USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.44) USER MOD Set 1.2: A 94 MET CE :methyl 174:sc= 0 (180deg=-0.0113) USER MOD Set 2.1: A 22 SER OG : rot 150:sc= -1.34 USER MOD Set 2.2: A 63 THR OG1 : rot 31:sc= 0.0337 USER MOD Single : A 15 THR OG1 : rot 39:sc= 0.0125 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -1.83! (180deg=-4.31!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.48) USER MOD Single : A 26 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0021) USER MOD Single : A 27 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0467) USER MOD Single : A 33 SER OG : rot 170:sc= -0.0463 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -9.93! C(o=-9.9!,f=-11!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.76) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= -1.16 (180deg=-3.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0318 K(o=-0.032,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00143 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 73 THR OG1 : rot -72:sc= 0.598 USER MOD Single : A 74 MET CE :methyl -145:sc= -0.278 (180deg=-1.13) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 81 SER OG : rot 180:sc= -0.894 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.381) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 141:sc= -1.5 USER MOD Single : A 95 CYS SG : rot 161:sc= 0.269 USER MOD Single : A 99 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -8.905 7.510 10.584 1.00 0.00 N ATOM 169 CA THR A 15 -7.681 7.297 9.823 1.00 0.00 C ATOM 170 C THR A 15 -6.887 6.119 10.377 1.00 0.00 C ATOM 171 O THR A 15 -6.460 6.133 11.532 1.00 0.00 O ATOM 172 CB THR A 15 -6.788 8.552 9.831 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.463 9.637 9.184 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.466 8.280 9.129 1.00 0.00 C ATOM 0 HA THR A 15 -7.981 7.080 8.798 1.00 0.00 H new ATOM 0 HB THR A 15 -6.582 8.818 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.413 9.622 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.852 9.181 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.942 7.473 9.641 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.656 7.991 8.095 1.00 0.00 H new ATOM 182 N LYS A 16 -6.691 5.100 9.547 1.00 0.00 N ATOM 183 CA LYS A 16 -5.947 3.914 9.953 1.00 0.00 C ATOM 184 C LYS A 16 -4.458 4.082 9.665 1.00 0.00 C ATOM 185 O LYS A 16 -4.041 5.070 9.063 1.00 0.00 O ATOM 186 CB LYS A 16 -6.481 2.678 9.227 1.00 0.00 C ATOM 187 CG LYS A 16 -7.785 2.151 9.802 1.00 0.00 C ATOM 188 CD LYS A 16 -7.538 1.120 10.891 1.00 0.00 C ATOM 189 CE LYS A 16 -7.394 1.775 12.256 1.00 0.00 C ATOM 190 NZ LYS A 16 -5.975 2.101 12.568 1.00 0.00 N ATOM 0 H LYS A 16 -7.038 5.072 8.588 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.080 3.782 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.629 2.921 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.730 1.889 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.365 2.979 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.381 1.705 9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.363 0.408 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.635 0.555 10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.991 2.686 12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.790 1.109 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.638 1.485 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.390 1.951 11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.905 3.095 12.866 1.00 0.00 H new ATOM 204 N GLU A 17 -3.663 3.108 10.099 1.00 0.00 N ATOM 205 CA GLU