MOD Single : A 17 CYS SG : rot -120:sc= -0.122 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 0.163 (180deg=0.0734) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.8) USER MOD Single : A 26 ASN : amide:sc=-0.00533 X(o=-0.0053,f=-0.04) USER MOD Single : A 27 TYR OH : rot 32:sc= -3.16! USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 37 THR OG1 : rot 80:sc= -0.0426 USER MOD Single : A 40 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.031) USER MOD Single : A 49 SER OG : rot -103:sc= 0.0772 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.54 K(o=-0.54,f=-1.1) USER MOD Single : A 77 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.39) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= -0.422 (180deg=-2.12!) USER MOD Single : A 87 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.27) USER MOD Single : A 88 SER OG : rot 32:sc= 0.0849 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -6:sc= -0.398 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00963) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.77) USER MOD Single : A 106 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.38) USER MOD Single : A 110 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.664) USER MOD Single : A 114 GLN : amide:sc= -0.818 X(o=-0.82,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -11.058 -11.484 7.856 1.00 0.00 N ATOM 105 CA THR A 11 -10.737 -10.160 7.339 1.00 0.00 C ATOM 106 C THR A 11 -9.916 -9.361 8.345 1.00 0.00 C ATOM 107 O THR A 11 -10.453 -8.830 9.317 1.00 0.00 O ATOM 108 CB THR A 11 -12.012 -9.369 6.989 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.905 -9.360 8.109 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.710 -9.975 5.781 1.00 0.00 C ATOM 0 HA THR A 11 -10.151 -10.308 6.432 1.00 0.00 H new ATOM 0 HB THR A 11 -11.724 -8.346 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.397 -9.194 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.607 -9.400 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.037 -9.954 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.986 -11.006 6.000 1.00 0.00 H new ATOM 118 N PHE A 12 -8.612 -9.279 8.105 1.00 0.00 N ATOM 119 CA PHE A 12 -7.717 -8.544 8.991 1.00 0.00 C ATOM 120 C PHE A 12 -8.168 -7.094 9.139 1.00 0.00 C ATOM 121 O PHE A 12 -9.208 -6.700 8.614 1.00 0.00 O ATOM 122 CB PHE A 12 -6.284 -8.592 8.456 1.00 0.00 C ATOM 123 CG PHE A 12 -5.617 -9.925 8.646 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.838 -10.958 7.750 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.770 -10.144 9.720 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.227 -12.186 7.923 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.155 -11.369 9.898 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.384 -12.391 8.998 1.00 0.00 C ATOM 0 H PHE A 12 -8.151 -9.712 7.305 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.748 -9.017 9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.293 -8.347 7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.693 -7.824 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.495 -10.802 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.588 -9.348 10.427 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.409 -12.984 7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.497 -11.527 10.739 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.905 -13.349 9.134 1.00 0.00 H new ATOM 138 N ASN A 13 -7.377 -6.305 9.859 1.00 0.00 N ATOM 139 CA ASN A 13 -7.695 -4.899 10.079 1.00 0.00 C ATOM 140 C ASN A 13 -6.562 -4.002 9.588 1.00 0.00 C ATOM 141 O ASN A 13 -5.716 -3.549 10.359 1.00 0.00 O ATOM 142 CB ASN A 13 -7.958 -4.640 11.563 1.00 0.00 C ATOM 143 CG ASN A 13 -6.773 -5.008 12.434 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.158 -6.059 12.252 1.00 0.00 O ATOM 145 ND2 ASN A 13 -6.447 -4.143 13.387 1.00 0.00 N ATOM 0 H ASN A 13 -6.511 -6.616 10.300 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.595 -4.663 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.198 -3.587 11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.830 -5.213 11.880 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.659 -4.337 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.985 -3.284 13.502 1.00 0.00 H new ATOM 152 N PRO A 14 -6.544 -3.739 8.273 1.00 0.00 N ATOM 153 CA PRO A 14 -5.521 -2.894 7.649 1.00 0.00 C ATOM 154 C PRO A 14 -5.664 -1.427 8.040 1.00 0.00 C ATOM 155 O PRO A 14 -6.745 -0.979 8.421 1.00 0.00 O ATOM 156 CB PRO A 14 -5.777 -3.074 6.151 1.00 0.00 C ATOM 157 CG PRO A 14 -7.216 -3.449 6.055 1.00 0.00 C ATOM 158 CD PRO A 14 -7.520 -4.245 7.294 1.00 0.00 C ATOM 0 HA PRO A 14 -4.515 -3.175 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.570 -2.156 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.137 -3.849 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.847 -2.562 5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.407 -4.037 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.545 -4.088 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.400 -5.315 7.124 1.00 0.00 H new ATOM 166 N ARG A 15 -4.566 -0.684 7.943 1.00 0.00 N ATOM 167 CA ARG A 15 -4.569 0.733 8.288 1.00 0.00 C ATOM 168 C ARG A 15 -4.635 1.598 7.033 1.00 0.00 C ATOM 169 O ARG A 15 -3.938 1.339 6.053 1.00 0.00 O ATOM 170 CB ARG A 15 -3.321 1.085 9.099 1.00 0.00 C ATOM 171 CG ARG A 15 -3.325 2.506 9.637 1.00 0.00 C ATOM 172 CD ARG A 15 -2.180 2.737 10.611 1.00 0.00 C ATOM 173 NE ARG A 15 -0.934 3.067 9.923 1.00 0.00 N ATOM 174 CZ ARG A 15 -0.113 2.156 9.412 1.00 0.00 C ATOM 175 NH1 ARG A 15 -0.404 0.866 9.512 1.00 0.00 N ATOM 176 NH2 ARG A 15 1.002 2.535 8.800 1.00 0.00 N ATOM 0 H ARG A 15 -3.663 -1.040 7.628 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.454 0.932 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.233 0.390 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.440 0.945 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.247 3.210 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.274 2.705 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.442 3.545 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.034 1.843 11.217 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.681 4.051 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.260 0.571 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.228 0.169 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.229 3.526 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.632 1.835 8.408 1.00 0.00 H new ATOM 190 N GLU A 16 -5.478 2.625 7.072 1.00 0.00 N ATOM 191 CA GLU A 16 -5.636 3.526 5.936 1.00 0.00 C ATOM 192 C GLU A 16 -4.854 4.819 6.156 1.00 0.00 C ATOM 193 O GLU A 16 -4.601 5.218 7.293 1.00 0.00 O ATOM 194 CB GLU A 16 -7.115 3.844 5.710 1.00 0.00 C ATOM 195 CG GLU A 16 -7.396 4.516 4.377 1.00 0.00 C ATOM 196 CD GLU A 16 -7.164 6.014 4.418 1.00 0.00 C ATOM 197 OE1 GLU A 16 -7.568 6.651 5.414 1.00 0.00 O ATOM 198 OE2 GLU A 16 -6.577 6.550 3.454 1.00 0.00 O ATOM 0 H GLU A 16 -6.061 2.854 7.877 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.240 3.027 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.690 2.920 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.466 4.490 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.759 4.074 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.428 4.320 4.086 1.00 0.00 H new ATOM 205 N CYS A 17 -4.475 5.467 5.060 1.00 0.00 N ATOM 206 CA CYS A 17 -3.721 6.714 5.132 1.00 0.00 C ATOM 207 C CYS A 17 -4.050 7.616 3.947 1.00 0.00 C ATOM 208 O CYS A 17 -4.000 7.188 2.794 1.00 0.00 O ATOM 209 CB CYS A 17 -2.220 6.425 5.168 1.00 0.00 C ATOM 210 SG CYS A 17 -1.684 5.482 6.614 1.00 0.00 S ATOM 0 H CYS A 17 -4.677 5.150 4.112 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.006 7.230 6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.945 5.876 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.678 7.370 5.143 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.817 6.177 7.288 1.00 0.00 H new ATOM 216 N LYS A 18 -4.387 8.868 4.239 1.00 0.00 N ATOM 217 CA LYS A 18 -4.724 9.832 3.199 1.00 0.00 C ATOM 218 C LYS A 18 -3.572 10.804 2.963 1.00 0.00 C ATOM 219 O LYS A 18 -3.419 11.788 3.688 1.00 0.00 O ATOM 220 CB LYS A 18 -5.988 10.606 3.582 1.00 0.00 C ATOM 221 CG LYS A 18 -7.274 9.917 3.161 1.00 0.00 C ATOM 222 CD LYS A 18 -8.498 10.703 3.602 1.00 0.00 C ATOM 223 CE LYS A 18 -9.757 9.852 3.545 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.763 10.282 4.555 1.00 0.00 N ATOM 0 H LYS A 18 -4.434 9.239 5.188 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.907 9.283 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.001 10.752 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.950 11.596 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.287 9.799 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.309 8.916 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.350 11.068 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.620 11.578 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.193 9.915 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.497 8.807 3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.606 9.678 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.356 10.198 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.031 11.271 4.379 1.00 0.00 H new ATOM 238 N LEU A 19 -2.766 10.523 1.946 1.00 0.00 N ATOM 239 CA LEU A 19 -1.628 11.373 1.613 1.00 0.00 C ATOM 240 C LEU A 19 -2.091 12.671 0.959 1.00 0.00 C ATOM 241 O LEU A 19 -3.027 12.675 0.160 1.00 0.00 O ATOM 242 CB LEU A 19 -0.668 10.633 0.681 1.00 0.00 C ATOM 243 CG LEU A 19 0.432 9.816 1.360 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.087 8.440 1.748 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.645 9.694 0.450 1.00 0.00 C ATOM 0 H LEU A 19 -2.879 9.713 1.337 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.107 11.619 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.251 9.964 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.197 11.363 0.023 1.00 0.00 H new ATOM 0 HG LEU A 19 0.736 10.336 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.710 7.873 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.924 8.548 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.419 7.911 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.417 9.110 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.356 9.197 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.031 10.688 0.224 1.00 0.00 H new ATOM 257 N SER A 20 -1.428 13.770 1.303 1.00 0.00 N ATOM 258 CA SER A 20 -1.772 15.075 0.751 1.00 0.00 C ATOM 259 C SER A 20 -0.525 15.803 0.259 1.00 0.00 C ATOM 260 O SER A 20 0.455 15.945 0.991 1.00 0.00 O ATOM 261 CB SER A 20 -2.491 15.923 1.801 1.00 0.00 C ATOM 262 OG SER A 20 -1.636 16.217 2.892 1.00 0.00 O ATOM 0 H SER A 20 -0.649 13.783 1.962 1.00 0.00 H new ATOM 0 HA SER A 20 -2.438 14.919 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.839 16.851 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.373 15.393 2.159 1.00 0.00 H new ATOM 0 HG SER A 20 -2.119 16.761 3.548 1.00 0.00 H new ATOM 268 N LYS A 21 -0.568 16.263 -0.987 1.00 0.00 N ATOM 269 CA LYS A 21 0.556 16.978 -1.579 1.00 0.00 C ATOM 270 C LYS A 21 0.070 18.053 -2.545 1.00 0.00 C ATOM 271 O LYS A 21 -1.019 17.946 -3.108 1.00 0.00 O ATOM 272 CB LYS A 21 1.481 16.001 -2.309 1.00 0.00 C ATOM 273 CG LYS A 21 0.876 15.423 -3.577 1.00 0.00 C ATOM 274 CD LYS A 21 1.940 14.823 -4.480 1.00 0.00 C ATOM 275 CE LYS A 21 1.441 14.678 -5.909 1.00 0.00 C ATOM 276 NZ LYS A 21 1.482 15.971 -6.645 1.00 0.00 N ATOM 0 H LYS A 21 -1.371 16.153 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 21 1.110 17.462 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.410 16.512 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.739 15.185 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.145 14.658 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.340 16.205 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.829 15.454 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.236 13.847 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.051 13.942 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.420 14.298 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.468 15.788 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.655 16.545 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.352 16.484 -6.397 1.00 0.00 H new ATOM 290 N GLN A 22 0.884 19.086 -2.733 1.00 0.00 N ATOM 291 CA GLN A 22 0.536 20.180 -3.632 1.00 0.00 C ATOM 292 C GLN A 22 1.051 19.910 -5.042 1.00 0.00 C ATOM 293 O GLN A 22 2.051 19.218 -5.225 1.00 0.00 O ATOM 294 CB GLN A 22 1.108 21.499 -3.111 1.00 0.00 C ATOM 295 CG GLN A 22 0.437 21.993 -1.839 1.00 0.00 C ATOM 296 CD GLN A 22 1.365 22.822 -0.974 1.00 0.00 C ATOM 297 OE1 GLN A 22 1.713 23.951 -1.321 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.771 22.265 0.161 1.00 0.00 N ATOM 0 H GLN A 22 1.789 19.189 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.551 20.254 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.175 21.374 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.007 22.260 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.437 22.589 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.079 21.138 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.458 21.327 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.396 22.776 0.785 1.00 0.00 H new ATOM 307 N GLU A 23 0.360 20.462 -6.035 1.00 0.00 N ATOM 308 CA GLU A 23 0.748 20.280 -7.428 1.00 0.00 C ATOM 309 C GLU A 23 2.218 20.635 -7.635 1.00 0.00 C ATOM 310 O GLU A 23 2.691 21.667 -7.161 1.00 0.00 O ATOM 311 CB GLU A 23 -0.129 21.138 -8.342 1.00 0.00 C ATOM 312 CG GLU A 23 0.020 22.631 -8.101 1.00 0.00 C ATOM 313 CD GLU A 23 -0.662 23.087 -6.826 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.773 22.596 -6.538 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.083 23.936 -6.116 1.00 0.00 O ATOM 0 H GLU A 23 -0.471 21.038 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 23 0.607 19.230 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.120 20.919 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.172 20.858 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.079 22.883 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.399 23.175 -8.947 1.00 0.00 H new ATOM 322 N GLY A 24 2.936 19.771 -8.347 1.00 0.00 N ATOM 323 CA GLY A 24 4.344 20.011 -8.604 1.00 0.00 C ATOM 324 C GLY A 24 5.237 19.428 -7.526 1.00 0.00 C ATOM 325 O GLY A 24 6.367 19.025 -7.799 1.00 0.00 O ATOM 0 H GLY A 24 2.568 18.910 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.613 19.579 -9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.519 21.084 -8.676 1.00 0.00 H new ATOM 329 N GLN A 25 4.729 19.386 -6.298 1.00 0.00 N ATOM 330 CA GLN A 25 5.490 18.850 -5.176 1.00 0.00 C ATOM 331 C GLN A 25 5.334 17.336 -5.085 1.00 0.00 C ATOM 332 O GLN A 25 4.298 16.786 -5.455 1.00 0.00 O ATOM 333 CB GLN A 25 5.037 19.502 -3.868 1.00 0.00 C ATOM 334 CG GLN A 25 6.033 19.341 -2.731 1.00 0.00 C ATOM 335 CD GLN A 25 7.264 20.208 -2.906 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.401 20.917 -3.903 1.00 0.00 O ATOM 337 NE2 GLN A 25 8.167 20.158 -1.934 1.00 0.00 N ATOM 0 H GLN A 25 3.795 19.716 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 25 6.543 19.078 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.865 20.564 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.083 19.070 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.547 19.593 -1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.336 18.296 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.013 19.556 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.015 20.721 -1.996 1.00 0.00 H new ATOM 346 N ASN A 26 6.370 16.668 -4.589 1.00 0.00 N ATOM 347 CA ASN A 26 6.348 15.216 -4.450 1.00 0.00 C ATOM 348 C ASN A 26 5.859 14.810 -3.063 1.00 0.00 C ATOM 349 O ASN A 26 5.822 15.627 -2.143 1.00 0.00 O ATOM 350 CB ASN A 26 7.742 14.637 -4.702 1.00 0.00 C ATOM 351 CG ASN A 26 7.690 13.231 -5.267 1.00 0.00 C ATOM 352 OD1 ASN A 26 7.153 13.005 -6.352 1.00 0.00 O ATOM 353 ND2 ASN A 26 8.249 12.277 -4.532 1.00 0.00 N ATOM 0 H ASN A 26 7.235 17.109 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 26 5.657 14.815 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.282 15.284 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.304 14.630 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.245 11.311 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.683 12.510 -3.639 1.00 0.00 H new ATOM 360 N TYR A 27 5.487 13.543 -2.921 1.00 0.00 N ATOM 361 CA TYR A 27 4.999 13.028 -1.647 1.00 0.00 C ATOM 362 C TYR A 27 6.146 12.846 -0.657 1.00 0.00 C ATOM 363 O TYR A 27 6.068 13.285 0.489 1.00 0.00 O ATOM 364 CB TYR A 27 4.274 11.697 -1.854 1.00 0.00 C ATOM 365 CG TYR A 27 2.827 11.854 -2.264 1.00 0.00 C ATOM 366 CD1 TYR A 27 1.939 12.587 -1.486 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.347 11.269 -3.430 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.616 12.732 -1.856 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.026 11.409 -3.808 1.00 0.00 C ATOM 370 CZ TYR A 27 0.165 12.141 -3.018 1.00 0.00 C ATOM 371 OH TYR A 27 -1.152 12.284 -3.391 1.00 0.00 O ATOM 0 H TYR A 27 5.514 12.854 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 27 4.299 13.755 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.799 11.122 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.321 11.120 -0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.289 13.051 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.019 10.695 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.061 13.305 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.669 10.948 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.483 13.158 -3.096 1.00 0.00 H new ATOM 381 N GLY A 28 7.213 12.195 -1.112 1.00 0.00 N ATOM 382 CA GLY A 28 8.362 11.966 -0.256 1.00 0.00 C ATOM 383 C GLY A 28 8.685 10.493 -0.100 1.00 0.00 C ATOM 384 O GLY A 28 9.765 10.133 0.368 1.00 0.00 O ATOM 0 H GLY A 28 7.302 11.823 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.228 12.483 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.172 12.399 0.726 1.00 0.00 H new ATOM 388 N PHE A 29 7.746 9.639 -0.492 1.00 0.00 N ATOM 389 CA PHE A 29 7.934 8.196 -0.391 1.00 0.00 C ATOM 390 C PHE A 29 8.111 7.573 -1.772 1.00 0.00 C ATOM 391 O PHE A 29 7.681 8.136 -2.779 1.00 0.00 O ATOM 392 CB PHE A 29 6.743 7.553 0.322 1.00 0.00 C ATOM 393 CG PHE A 29 5.642 7.134 -0.609 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.694 8.049 -1.040 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.554 5.825 -1.054 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.680 7.666 -1.897 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.542 5.436 -1.912 1.00 0.00 C ATOM 398 CZ PHE A 29 3.603 6.358 -2.333 1.00 0.00 C ATOM 0 H PHE A 29 6.847 9.921 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 29 8.838 8.013 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.090 6.682 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.343 8.257 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.749 9.073 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.284 5.100 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.948 8.389 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.486 4.413 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.810 6.056 -3.002 1.00 0.00 H new ATOM 408 N PHE A 30 8.748 6.407 -1.812 1.00 0.00 N ATOM 409 CA PHE A 30 8.984 5.707 -3.069 1.00 0.00 C ATOM 410 C PHE A 30 8.625 4.229 -2.944 1.00 0.00 C ATOM 411 O PHE A 30 8.710 3.647 -1.862 1.00 0.00 O ATOM 412 CB PHE A 30 10.447 5.854 -3.492 1.00 0.00 C ATOM 413 CG PHE A 30 10.776 7.209 -4.051 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.159 7.666 -5.204 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.703 8.025 -3.423 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.460 8.913 -5.721 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.007 9.273 -3.934 1.00 0.00 C ATOM 418 CZ PHE A 30 11.386 9.716 -5.085 1.00 0.00 C ATOM 0 H PHE A 30 9.110 5.927 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 30 8.346 6.155 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.087 5.660 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.679 5.095 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.434 7.041 -5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.194 7.682 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.972 9.258 -6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.729 9.901 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.624 10.690 -5.487 1.00 0.00 H new ATOM 428 N LEU A 31 8.223 3.628 -4.059 1.00 0.00 N ATOM 429 CA LEU A 31 7.850 2.218 -4.076 1.00 0.00 C ATOM 430 C LEU A 31 9.039 1.345 -4.464 1.00 0.00 C ATOM 431 O LEU A 31 9.677 1.570 -5.493 1.00 0.00 O ATOM 432 CB LEU A 31 6.694 1.988 -5.051 1.00 0.00 C ATOM 433 CG LEU A 31 5.350 2.601 -4.655 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.436 2.712 -5.865 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.690 1.775 -3.560 1.00 0.00 C ATOM 0 H LEU A 31 8.147 4.095 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 31 7.531 1.940 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.980 2.388 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.558 0.914 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 31 5.530 3.604 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.485 3.150 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.905 3.345 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.262 1.720 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.735 2.225 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.524 0.760 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.338 1.747 -2.684 1.00 0.00 H new ATOM 447 N ARG A 32 9.329 0.347 -3.636 1.00 0.00 N ATOM 448 CA ARG A 32 10.441 -0.561 -3.893 1.00 0.00 C ATOM 449 C ARG A 32 10.071 -1.993 -3.518 1.00 0.00 C ATOM 450 O ARG A 32 9.438 -2.231 -2.489 1.00 0.00 O ATOM 451 CB ARG A 32 11.679 -0.120 -3.110 1.00 0.00 C ATOM 452 CG ARG A 32 12.275 1.190 -3.599 1.00 0.00 C ATOM 453 CD ARG A 32 13.256 0.964 -4.739 1.00 0.00 C ATOM 454 NE ARG A 32 14.038 2.162 -5.033 1.00 0.00 N ATOM 455 CZ ARG A 32 14.779 2.305 -6.127 1.00 0.00 C ATOM 456 NH1 ARG A 32 14.838 1.331 -7.024 1.00 0.00 N ATOM 457 NH2 ARG A 32 15.462 3.426 -6.324 1.00 0.00 N ATOM 0 H ARG A 32 8.810 0.146 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 32 10.664 -0.529 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.415 -0.019 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.437 -0.901 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.476 1.853 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.783 1.690 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.929 0.146 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.710 0.659 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 32 14.014 2.930 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.314 0.469 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.408 1.444 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.418 4.178 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.031 3.536 -7.164 1.00 0.00 H new ATOM 471 N ILE A 33 10.470 -2.941 -4.359 1.00 0.00 N ATOM 472 CA ILE A 33 10.181 -4.348 -4.115 1.00 0.00 C ATOM 473 C ILE A 33 11.393 -5.065 -3.528 1.00 0.00 C ATOM 474 O ILE A 33 12.530 -4.629 -3.706 1.00 0.00 O ATOM 475 CB ILE A 33 9.751 -5.067 -5.408 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.506 -4.495 -6.610 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.249 -4.941 -5.609 1.00 0.00 C ATOM 478 CD1 ILE A 33 10.272 -5.265 -7.891 1.00 0.00 C ATOM 0 H ILE A 33 10.994 -2.760 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 33 9.360 -4.381 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 33 9.998 -6.125 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.205 -3.458 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.573 -4.488 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.960 -5.454 -6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.730 -5.391 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.979 -3.888 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.837 -4.804 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.600 -6.296 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.210 -5.250 -8.136 1.00 0.00 H new ATOM 490 N GLU A 34 11.140 -6.166 -2.828 1.00 0.00 N ATOM 491 CA GLU A 34 12.211 -6.943 -2.215 1.00 0.00 C ATOM 492 C GLU A 34 12.208 -8.378 -2.733 1.00 0.00 C ATOM 493 O GLU A 34 11.183 -9.060 -2.702 1.00 0.00 O ATOM 494 CB GLU A 34 12.066 -6.940 -0.691 1.00 0.00 C ATOM 495 CG GLU A 34 13.279 -7.495 0.036 1.00 0.00 C ATOM 496 CD GLU A 34 14.440 -6.520 0.065 1.00 0.00 C ATOM 497 OE1 GLU A 34 14.305 -5.454 0.701 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.484 -6.823 -0.550 1.00 0.00 O ATOM 0 H GLU A 34 10.204 -6.540 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 34 13.160 -6.480 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.886 -5.919 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.189 -7.526 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.999 -7.751 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.597 -8.418 -0.448 1.00 0.00 H new ATOM 505 N LYS A 35 13.362 -8.831 -3.212 1.00 0.00 N ATOM 506 CA LYS A 35 13.495 -10.184 -3.738 1.00 0.00 C ATOM 507 C LYS A 35 12.909 -11.205 -2.767 1.00 0.00 C ATOM 508 O LYS A 35 13.167 -11.151 -1.564 1.00 0.00 O ATOM 509 CB LYS A 35 14.966 -10.507 -4.007 1.00 0.00 C ATOM 510 CG LYS A 35 15.470 -9.980 -5.339 1.00 0.00 C ATOM 511 CD LYS A 35 15.993 -8.559 -5.215 1.00 0.00 C ATOM 512 CE LYS A 35 17.021 -8.247 -6.293 1.00 0.00 C ATOM 513 NZ LYS A 35 18.347 -8.851 -5.986 1.00 0.00 N ATOM 0 H LYS A 35 14.219 -8.280 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 35 12.940 -10.239 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.574 -10.087 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.103 -11.588 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.262 -10.629 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.663 -10.009 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.163 -7.857 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.442 -8.420 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.665 -8.621 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.128 -7.167 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.037 -8.560 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.667 -8.528 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.264 -9.888 -5.984 1.00 0.00 H new ATOM 527 N ASP A 36 12.121 -12.134 -3.297 1.00 0.00 N ATOM 528 CA ASP A 36 11.501 -13.169 -2.477 1.00 0.00 C ATOM 529 C ASP A 36 10.605 -12.551 -1.408 1.00 0.00 C ATOM 530 O ASP A 36 10.579 -13.006 -0.264 1.00 0.00 O ATOM 531 CB ASP A 36 12.573 -14.040 -1.820 1.00 0.00 C ATOM 532 CG ASP A 36 12.013 -15.345 -1.289 1.00 0.00 C ATOM 533 OD1 ASP A 36 11.594 -16.187 -2.109 1.00 0.00 O ATOM 534 OD2 ASP A 36 11.994 -15.523 -0.053 1.00 0.00 O ATOM 0 H ASP A 36 11.896 -12.192 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 36 10.886 -13.792 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.358 -14.253 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.036 -13.487 -1.002 1.00 0.00 H new ATOM 539 N THR A 37 9.871 -11.510 -1.788 1.00 0.00 N ATOM 540 CA THR A 37 8.975 -10.828 -0.862 1.00 0.00 C ATOM 541 C THR A 37 7.673 -10.430 -1.549 1.00 0.00 C ATOM 542 O THR A 37 7.648 -10.177 -2.754 1.00 0.00 O ATOM 543 CB THR A 37 9.634 -9.569 -0.268 1.00 0.00 C ATOM 544 OG1 THR A 37 10.949 -9.881 0.205 1.00 0.00 O ATOM 545 CG2 THR A 37 8.799 -9.009 0.874 1.00 0.00 C ATOM 0 H THR A 37 9.879 -11.121 -2.731 1.00 0.00 H new ATOM 0 HA THR A 37 8.758 -11.530 -0.057 1.00 0.00 H new ATOM 0 HB THR A 37 9.700 -8.816 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.573 -9.896 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.284 -8.120 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.808 -8.745 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.706 -9.760 1.659 1.00 0.00 H new ATOM 553 N ASP A 38 6.595 -10.376 -0.776 1.00 0.00 N ATOM 554 CA ASP A 38 5.289 -10.006 -1.310 1.00 0.00 C ATOM 555 C ASP A 38 4.903 -8.596 -0.874 1.00 0.00 C ATOM 556 O ASP A 38 5.264 -8.151 0.214 1.00 0.00 O ATOM 557 CB ASP A 38 4.225 -11.005 -0.850 1.00 0.00 C ATOM 558 CG ASP A 38 4.319 -12.329 -1.582 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.435 -12.692 -2.011 1.00 0.00 O ATOM 560 OD2 ASP A 38 3.278 -13.002 -1.726 1.00 0.00 O ATOM 0 H ASP A 38 6.599 -10.584 0.223 1.00 0.00 H new ATOM 0 HA ASP A 38 5.350 -10.026 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.331 -11.177 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.236 -10.576 -1.007 1.00 0.00 H new ATOM 565 N GLY A 39 4.166 -7.898 -1.733 1.00 0.00 N ATOM 566 CA GLY A 39 3.745 -6.545 -1.420 1.00 0.00 C ATOM 567 C GLY A 39 4.806 -5.515 -1.753 1.00 0.00 C ATOM 568 O GLY A 39 5.987 -5.844 -1.868 1.00 0.00 O ATOM 0 H GLY A 39 3.853 -8.245 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.834 -6.315 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.500 -6.480 -0.360 1.00 0.00 H new ATOM 572 N HIS A 40 4.385 -4.264 -1.909 1.00 0.00 N ATOM 573 CA HIS A 40 5.308 -3.182 -2.232 1.00 0.00 C ATOM 574 C HIS A 40 5.849 -2.531 -0.962 1.00 0.00 C ATOM 575 O HIS A 40 5.139 -1.789 -0.282 1.00 0.00 O ATOM 576 CB HIS A 40 4.614 -2.132 -3.100 1.00 0.00 C ATOM 577 CG HIS A 40 4.438 -2.556 -4.526 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.440 -2.459 -5.469 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.369 -3.082 -5.168 1.00 0.00 C ATOM 580 CE1 HIS A 40 4.994 -2.906 -6.629 1.00 0.00 C ATOM 581 NE2 HIS A 40 3.740 -3.290 -6.474 1.00 0.00 N ATOM 0 H HIS A 40 3.411 -3.975 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 40 6.145 -3.606 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.637 -1.908 -2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.193 -1.209 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.404 -3.298 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.559 -2.950 -7.548 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.144 -3.678 -7.205 1.00 0.00 H new ATOM 590 N LEU A 41 7.108 -2.814 -0.648 1.00 0.00 N ATOM 591 CA LEU A 41 7.744 -2.257 0.541 1.00 0.00 C ATOM 592 C LEU A 41 8.144 -0.803 0.314 1.00 0.00 C ATOM 593 O LEU A 41 8.887 -0.491 -0.617 1.00 0.00 O ATOM 594 CB LEU A 41 8.975 -3.083 0.919 1.00 0.00 C ATOM 595 CG LEU A 41 8.702 -4.399 1.648 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.499 -5.530 0.651 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.840 -4.726 2.603 1.00 0.00 C ATOM 0 H LEU A 41 7.709 -3.426 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 41 7.024 -2.293 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.533 -3.304 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.620 -2.470 1.548 1.00 0.00 H new ATOM 0 HG LEU A 41 7.787 -4.286 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.306 -6.458 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.650 -5.300 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.396 -5.643 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.628 -5.666 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.770 -4.819 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.938 -3.928 3.339 1.00 0.00 H new ATOM 609 N ILE A 42 7.647 0.082 1.172 1.00 0.00 N ATOM 610 CA ILE A 42 7.956 1.503 1.066 1.00 0.00 C ATOM 611 C ILE A 42 9.277 1.831 1.753 1.00 0.00 C ATOM 612 O ILE A 42 9.616 1.246 2.782 1.00 0.00 O ATOM 613 CB ILE A 42 6.841 2.368 1.683 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.550 2.229 0.873 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.276 3.824 1.751 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.298 2.481 1.683 1.00 0.00 C ATOM 0 H ILE A 42 7.030 -0.159 1.947 1.00 0.00 H new ATOM 0 HA ILE A 42 8.036 1.731 0.003 1.00 0.00 H new ATOM 0 HB ILE A 42 6.650 2.019 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.579 2.927 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.503 1.226 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.477 4.422 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.172 3.908 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.491 4.187 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.422 2.365 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.246 1.766 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.322 3.494 2.085 1.00 0.00 H new ATOM 628 N ARG A 43 10.019 2.772 1.178 1.00 0.00 N ATOM 629 CA ARG A 43 11.303 3.179 1.735 1.00 0.00 C ATOM 630 C ARG A 43 11.742 4.524 1.163 1.00 0.00 C ATOM 631 O ARG A 43 11.178 5.007 0.181 1.00 0.00 O ATOM 632 CB ARG A 43 12.368 2.119 1.446 1.00 0.00 C ATOM 633 CG ARG A 43 13.460 2.049 2.500 1.00 0.00 C ATOM 634 CD ARG A 43 14.434 0.916 2.219 1.00 0.00 C ATOM 635 NE ARG A 43 15.222 1.158 1.013 1.00 0.00 N ATOM 636 CZ ARG A 43 15.984 0.236 0.436 1.00 0.00 C ATOM 637 NH1 ARG A 43 16.061 -0.983 0.952 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.672 0.532 -0.660 1.00 0.00 N ATOM 0 H ARG A 43 9.753 3.267 0.327 1.00 0.00 H new ATOM 0 HA ARG A 43 11.186 3.282 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.886 1.144 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.823 2.328 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.000 2.995 2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.010 1.908 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.103 0.794 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.882 -0.018 2.110 1.00 0.00 H new ATOM 0 HE ARG A 43 15.185 2.086 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.534 -1.215 1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.647 -1.689 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.616 1.469 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.257 -0.177 -1.102 1.00 0.00 H new ATOM 652 N VAL A 44 12.751 5.125 1.786 1.00 0.00 N ATOM 653 CA VAL A 44 13.266 6.414 1.340 1.00 0.00 C ATOM 654 C VAL A 44 12.303 7.542 1.693 1.00 0.00 C ATOM 655 O VAL A 44 12.041 8.426 0.877 1.00 0.00 O ATOM 656 CB VAL A 44 13.514 6.423 -0.180 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.344 7.635 -0.579 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.193 5.134 -0.617 1.00 0.00 C ATOM 0 H VAL A 44 13.228 4.740 2.601 1.00 0.00 H new ATOM 0 HA VAL A 44 14.213 6.573 1.856 1.00 0.00 H new ATOM 0 HB VAL A 44 12.551 6.489 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.509 7.624 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.814 8.546 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.304 7.604 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.360 5.158 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.149 5.034 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.557 4.285 -0.368 1.00 0.00 H new ATOM 668 N ILE A 45 11.782 7.506 2.915 1.00 0.00 N ATOM 669 CA ILE A 45 10.850 8.527 3.377 1.00 0.00 C ATOM 670 C ILE A 45 11.591 9.757 3.890 1.00 0.00 C ATOM 671 O ILE A 45 12.120 9.756 5.001 1.00 0.00 O ATOM 672 CB ILE A 45 9.935 7.990 4.494 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.023 6.888 3.951 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.111 9.120 5.093 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.304 6.112 5.032 1.00 0.00 C ATOM 0 H ILE A 45 11.989 6.781 3.602 1.00 0.00 H new ATOM 0 HA ILE A 45 10.238 8.806 2.519 1.00 0.00 H new ATOM 0 HB ILE A 45 10.558 7.565 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.286 7.334 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.618 6.197 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.470 8.725 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.778 9.874 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.495 9.572 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.676 5.348 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.035 5.637 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.682 6.791 5.615 1.00 0.00 H new ATOM 687 N GLU A 46 11.623 10.805 3.073 1.00 0.00 N ATOM 688 CA GLU A 46 12.300 12.042 3.445 1.00 0.00 C ATOM 689 C GLU A 46 11.668 12.654 4.692 1.00 0.00 C ATOM 690 O GLU A 46 10.452 12.597 4.876 1.00 0.00 O ATOM 691 CB GLU A 46 12.248 13.045 2.290 1.00 0.00 C ATOM 692 CG GLU A 46 13.384 12.885 1.294 1.00 0.00 C ATOM 693 CD GLU A 46 13.462 14.033 0.308 1.00 0.00 C ATOM 694 OE1 GLU A 46 12.493 14.223 -0.458 1.00 0.00 O ATOM 695 OE2 GLU A 46 14.490 14.742 0.301 1.00 0.00 O ATOM 0 H GLU A 46 11.189 10.822 2.150 1.00 0.00 H new ATOM 0 HA GLU A 46 13.341 11.805 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.298 12.934 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.272 14.056 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.328 12.810 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.254 11.950 0.748 1.00 0.00 H new ATOM 702 N GLU A 47 12.503 13.237 5.546 1.00 0.00 N ATOM 703 CA GLU A 47 12.026 13.858 6.777 1.00 0.00 C ATOM 704 C GLU A 47 11.289 15.160 6.479 1.00 0.00 C ATOM 705 O GLU A 47 11.711 15.945 5.631 1.00 0.00 O ATOM 706 CB GLU A 47 13.196 14.127 7.725 1.00 0.00 C ATOM 707 CG GLU A 47 12.793 14.184 9.189 1.00 0.00 C ATOM 708 CD GLU A 47 13.975 14.407 10.112 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.691 15.413 9.927 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.184 13.574 11.019 1.00 0.00 O ATOM 0 H GLU A 47 13.512 13.293 5.409 1.00 0.00 H new ATOM 0 HA GLU A 47 11.331 13.169 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.946 13.347 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.666 15.071 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.069 14.986 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.295 13.253 9.461 1.00 0.00 H new ATOM 717 N GLY A 48 10.183 15.382 7.183 1.00 0.00 N ATOM 718 CA GLY A 48 9.403 16.589 6.980 1.00 0.00 C ATOM 719 C GLY A 48 8.597 16.549 5.697 1.00 0.00 C ATOM 720 O GLY A 48 8.198 17.590 5.175 1.00 0.00 O ATOM 0 H GLY A 48 9.813 14.747 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.729 16.729 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.071 17.450 6.959 1.00 0.00 H new ATOM 724 N SER A 49 8.359 15.346 5.187 1.00 0.00 N ATOM 725 CA SER A 49 7.600 15.175 3.953 1.00 0.00 C ATOM 726 C SER A 49 6.166 14.747 4.252 1.00 0.00 C ATOM 727 O SER A 49 5.871 14.160 5.293 1.00 0.00 O ATOM 728 CB SER A 49 8.276 14.139 3.053 1.00 0.00 C ATOM 729 OG SER A 49 7.793 12.835 3.325 1.00 0.00 O ATOM 0 H SER A 49 8.680 14.475 5.609 1.00 0.00 H new ATOM 0 HA SER A 49 7.574 16.134 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.094 14.387 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.355 14.170 3.205 1.00 0.00 H new ATOM 0 HG SER A 49 8.458 12.343 3.850 1.00 0.00 H new ATOM 735 N PRO A 50 5.253 15.048 3.317 1.00 0.00 N ATOM 736 CA PRO A 50 3.835 14.704 3.457 1.00 0.00 C ATOM 737 C PRO A 50 3.589 13.203 3.353 1.00 0.00 C ATOM 738 O PRO A 50 2.493 12.722 3.638 1.00 0.00 O ATOM 739 CB PRO A 50 3.175 15.436 2.285 1.00 0.00 C ATOM 740 CG PRO A 50 4.258 15.583 1.273 1.00 0.00 C ATOM 741 CD PRO A 50 5.534 15.747 2.052 1.00 0.00 C ATOM 0 HA PRO A 50 3.441 14.989 4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.335 14.868 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.786 16.407 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.307 14.709 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.079 16.446 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.383 15.307 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.772 16.798 2.218 1.00 0.00 H new ATOM 749 N ALA A 51 4.617 12.467 2.944 1.00 0.00 N ATOM 750 CA ALA A 51 4.513 11.019 2.805 1.00 0.00 C ATOM 751 C ALA A 51 4.561 10.333 4.166 1.00 0.00 C ATOM 752 O ALA A 51 3.923 9.301 4.373 1.00 0.00 O ATOM 753 CB ALA A 51 5.624 10.494 1.908 1.00 0.00 C ATOM 0 H ALA A 51 5.531 12.849 2.703 1.00 0.00 H new ATOM 0 HA ALA A 51 3.551 10.791 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.534 9.412 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.543 10.953 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.592 10.741 2.345 1.00 0.00 H new ATOM 759 N GLU A 52 5.321 10.912 5.090 1.00 0.00 N ATOM 760 CA GLU A 52 5.452 10.354 6.430 1.00 0.00 C ATOM 761 C GLU A 52 4.299 10.804 7.323 1.00 0.00 C ATOM 762 O GLU A 52 3.757 10.018 8.100 1.00 0.00 O ATOM 763 CB GLU A 52 6.786 10.771 7.053 1.00 0.00 C ATOM 764 CG GLU A 52 7.037 10.162 8.422 1.00 0.00 C ATOM 765 CD GLU A 52 8.397 10.527 8.984 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.267 10.958 8.199 1.00 0.00 O ATOM 767 OE2 GLU A 52 8.590 10.383 10.209 1.00 0.00 O ATOM 0 H GLU A 52 5.855 11.767 4.935 1.00 0.00 H new ATOM 0 HA GLU A 52 5.422 9.268 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.596 10.483 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.814 11.857 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.262 10.496 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.956 9.077 8.353 1.00 0.00 H new ATOM 774 N LYS A 53 3.930 12.075 7.205 1.00 0.00 N ATOM 775 CA LYS A 53 2.841 12.632 7.999 1.00 0.00 C ATOM 776 C LYS A 53 1.589 11.769 7.888 1.00 0.00 C ATOM 777 O LYS A 53 0.676 11.875 8.705 1.00 0.00 O ATOM 778 CB LYS A 53 2.531 14.060 7.545 1.00 0.00 C ATOM 779 CG LYS A 53 3.671 15.035 7.781 1.00 0.00 C ATOM 780 CD LYS A 53 3.331 16.425 7.271 1.00 0.00 C ATOM 781 CE LYS A 53 2.435 17.173 8.246 1.00 0.00 C ATOM 782 NZ LYS A 53 3.225 17.934 9.253 1.00 0.00 N ATOM 0 H LYS A 53 4.369 12.739 6.567 1.00 0.00 H new ATOM 0 HA LYS A 53 3.157 12.649 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.287 14.050 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.645 14.415 8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.896 15.082 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.570 14.673 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.249 16.990 7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.833 16.347 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.792 17.859 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.782 16.465 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.578 18.430 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.820 17.277 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.829 18.628 8.768 1.00 0.00 H new ATOM 796 N ALA A 54 1.555 10.912 6.872 1.00 0.00 N ATOM 797 CA ALA A 54 0.417 10.028 6.657 1.00 0.00 C ATOM 798 C ALA A 54 0.574 8.730 7.441 1.00 0.00 C ATOM 799 O ALA A 54 -0.006 7.704 7.086 1.00 0.00 O ATOM 800 CB ALA A 54 0.250 9.734 5.173 1.00 0.00 C ATOM 0 H ALA A 54 2.303 10.812 6.186 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.478 10.534 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.604 9.072 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.083 10.666 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.151 9.252 4.794 1.00 0.00 H new ATOM 806 N GLY A 55 1.363 8.781 8.510 1.00 0.00 N ATOM 807 CA GLY A 55 1.583 7.602 9.327 1.00 0.00 C ATOM 808 C GLY A 55 2.306 6.502 8.575 1.00 0.00 C ATOM 809 O GLY A 55 2.458 5.390 9.082 1.00 0.00 O ATOM 0 H GLY A 55 1.854 9.618 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.163 7.877 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.624 7.225 9.682 1.00 0.00 H new ATOM 813 N LEU A 56 2.750 6.810 7.362 1.00 0.00 N ATOM 814 CA LEU A 56 3.460 5.838 6.537 1.00 0.00 C ATOM 815 C LEU A 56 4.919 5.724 6.965 1.00 0.00 C ATOM 816 O LEU A 56 5.591 6.730 7.195 1.00 0.00 O ATOM 817 CB LEU A 56 3.378 6.236 5.062 1.00 0.00 C ATOM 818 CG LEU A 56 3.405 5.086 4.055 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.106 4.296 4.112 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.649 5.614 2.649 1.00 0.00 C ATOM 0 H LEU A 56 2.631 7.725 6.927 1.00 0.00 H new ATOM 0 HA LEU A 56 2.984 4.866 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.460 6.804 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.208 6.906 4.840 1.00 0.00 H new ATOM 0 HG LEU A 56 4.225 4.417 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.143 3.482 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.973 3.886 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.270 4.954 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.665 4.782 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.851 6.304 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.606 6.135 2.617 1.00 0.00 H new ATOM 832 N LEU A 57 5.405 4.492 7.068 1.00 0.00 N ATOM 833 CA LEU A 57 6.787 4.245 7.465 1.00 0.00 C ATOM 834 C LEU A 57 7.426 3.180 6.580 1.00 0.00 C ATOM 835 O LEU A 57 6.738 2.317 6.035 1.00 0.00 O ATOM 836 CB LEU A 57 6.846 3.810 8.931 1.00 0.00 C ATOM 837 CG LEU A 57 6.881 4.936 9.964 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.469 5.356 10.343 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.660 4.504 11.198 1.00 0.00 C ATOM 0 H LEU A 57 4.863 3.648 6.882 1.00 0.00 H new ATOM 0 HA LEU A 57 7.346 5.173 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.980 3.181 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.731 3.189 9.070 1.00 0.00 H new ATOM 0 HG LEU A 57 7.387 5.794 9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.513 6.158 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.943 5.707 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.937 4.504 10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.674 5.318 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.182 3.631 11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.682 4.253 10.914 1.00 0.00 H new ATOM 851 N ASP A 58 8.746 3.245 6.444 1.00 0.00 N ATOM 852 CA ASP A 58 9.479 2.284 5.628 1.00 0.00 C ATOM 853 C ASP A 58 9.268 0.863 6.141 1.00 0.00 C ATOM 854 O ASP A 58 9.348 0.607 7.341 1.00 0.00 O ATOM 855 CB ASP A 58 10.971 2.621 5.623 1.00 0.00 C ATOM 856 CG ASP A 58 11.666 2.194 6.901 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.204 2.597 7.989 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.671 1.458 6.814 1.00 0.00 O ATOM 0 H ASP A 58 9.330 3.953 6.888 1.00 0.00 H new ATOM 0 HA ASP A 58 9.097 2.344 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.448 2.133 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.097 3.695 5.486 1.00 0.00 H new ATOM 863 N GLY A 59 8.996 -0.058 5.221 1.00 0.00 N ATOM 864 CA GLY A 59 8.776 -1.442 5.599 1.00 0.00 C ATOM 865 C GLY A 59 7.310 -1.825 5.569 1.00 0.00 C ATOM 866 O GLY A 59 6.940 -2.923 5.983 1.00 0.00 O ATOM 0 H GLY A 59 8.924 0.130 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.332 -2.093 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.172 -1.609 6.601 1.00 0.00 H new ATOM 870 N ASP A 60 6.473 -0.917 5.079 1.00 0.00 N ATOM 871 CA ASP A 60 5.038 -1.165 4.997 1.00 0.00 C ATOM 872 C ASP A 60 4.655 -1.690 3.617 1.00 0.00 C ATOM 873 O ASP A 60 5.257 -1.314 2.610 1.00 0.00 O ATOM 874 CB ASP A 60 4.259 0.115 5.303 1.00 0.00 C ATOM 875 CG ASP A 60 4.418 0.559 6.744 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.410 0.152 7.384 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.549 1.312 7.233 1.00 0.00 O ATOM 0 H ASP A 60 6.763 -0.003 4.733 1.00 0.00 H new ATOM 0 HA ASP A 60 4.783 -1.922 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.599 0.911 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.202 -0.047 5.090 1.00 0.00 H new ATOM 882 N ARG A 61 3.652 -2.561 3.578 1.00 0.00 N ATOM 883 CA ARG A 61 3.191 -3.139 2.321 1.00 0.00 C ATOM 884 C ARG A 61 1.816 -2.596 1.945 1.00 0.00 C ATOM 885 O ARG A 61 0.860 -2.710 2.713 1.00 0.00 O ATOM 886 CB ARG A 61 3.137 -4.665 2.427 1.00 0.00 C ATOM 887 CG ARG A 61 4.497 -5.332 2.300 1.00 0.00 C ATOM 888 CD ARG A 61 5.191 -5.443 3.649 1.00 0.00 C ATOM 889 NE ARG A 61 6.358 -6.319 3.593 1.00 0.00 N ATOM 890 CZ ARG A 61 7.167 -6.532 4.625 1.00 0.00 C ATOM 891 NH1 ARG A 61 6.936 -5.936 5.787 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.209 -7.343 4.497 1.00 0.00 N ATOM 0 H ARG A 61 3.143 -2.882 4.402 1.00 0.00 H new ATOM 0 HA ARG A 61 3.899 -2.860 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.695 -4.939 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.478 -5.052 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.377 -6.326 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.122 -4.760 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.498 -4.451 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.487 -5.824 4.389 1.00 0.00 H new ATOM 0 HE ARG A 61 6.563 -6.793 2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.136 -5.312 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.559 -6.101 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.390 -7.804 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.829 -7.506 5.290 1.00 0.00 H new ATOM 906 N VAL A 62 1.723 -2.004 0.758 1.00 0.00 N ATOM 907 CA VAL A 62 0.465 -1.444 0.280 1.00 0.00 C ATOM 908 C VAL A 62 -0.385 -2.507 -0.406 1.00 0.00 C ATOM 909 O VAL A 62 0.035 -3.111 -1.395 1.00 0.00 O ATOM 910 CB VAL A 62 0.706 -0.282 -0.703 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.809 -0.637 -1.689 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.580 0.072 -1.434 1.00 0.00 C ATOM 0 H VAL A 62 2.504 -1.900 0.110 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.066 -1.067 1.154 1.00 0.00 H new ATOM 0 HB VAL A 62 1.026 0.591 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.965 0.195 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.732 -0.837 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.521 -1.524 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.392 0.894 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.932 -0.796 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.339 0.372 -0.711 1.00 0.00 H new ATOM 922 N LEU A 63 -1.582 -2.732 0.123 1.00 0.00 N ATOM 923 CA LEU A 63 -2.493 -3.723 -0.438 1.00 0.00 C ATOM 924 C LEU A 63 -3.236 -3.158 -1.644 1.00 0.00 C ATOM 925 O LEU A 63 -3.213 -3.741 -2.729 1.00 0.00 O ATOM 926 CB LEU A 63 -3.495 -4.183 0.623 1.00 0.00 C ATOM 927 CG LEU A 63 -2.896 -4.742 1.914 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.866 -4.568 3.072 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.528 -6.208 1.739 1.00 0.00 C ATOM 0 H LEU A 63 -1.945 -2.241 0.940 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.902 -4.578 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.136 -3.339 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.135 -4.947 0.182 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.988 -4.185 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.422 -4.972 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.080 -3.508 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.792 -5.099 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.103 -6.590 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.421 -6.780 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.796 -6.306 0.938 1.00 0.00 H new ATOM 941 N ARG A 64 -3.892 -2.019 -1.449 1.00 0.00 N ATOM 942 CA ARG A 64 -4.641 -1.375 -2.521 1.00 0.00 C ATOM 943 C ARG A 64 -4.245 0.093 -2.654 1.00 0.00 C ATOM 944 O ARG A 64 -3.989 0.770 -1.658 1.00 0.00 O ATOM 945 CB ARG A 64 -6.144 -1.487 -2.260 1.00 0.00 C ATOM 946 CG ARG A 64 -6.632 -2.919 -2.116 1.00 0.00 C ATOM 947 CD ARG A 64 -8.072 -3.067 -2.583 1.00 0.00 C ATOM 948 NE ARG A 64 -8.485 -4.467 -2.649 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.465 -4.908 -3.429 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.130 -4.063 -4.205 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.783 -6.196 -3.433 1.00 0.00 N ATOM 0 H ARG A 64 -3.920 -1.523 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.402 -1.884 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.389 -0.936 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.683 -1.009 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.990 -3.583 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.553 -3.228 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.731 -2.526 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.183 -2.610 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.994 -5.143 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.889 -3.072 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.882 -4.404 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.275 -6.849 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.536 -6.534 -4.033 1.00 0.00 H new ATOM 965 N ILE A 65 -4.197 0.577 -3.891 1.00 0.00 N ATOM 966 CA ILE A 65 -3.833 1.964 -4.154 1.00 0.00 C ATOM 967 C ILE A 65 -5.005 2.736 -4.749 1.00 0.00 C ATOM 968 O ILE A 65 -5.554 2.353 -5.781 1.00 0.00 O ATOM 969 CB ILE A 65 -2.631 2.058 -5.112 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.846 3.346 -4.856 1.00 0.00 C ATOM 971 CG2 ILE A 65 -3.100 1.996 -6.558 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.510 4.581 -5.425 1.00 0.00 C ATOM 0 H ILE A 65 -4.405 0.030 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.559 2.406 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.971 1.210 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.716 3.475 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.850 3.247 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.239 2.064 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.620 1.054 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.778 2.826 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.899 5.456 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.616 4.473 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.495 4.705 -4.975 1.00 0.00 H new ATOM 984 N ASN A 66 -5.383 3.827 -4.091 1.00 0.00 N ATOM 985 CA ASN A 66 -6.489 4.656 -4.556 1.00 0.00 C ATOM 986 C ASN A 66 -7.707 3.799 -4.890 1.00 0.00 C ATOM 987 O ASN A 66 -8.480 4.124 -5.790 1.00 0.00 O ATOM 988 CB ASN A 66 -6.068 5.464 -5.784 1.00 0.00 C ATOM 989 CG ASN A 66 -6.955 6.673 -6.013 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.922 6.613 -6.772 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.627 7.779 -5.356 1.00 0.00 N ATOM 0 H ASN A 66 -4.940 4.158 -3.234 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.758 5.343 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.036 5.792 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.098 4.823 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.186 8.625 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.816 7.783 -4.737 1.00 0.00 H new ATOM 998 N GLY A 67 -7.871 2.702 -4.157 1.00 0.00 N ATOM 999 CA GLY A 67 -8.996 1.815 -4.390 1.00 0.00 C ATOM 1000 C GLY A 67 -8.763 0.877 -5.558 1.00 0.00 C ATOM 1001 O GLY A 67 -9.634 0.709 -6.411 1.00 0.00 O ATOM 0 H GLY A 67 -7.245 2.412 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.186 1.230 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.890 2.409 -4.578 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.584 0.266 -5.598 1.00 0.00 N ATOM 1006 CA VAL A 68 -7.238 -0.660 -6.670 1.00 0.00 C ATOM 1007 C VAL A 68 -6.210 -1.683 -6.202 1.00 0.00 C ATOM 1008 O VAL A 68 -5.114 -1.325 -5.769 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.682 0.086 -7.898 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -6.274 -0.900 -8.981 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.707 1.079 -8.426 1.00 0.00 C ATOM 0 H VAL A 68 -6.851 0.395 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.156 -1.175 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.795 0.642 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.884 -0.355 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.504 -1.567 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.142 -1.485 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.298 1.597 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.613 0.547 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.945 1.805 -7.648 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.570 -2.959 -6.293 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.678 -4.036 -5.878 1.00 0.00 C ATOM 1023 C PHE A 69 -4.410 -4.050 -6.727 1.00 0.00 C ATOM 1024 O PHE A 69 -4.439 -4.417 -7.901 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.391 -5.386 -5.985 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.696 -6.491 -5.241 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.443 -6.378 -3.883 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -5.296 -7.643 -5.900 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.803 -7.393 -3.197 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.656 -8.661 -5.219 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.411 -8.536 -3.865 1.00 0.00 C ATOM 0 H PHE A 69 -7.473 -3.273 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.397 -3.862 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.406 -5.283 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.473 -5.662 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.749 -5.487 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.487 -7.746 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.610 -7.292 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.348 -9.553 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.914 -9.331 -3.330 1.00 0.00 H new ATOM 1041 N VAL A 70 -3.297 -3.645 -6.123 1.00 0.00 N ATOM 1042 CA VAL A 70 -2.018 -3.610 -6.822 1.00 0.00 C ATOM 1043 C VAL A 70 -1.013 -4.558 -6.176 1.00 0.00 C ATOM 1044 O VAL A 70 0.143 -4.198 -5.956 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.427 -2.188 -6.840 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -2.329 -1.245 -7.620 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -1.212 -1.683 -5.422 1.00 0.00 C ATOM 0 H VAL A 70 -3.255 -3.337 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.208 -3.929 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.459 -2.222 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.895 -0.245 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.426 -1.600 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.313 -1.213 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.794 -0.677 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.166 -1.663 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.522 -2.346 -4.900 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.462 -5.772 -5.876 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.602 -6.774 -5.256 1.00 0.00 C ATOM 1059 C ASP A 71 0.275 -7.457 -6.301 1.00 0.00 C ATOM 1060 O ASP A 71 1.453 -7.721 -6.061 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.445 -7.815 -4.520 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.597 -8.793 -3.730 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.574 -9.001 -4.108 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.106 -9.350 -2.734 1.00 0.00 O ATOM 0 H ASP A 71 -2.416 -6.086 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 71 0.045 -6.269 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.135 -7.308 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.051 -8.364 -5.241 1.00 0.00 H new ATOM 1069 N LYS A 72 -0.308 -7.742 -7.460 1.00 0.00 N ATOM 1070 CA LYS A 72 0.420 -8.395 -8.542 1.00 0.00 C ATOM 1071 C LYS A 72 0.925 -7.371 -9.554 1.00 0.00 C ATOM 1072 O LYS A 72 1.905 -7.612 -10.258 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.477 -9.419 -9.242 1.00 0.00 C ATOM 1074 CG LYS A 72 0.201 -10.130 -10.400 1.00 0.00 C ATOM 1075 CD LYS A 72 1.015 -11.321 -9.923 1.00 0.00 C ATOM 1076 CE LYS A 72 0.173 -12.587 -9.870 1.00 0.00 C ATOM 1077 NZ LYS A 72 0.042 -13.222 -11.211 1.00 0.00 N ATOM 0 H LYS A 72 -1.283 -7.531 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 72 1.280 -8.908 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.805 -10.160 -8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.371 -8.915 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.552 -10.465 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.851 -9.431 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.863 -11.474 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.422 -11.112 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.625 -13.295 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.818 -12.349 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.539 -14.081 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.412 -12.556 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.985 -13.473 -11.570 1.00 0.00 H new ATOM 1091 N GLU A 73 0.251 -6.227 -9.618 1.00 0.00 N ATOM 1092 CA GLU A 73 0.633 -5.167 -10.544 1.00 0.00 C ATOM 1093 C GLU A 73 2.134 -4.898 -10.473 1.00 0.00 C ATOM 1094 O GLU A 73 2.803 -5.304 -9.523 1.00 0.00 O ATOM 1095 CB GLU A 73 -0.141 -3.884 -10.232 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.600 -3.937 -10.651 1.00 0.00 C ATOM 1097 CD GLU A 73 -2.175 -2.563 -10.939 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.682 -1.897 -11.874 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -3.117 -2.154 -10.228 1.00 0.00 O ATOM 0 H GLU A 73 -0.561 -6.011 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 73 0.387 -5.495 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.086 -3.688 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.343 -3.046 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.696 -4.561 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.183 -4.413 -9.863 1.00 0.00 H new ATOM 1106 N GLU A 74 2.655 -4.213 -11.486 1.00 0.00 N ATOM 1107 CA GLU A 74 4.076 -3.892 -11.539 1.00 0.00 C ATOM 1108 C GLU A 74 4.353 -2.540 -10.888 1.00 0.00 C ATOM 1109 O GLU A 74 3.548 -1.613 -10.989 1.00 0.00 O ATOM 1110 CB GLU A 74 4.566 -3.882 -12.989 1.00 0.00 C ATOM 1111 CG GLU A 74 6.071 -4.033 -13.124 1.00 0.00 C ATOM 1112 CD GLU A 74 6.509 -5.484 -13.184 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.386 -6.096 -14.266 1.00 0.00 O ATOM 1114 OE2 GLU A 74 6.974 -6.007 -12.150 1.00 0.00 O ATOM 0 H GLU A 74 2.115 -3.870 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 74 4.616 -4.660 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.078 -4.690 -13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.259 -2.948 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.404 -3.519 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.558 -3.545 -12.280 1.00 0.00 H new ATOM 1121 N HIS A 75 5.498 -2.434 -10.220 1.00 0.00 N ATOM 1122 CA HIS A 75 5.882 -1.196 -9.552 1.00 0.00 C ATOM 1123 C HIS A 75 5.626 0.009 -10.453 1.00 0.00 C ATOM 1124 O HIS A 75 5.176 1.057 -9.991 1.00 0.00 O ATOM 1125 CB HIS A 75 7.357 -1.244 -9.152 1.00 0.00 C ATOM 1126 CG HIS A 75 7.997 0.107 -9.062 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.660 1.037 -8.102 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.962 0.681 -9.818 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.388 2.126 -8.273 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.186 1.936 -9.308 1.00 0.00 N ATOM 0 H HIS A 75 6.176 -3.191 -10.127 1.00 0.00 H new ATOM 0 HA HIS A 75 5.273 -1.092 -8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.448 -1.745 -8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.902 -1.848 -9.877 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.463 0.235 -10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.339 3.020 -7.669 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.859 2.612 -9.670 1.00 0.00 H new ATOM 1139 N ALA A 76 5.917 -0.148 -11.740 1.00 0.00 N ATOM 1140 CA ALA A 76 5.718 0.926 -12.705 1.00 0.00 C ATOM 1141 C ALA A 76 4.237 1.251 -12.866 1.00 0.00 C ATOM 1142 O ALA A 76 3.868 2.399 -13.113 1.00 0.00 O ATOM 1143 CB ALA A 76 6.326 0.549 -14.048 1.00 0.00 C ATOM 0 H ALA A 76 6.292 -1.009 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 76 6.221 1.817 -12.328 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.170 1.360 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.395 0.373 -13.927 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.849 -0.357 -14.422 1.00 0.00 H new ATOM 1149 N GLN A 77 3.393 0.233 -12.725 1.00 0.00 N ATOM 1150 CA GLN A 77 1.952 0.412 -12.857 1.00 0.00 C ATOM 1151 C GLN A 77 1.392 1.200 -11.677 1.00 0.00 C ATOM 1152 O GLN A 77 0.620 2.142 -11.856 1.00 0.00 O ATOM 1153 CB GLN A 77 1.255 -0.946 -12.956 1.00 0.00 C ATOM 1154 CG GLN A 77 1.470 -1.643 -14.289 1.00 0.00 C ATOM 1155 CD GLN A 77 0.865 -0.881 -15.452 1.00 0.00 C ATOM 1156 OE1 GLN A 77 1.529 -0.059 -16.084 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.403 -1.151 -15.740 1.00 0.00 N ATOM 0 H GLN A 77 3.682 -0.723 -12.520 1.00 0.00 H new ATOM 0 HA GLN A 77 1.763 0.976 -13.770 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.618 -1.591 -12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.186 -0.809 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.539 -1.770 -14.460 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.033 -2.641 -14.247 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.915 -1.840 -15.189 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.864 -0.669 -16.512 1.00 0.00 H new ATOM 1166 N VAL A 78 1.784 0.806 -10.469 1.00 0.00 N ATOM 1167 CA VAL A 78 1.321 1.476 -9.259 1.00 0.00 C ATOM 1168 C VAL A 78 1.786 2.927 -9.222 1.00 0.00 C ATOM 1169 O VAL A 78 0.972 3.851 -9.224 1.00 0.00 O ATOM 1170 CB VAL A 78 1.822 0.755 -7.993 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.139 1.316 -6.755 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.591 -0.744 -8.107 1.00 0.00 C ATOM 0 H VAL A 78 2.421 0.027 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 78 0.232 1.448 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 78 2.894 0.927 -7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.505 0.795 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.361 2.380 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.061 1.176 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.951 -1.237 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.526 -0.940 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.131 -1.131 -8.971 1.00 0.00 H new ATOM 1182 N VAL A 79 3.100 3.121 -9.190 1.00 0.00 N ATOM 1183 CA VAL A 79 3.675 4.461 -9.154 1.00 0.00 C ATOM 1184 C VAL A 79 2.951 5.395 -10.118 1.00 0.00 C ATOM 1185 O VAL A 79 2.830 6.592 -9.863 1.00 0.00 O ATOM 1186 CB VAL A 79 5.174 4.439 -9.506 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.369 4.223 -10.999 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.846 5.726 -9.052 1.00 0.00 C ATOM 0 H VAL A 79 3.787 2.367 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 79 3.555 4.830 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 79 5.641 3.607 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.434 4.210 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.924 3.272 -11.290 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.889 5.032 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.905 5.694 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.378 6.576 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.737 5.832 -7.973 1.00 0.00 H new ATOM 1198 N GLU A 80 2.473 4.837 -11.226 1.00 0.00 N ATOM 1199 CA GLU A 80 1.761 5.621 -12.229 1.00 0.00 C ATOM 1200 C GLU A 80 0.342 5.937 -11.767 1.00 0.00 C ATOM 1201 O GLU A 80 -0.196 7.005 -12.060 1.00 0.00 O ATOM 1202 CB GLU A 80 1.721 4.870 -13.561 1.00 0.00 C ATOM 1203 CG GLU A 80 1.253 5.724 -14.728 1.00 0.00 C ATOM 1204 CD GLU A 80 2.393 6.455 -15.410 1.00 0.00 C ATOM 1205 OE1 GLU A 80 3.051 5.848 -16.280 1.00 0.00 O ATOM 1206 OE2 GLU A 80 2.626 7.635 -15.074 1.00 0.00 O ATOM 0 H GLU A 80 2.566 3.847 -11.452 1.00 0.00 H new ATOM 0 HA GLU A 80 2.297 6.560 -12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.716 4.484 -13.781 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.059 4.009 -13.463 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.745 5.091 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.522 6.450 -14.372 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.260 4.999 -11.043 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.618 5.175 -10.539 1.00 0.00 C ATOM 1215 C LEU A 81 -1.663 6.252 -9.460 1.00 0.00 C ATOM 1216 O LEU A 81 -2.514 7.141 -9.490 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.151 3.855 -9.981 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.684 2.858 -11.010 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.718 1.454 -10.426 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.069 3.272 -11.486 1.00 0.00 C ATOM 0 H LEU A 81 0.171 4.109 -10.792 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.249 5.492 -11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.352 3.373 -9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.950 4.079 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.011 2.857 -11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.100 0.758 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.711 1.157 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.368 1.440 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.433 2.551 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.752 3.303 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.016 4.259 -11.945 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.740 6.167 -8.507 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.672 7.136 -7.420 1.00 0.00 C ATOM 1234 C VAL A 82 -0.407 8.541 -7.951 1.00 0.00 C ATOM 1235 O VAL A 82 -0.797 9.532 -7.334 1.00 0.00 O ATOM 1236 CB VAL A 82 0.428 6.767 -6.407 1.00 0.00 C ATOM 1237 CG1 VAL A 82 0.360 7.677 -5.190 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.306 5.306 -5.998 1.00 0.00 C ATOM 0 H VAL A 82 -0.029 5.437 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.640 7.117 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 82 1.399 6.908 -6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.145 7.401 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.499 8.712 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.613 7.570 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.091 5.062 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.669 5.137 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.408 4.672 -6.879 1.00 0.00 H new ATOM 1248 N ARG A 83 0.257 8.617 -9.099 1.00 0.00 N ATOM 1249 CA ARG A 83 0.575 9.901 -9.714 1.00 0.00 C ATOM 1250 C ARG A 83 -0.673 10.538 -10.318 1.00 0.00 C ATOM 1251 O ARG A 83 -0.941 11.722 -10.110 1.00 0.00 O ATOM 1252 CB ARG A 83 1.643 9.723 -10.794 1.00 0.00 C ATOM 1253 CG ARG A 83 3.065 9.755 -10.257 1.00 0.00 C ATOM 1254 CD ARG A 83 4.081 9.464 -11.350 1.00 0.00 C ATOM 1255 NE ARG A 83 4.056 10.476 -12.404 1.00 0.00 N ATOM 1256 CZ ARG A 83 5.025 10.628 -13.299 1.00 0.00 C ATOM 1257 NH1 ARG A 83 6.090 9.839 -13.269 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.930 11.572 -14.227 1.00 0.00 N ATOM 0 H ARG A 83 0.585 7.805 -9.622 1.00 0.00 H new ATOM 0 HA ARG A 83 0.960 10.562 -8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.478 8.774 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.528 10.509 -11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.268 10.733 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.169 9.022 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.079 9.419 -10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.877 8.485 -11.783 1.00 0.00 H new ATOM 0 HE ARG A 83 3.250 11.099 -12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.167 9.113 -12.557 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.833 9.958 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.112 12.181 -14.253 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.675 11.688 -14.914 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.432 9.746 -11.066 1.00 0.00 N ATOM 1273 CA LYS A 84 -2.653 10.231 -11.700 1.00 0.00 C ATOM 1274 C LYS A 84 -3.764 10.414 -10.672 1.00 0.00 C ATOM 1275 O LYS A 84 -4.626 11.280 -10.823 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.107 9.258 -12.791 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.512 7.895 -12.259 1.00 0.00 C ATOM 1278 CD LYS A 84 -3.990 6.980 -13.375 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.452 7.227 -13.710 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.621 8.371 -14.649 1.00 0.00 N ATOM 0 H LYS A 84 -1.224 8.764 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.438 11.199 -12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.949 9.694 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.300 9.132 -13.513 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.665 7.436 -11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.304 8.013 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.380 7.139 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.854 5.940 -13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.880 6.328 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.006 7.425 -12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.394 8.164 -15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.849 9.231 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.739 8.518 -15.179 1.00 0.00 H new ATOM 1294 N SER A 85 -3.738 9.594 -9.626 1.00 0.00 N ATOM 1295 CA SER A 85 -4.745 9.664 -8.574 1.00 0.00 C ATOM 1296 C SER A 85 -5.168 11.108 -8.322 1.00 0.00 C ATOM 1297 O SER A 85 -6.353 11.436 -8.363 1.00 0.00 O ATOM 1298 CB SER A 85 -4.207 9.046 -7.282 1.00 0.00 C ATOM 1299 OG SER A 85 -4.440 7.648 -7.251 1.00 0.00 O ATOM 0 H SER A 85 -3.030 8.873 -9.485 1.00 0.00 H new ATOM 0 HA SER A 85 -5.618 9.100 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.138 9.242 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.685 9.517 -6.423 1.00 0.00 H new ATOM 0 HG SER A 85 -3.894 7.210 -7.937 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.188 11.969 -8.062 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.478 13.368 -7.807 1.00 0.00 C ATOM 1307 C GLY A 86 -3.789 13.884 -6.559 1.00 0.00 C ATOM 1308 O GLY A 86 -2.890 13.236 -6.025 1.00 0.00 O ATOM 0 H GLY A 86 -3.199 11.722 -8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.164 13.963 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.555 13.500 -7.705 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.211 15.055 -6.094 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.627 15.660 -4.902 1.00 0.00 C ATOM 1314 C ASN A 87 -3.801 14.750 -3.690 1.00 0.00 C ATOM 1315 O ASN A 87 -2.925 14.672 -2.829 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.269 17.022 -4.629 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.342 17.886 -5.872 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -5.366 17.926 -6.555 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.253 18.585 -6.172 1.00 0.00 N ATOM 0 H ASN A 87 -4.955 15.604 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.561 15.798 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.274 16.874 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.697 17.543 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.243 19.185 -6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.426 18.522 -5.578 1.00 0.00 H new ATOM 1326 N SER A 88 -4.938 14.064 -3.630 1.00 0.00 N ATOM 1327 CA SER A 88 -5.230 13.162 -2.522 1.00 0.00 C ATOM 1328 C SER A 88 -5.198 11.708 -2.982 1.00 0.00 C ATOM 1329 O SER A 88 -5.858 11.338 -3.954 1.00 0.00 O ATOM 1330 CB SER A 88 -6.597 13.488 -1.917 1.00 0.00 C ATOM 1331 OG SER A 88 -7.598 13.539 -2.918 1.00 0.00 O ATOM 0 H SER A 88 -5.672 14.116 -4.336 1.00 0.00 H new ATOM 0 HA SER A 88 -4.462 13.301 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.859 12.734 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.549 14.445 -1.397 1.00 0.00 H new ATOM 0 HG SER A 88 -7.375 12.910 -3.636 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.426 10.887 -2.278 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.308 9.473 -2.612 1.00 0.00 C ATOM 1339 C VAL A 89 -4.529 8.598 -1.384 1.00 0.00 C ATOM 1340 O VAL A 89 -4.059 8.912 -0.290 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.928 9.152 -3.216 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.879 7.712 -3.703 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.604 10.117 -4.347 1.00 0.00 C ATOM 0 H VAL A 89 -3.872 11.177 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.079 9.257 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.174 9.273 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.896 7.504 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.063 7.038 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.642 7.560 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.625 9.876 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.360 10.031 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.594 11.137 -3.963 1.00 0.00 H new ATOM 1353 N THR A 90 -5.249 7.495 -1.571 1.00 0.00 N ATOM 1354 CA THR A 90 -5.534 6.574 -0.479 1.00 0.00 C ATOM 1355 C THR A 90 -4.652 5.333 -0.562 1.00 0.00 C ATOM 1356 O THR A 90 -4.741 4.558 -1.516 1.00 0.00 O ATOM 1357 CB THR A 90 -7.012 6.140 -0.481 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.851 7.261 -0.781 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.405 5.552 0.866 1.00 0.00 C ATOM 0 H THR A 90 -5.645 7.219 -2.470 1.00 0.00 H new ATOM 0 HA THR A 90 -5.321 7.107 0.448 1.00 0.00 H new ATOM 0 HB THR A 90 -7.142 5.374 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.789 6.977 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.453 5.253 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.784 4.682 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.260 6.300 1.646 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.801 5.150 0.441 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.902 4.001 0.482 1.00 0.00 C ATOM 1369 C LEU A 91 -3.206 3.114 1.685 1.00 0.00 C ATOM 1370 O LEU A 91 -3.111 3.551 2.832 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.447 4.469 0.534 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.072 5.603 -0.420 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.397 5.967 -0.266 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.378 5.213 -1.859 1.00 0.00 C ATOM 0 H LEU A 91 -3.714 5.782 1.237 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.057 3.417 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.226 4.789 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.804 3.615 0.322 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.671 6.478 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.645 6.776 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.587 6.289 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.013 5.097 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.105 6.032 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.806 4.324 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.443 5.003 -1.961 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.571 1.865 1.415 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.887 0.915 2.476 1.00 0.00 C ATOM 1388 C LEU A 92 -2.657 0.098 2.860 1.00 0.00 C ATOM 1389 O LEU A 92 -2.143 -0.684 2.060 1.00 0.00 O ATOM 1390 CB LEU A 92 -5.014 -0.019 2.031 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.406 0.606 1.940 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.379 -0.353 1.272 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.906 0.999 3.322 1.00 0.00 C ATOM 0 H LEU A 92 -3.655 1.487 0.471 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.213 1.479 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.756 -0.427 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.059 -0.858 2.725 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.339 1.507 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.365 0.109 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.029 -0.584 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.442 -1.272 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.898 1.442 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.957 0.114 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.222 1.723 3.764 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.189 0.285 4.090 1.00 0.00 N ATOM 1406 CA VAL A 93 -1.022 -0.436 4.582 1.00 0.00 C ATOM 1407 C VAL A 93 -1.406 -1.417 5.684 1.00 0.00 C ATOM 1408 O VAL A 93 -2.374 -1.201 6.413 1.00 0.00 O ATOM 1409 CB VAL A 93 0.049 0.531 5.121 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.541 1.453 4.016 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.499 1.333 6.292 1.00 0.00 C ATOM 0 H VAL A 93 -2.601 0.930 4.764 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.611 -0.987 3.736 1.00 0.00 H new ATOM 0 HB VAL A 93 0.897 -0.055 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.297 2.129 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.975 0.858 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.296 2.034 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.271 2.011 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.364 1.910 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.797 0.654 7.091 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.641 -2.497 5.799 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.900 -3.514 6.813 1.00 0.00 C ATOM 1423 C LEU A 94 0.338 -3.755 7.671 1.00 0.00 C ATOM 1424 O LEU A 94 1.463 -3.493 7.243 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.340 -4.821 6.152 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.739 -5.952 7.101 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.149 -5.736 7.626 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.629 -7.299 6.402 1.00 0.00 C ATOM 0 H LEU A 94 0.164 -2.691 5.203 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.701 -3.153 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.185 -4.607 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.528 -5.176 5.518 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.053 -5.948 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.415 -6.551 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.196 -4.790 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.849 -5.713 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.917 -8.092 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.290 -7.314 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.601 -7.457 6.076 1.00 0.00 H new ATOM 1440 N ASP A 95 0.124 -4.259 8.881 1.00 0.00 N ATOM 1441 CA ASP A 95 1.222 -4.540 9.798 1.00 0.00 C ATOM 1442 C ASP A 95 2.053 -5.721 9.305 1.00 0.00 C ATOM 1443 O ASP A 95 1.512 -6.723 8.840 1.00 0.00 O ATOM 1444 CB ASP A 95 0.684 -4.830 11.200 1.00 0.00 C ATOM 1445 CG ASP A 95 0.288 -3.567 11.940 1.00 0.00 C ATOM 1446 OD1 ASP A 95 0.813 -2.488 11.596 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.549 -3.659 12.863 1.00 0.00 O ATOM 0 H ASP A 95 -0.801 -4.481 9.250 1.00 0.00 H new ATOM 0 HA ASP A 95 1.862 -3.659 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.180 -5.490 11.125 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.443 -5.362 11.774 1.00 0.00 H new ATOM 1452 N GLY A 96 3.373 -5.594 9.409 1.00 0.00 N ATOM 1453 CA GLY A 96 4.257 -6.657 8.969 1.00 0.00 C ATOM 1454 C GLY A 96 3.789 -8.026 9.422 1.00 0.00 C ATOM 1455 O GLY A 96 3.322 -8.828 8.614 1.00 0.00 O ATOM 0 H GLY A 96 3.845 -4.774 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.325 -6.641 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.260 -6.474 9.354 1.00 0.00 H new ATOM 1459 N ASP A 97 3.917 -8.294 10.717 1.00 0.00 N ATOM 1460 CA ASP A 97 3.503 -9.576 11.276 1.00 0.00 C ATOM 1461 C ASP A 97 2.210 -10.060 10.628 1.00 0.00 C ATOM 1462 O ASP A 97 2.141 -11.180 10.120 1.00 0.00 O ATOM 1463 CB ASP A 97 3.317 -9.459 12.790 1.00 0.00 C ATOM 1464 CG ASP A 97 4.601 -9.086 13.505 1.00 0.00 C ATOM 1465 OD1 ASP A 97 5.632 -9.741 13.251 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.573 -8.138 14.318 1.00 0.00 O ATOM 0 H ASP A 97 4.304 -7.641 11.399 1.00 0.00 H new ATOM 0 HA ASP A 97 4.286 -10.305 11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.555 -8.709 13.002 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.949 -10.407 13.182 1.00 0.00 H new ATOM 1471 N SER A 98 1.189 -9.210 10.650 1.00 0.00 N ATOM 1472 CA SER A 98 -0.104 -9.554 10.068 1.00 0.00 C ATOM 1473 C SER A 98 0.061 -10.059 8.638 1.00 0.00 C ATOM 1474 O SER A 98 -0.396 -11.150 8.296 1.00 0.00 O ATOM 1475 CB SER A 98 -1.035 -8.340 10.089 1.00 0.00 C ATOM 1476 OG SER A 98 -2.394 -8.739 10.056 1.00 0.00 O ATOM 0 H SER A 98 1.231 -8.279 11.064 1.00 0.00 H new ATOM 0 HA SER A 98 -0.544 -10.351 10.667 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.848 -7.750 10.986 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.820 -7.698 9.234 1.00 0.00 H new ATOM 0 HG SER A 98 -2.447 -9.710 9.937 1.00 0.00 H new ATOM 1482 N TYR A 99 0.717 -9.257 7.806 1.00 0.00 N ATOM 1483 CA TYR A 99 0.941 -9.620 6.412 1.00 0.00 C ATOM 1484 C TYR A 99 1.524 -11.025 6.302 1.00 0.00 C ATOM 1485 O TYR A 99 1.017 -11.862 5.555 1.00 0.00 O ATOM 1486 CB TYR A 99 1.879 -8.613 5.745 1.00 0.00 C ATOM 1487 CG TYR A 99 1.696 -8.513 4.248 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.270 -9.447 3.394 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.948 -7.486 3.687 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.105 -9.360 2.025 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.777 -7.391 2.319 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.358 -8.330 1.493 1.00 0.00 C ATOM 1493 OH TYR A 99 1.191 -8.240 0.130 1.00 0.00 O ATOM 0 H TYR A 99 1.103 -8.351 8.073 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.021 -9.604 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.718 -7.630 6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.910 -8.894 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.855 -10.255 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.492 -6.749 4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.558 -10.094 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.192 -6.586 1.899 1.00 0.00 H new ATOM 0 HH TYR A 99 0.638 -7.459 -0.081 1.00 0.00 H new ATOM 1503 N GLU A 100 2.592 -11.277 7.052 1.00 0.00 N ATOM 1504 CA GLU A 100 3.244 -12.581 7.039 1.00 0.00 C ATOM 1505 C GLU A 100 2.285 -13.674 7.502 1.00 0.00 C ATOM 1506 O GLU A 100 2.307 -14.793 6.990 1.00 0.00 O ATOM 1507 CB GLU A 100 4.486 -12.564 7.933 1.00 0.00 C ATOM 1508 CG GLU A 100 5.484 -11.478 7.568 1.00 0.00 C ATOM 1509 CD GLU A 100 6.742 -11.534 8.413 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.668 -12.040 9.552 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.799 -11.071 7.936 1.00 0.00 O ATOM 0 H GLU A 100 3.024 -10.596 7.676 1.00 0.00 H new ATOM 0 HA GLU A 100 3.546 -12.797 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.176 -12.427 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.979 -13.534 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.753 -11.575 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.013 -10.502 7.688 1.00 0.00 H new ATOM 1518 N LYS A 101 1.444 -13.341 8.475 1.00 0.00 N ATOM 1519 CA LYS A 101 0.476 -14.292 9.009 1.00 0.00 C ATOM 1520 C LYS A 101 -0.516 -14.721 7.932 1.00 0.00 C ATOM 1521 O LYS A 101 -0.825 -15.904 7.796 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.275 -13.677 10.192 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.263 -14.627 10.846 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.688 -14.132 12.218 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.740 -14.616 13.304 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.981 -16.043 13.655 1.00 0.00 N ATOM 0 H LYS A 101 1.413 -12.419 8.910 1.00 0.00 H new ATOM 0 HA LYS A 101 1.020 -15.173 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.448 -13.347 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.808 -12.790 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.141 -14.735 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.812 -15.615 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.718 -13.042 12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.698 -14.479 12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.290 -14.494 12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.861 -13.998 14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.386 -16.306 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.982 -16.175 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.743 -16.646 12.842 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.009 -13.752 7.168 1.00 0.00 N ATOM 1541 CA ALA A 102 -1.963 -14.031 6.101 1.00 0.00 C ATOM 1542 C ALA A 102 -1.269 -14.656 4.896 1.00 0.00 C ATOM 1543 O ALA A 102 -1.557 -15.794 4.523 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.686 -12.756 5.694 1.00 0.00 C ATOM 0 H ALA A 102 -0.764 -12.767 7.268 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.695 -14.746 6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.395 -12.979 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.221 -12.351 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.961 -12.023 5.340 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.356 -13.906 4.288 1.00 0.00 N ATOM 1551 CA VAL A 103 0.379 -14.387 3.125 1.00 0.00 C ATOM 1552 C VAL A 103 0.844 -15.825 3.325 1.00 0.00 C ATOM 1553 O VAL A 103 1.052 -16.562 2.360 1.00 0.00 O ATOM 1554 CB VAL A 103 1.602 -13.500 2.827 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.685 -13.714 3.873 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.136 -13.781 1.430 1.00 0.00 C ATOM 0 H VAL A 103 -0.107 -12.961 4.582 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.306 -14.344 2.278 1.00 0.00 H new ATOM 0 HB VAL A 103 1.291 -12.456 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.541 -13.079 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.295 -13.458 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.996 -14.759 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.000 -13.145 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.432 -14.828 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.359 -13.571 0.695 1.00 0.00 H new ATOM 1566 N LYS A 104 1.005 -16.219 4.583 1.00 0.00 N ATOM 1567 CA LYS A 104 1.444 -17.570 4.912 1.00 0.00 C ATOM 1568 C LYS A 104 0.269 -18.543 4.898 1.00 0.00 C ATOM 1569 O LYS A 104 0.403 -19.685 4.462 1.00 0.00 O ATOM 1570 CB LYS A 104 2.119 -17.589 6.285 1.00 0.00 C ATOM 1571 CG LYS A 104 3.595 -17.233 6.243 1.00 0.00 C ATOM 1572 CD LYS A 104 4.453 -18.448 5.931 1.00 0.00 C ATOM 1573 CE LYS A 104 5.926 -18.081 5.840 1.00 0.00 C ATOM 1574 NZ LYS A 104 6.700 -19.083 5.057 1.00 0.00 N ATOM 0 H LYS A 104 0.838 -15.621 5.393 1.00 0.00 H new ATOM 0 HA LYS A 104 2.163 -17.885 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.604 -16.889 6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.006 -18.581 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.763 -16.464 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.896 -16.811 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.312 -19.203 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.129 -18.892 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.028 -17.100 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.344 -18.003 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.699 -18.797 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.624 -20.014 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.318 -19.139 4.091 1.00 0.00 H new ATOM 1588 N ASN A 105 -0.882 -18.080 5.375 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.081 -18.910 5.416 1.00 0.00 C ATOM 1590 C ASN A 105 -2.924 -18.709 4.161 1.00 0.00 C ATOM 1591 O ASN A 105 -4.098 -19.077 4.125 1.00 0.00 O ATOM 1592 CB ASN A 105 -2.910 -18.583 6.659 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.150 -18.839 7.946 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.615 -19.928 8.158 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.098 -17.834 8.813 1.00 0.00 N ATOM 0 H ASN A 105 -1.010 -17.135 5.738 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.770 -19.954 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.216 -17.538 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.821 -19.182 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.600 -17.947 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.556 -16.949 8.596 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.316 -18.124 3.134 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.012 -17.875 1.877 1.00 0.00 C ATOM 1604 C GLN A 106 -4.385 -17.261 2.127 1.00 0.00 C ATOM 1605 O GLN A 106 -5.373 -17.649 1.502 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.158 -19.175 1.083 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.917 -19.544 0.287 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.412 -18.400 -0.571 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -1.947 -18.132 -1.646 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -0.375 -17.718 -0.098 1.00 0.00 N ATOM 0 H GLN A 106 -1.344 -17.814 3.147 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.419 -17.168 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.393 -19.987 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.003 -19.081 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.129 -19.854 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.140 -20.400 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.038 -17.975 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.008 -16.938 -0.631 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.441 -16.301 3.045 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.694 -15.633 3.377 1.00 0.00 C ATOM 1621 C VAL A 107 -6.035 -14.562 2.348 1.00 0.00 C ATOM 1622 O VAL A 107 -5.228 -13.675 2.068 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.631 -14.987 4.774 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.929 -14.256 5.083 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.335 -16.037 5.834 1.00 0.00 C ATOM 0 H VAL A 107 -3.633 -15.969 3.572 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.472 -16.397 3.372 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.821 -14.258 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.866 -13.806 6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.093 -13.476 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.759 -14.962 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.294 -15.563 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.122 -16.792 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.377 -16.510 5.620 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.236 -14.649 1.787 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.686 -13.686 0.789 1.00 0.00 C ATOM 1637 C ASP A 108 -7.336 -12.262 1.211 1.00 0.00 C ATOM 1638 O ASP A 108 -7.963 -11.697 2.107 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.195 -13.810 0.574 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.630 -15.243 0.338 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.857 -16.004 -0.282 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.744 -15.604 0.773 1.00 0.00 O ATOM 0 H ASP A 108 -7.916 -15.377 2.007 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.174 -13.905 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.717 -13.414 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.489 -13.199 -0.279 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.329 -11.690 0.561 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.893 -10.332 0.869 1.00 0.00 C ATOM 1649 C LEU A 109 -6.761 -9.305 0.148 1.00 0.00 C ATOM 1650 O LEU A 109 -6.895 -8.166 0.596 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.427 -10.144 0.475 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.404 -10.921 1.305 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.014 -10.782 0.704 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.413 -10.440 2.749 1.00 0.00 C ATOM 0 H LEU A 109 -5.799 -12.145 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.997 -10.178 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.312 -10.433 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.187 -9.083 0.540 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.680 -11.976 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.299 -11.341 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.016 -11.175 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.729 -9.730 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.679 -11.004 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.162 -9.380 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.404 -10.592 3.177 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.351 -9.716 -0.969 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.209 -8.834 -1.751 1.00 0.00 C ATOM 1668 C LYS A 110 -9.433 -8.412 -0.945 1.00 0.00 C ATOM 1669 O LYS A 110 -10.077 -7.411 -1.257 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.649 -9.530 -3.041 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.680 -9.341 -4.195 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.186 -10.008 -5.464 1.00 0.00 C ATOM 1673 CE LYS A 110 -7.709 -11.448 -5.565 1.00 0.00 C ATOM 1674 NZ LYS A 110 -8.648 -12.392 -4.899 1.00 0.00 N ATOM 0 H LYS A 110 -7.251 -10.655 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.637 -7.941 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.766 -10.596 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.628 -9.150 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.532 -8.276 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.708 -9.756 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.276 -9.983 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.841 -9.448 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.602 -11.722 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.722 -11.536 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.146 -12.910 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.438 -11.860 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.016 -13.067 -5.599 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.748 -9.182 0.092 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.895 -8.885 0.942 1.00 0.00 C ATOM 1690 C GLU A 111 -10.571 -7.760 1.920 1.00 0.00 C ATOM 1691 O GLU A 111 -11.459 -7.027 2.357 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.325 -10.136 1.711 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.811 -11.264 0.816 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.597 -12.314 1.576 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.972 -13.261 2.099 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -13.838 -12.189 1.649 1.00 0.00 O ATOM 0 H GLU A 111 -9.226 -10.015 0.363 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.715 -8.561 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.485 -10.493 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.119 -9.869 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.435 -10.851 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.954 -11.735 0.334 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.293 -7.630 2.261 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.850 -6.594 3.188 1.00 0.00 C ATOM 1705 C LEU A 112 -9.346 -5.221 2.748 1.00 0.00 C ATOM 1706 O LEU A 112 -8.704 -4.547 1.942 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.324 -6.590 3.287 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.667 -7.940 3.574 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.154 -7.833 3.458 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.063 -8.444 4.955 1.00 0.00 C ATOM 0 H LEU A 112 -8.546 -8.229 1.910 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.271 -6.814 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.920 -6.204 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.033 -5.892 4.072 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.018 -8.658 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.704 -8.804 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.888 -7.518 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.785 -7.101 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.586 -9.406 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.741 -7.727 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.146 -8.561 5.003 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.491 -4.811 3.283 1.00 0.00 N ATOM 1723 CA ASP A 113 -11.072 -3.516 2.948 1.00 0.00 C ATOM 1724 C ASP A 113 -11.330 -2.694 4.207 1.00 0.00 C ATOM 1725 O ASP A 113 -12.390 -2.803 4.824 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.375 -3.703 2.170 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.297 -4.716 2.821 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.106 -5.008 4.020 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.210 -5.217 2.131 1.00 0.00 O ATOM 0 H ASP A 113 -11.035 -5.357 3.951 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.360 -2.977 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.889 -2.745 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.145 -4.025 1.154 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.354 -1.874 4.583 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.476 -1.036 5.770 1.00 0.00 C ATOM 1736 C GLN A 114 -11.876 -0.440 5.874 1.00 0.00 C ATOM 1737 O GLN A 114 -12.400 0.113 4.906 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.434 0.084 5.738 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.275 0.804 7.068 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.329 1.872 7.282 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.611 2.671 6.389 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.918 1.892 8.472 1.00 0.00 N ATOM 0 H GLN A 114 -9.471 -1.772 4.083 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.301 -1.662 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.472 -0.334 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.714 0.808 4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.329 0.078 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.286 1.260 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -10.654 1.211 9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.635 2.589 8.675 1.00 0.00 H new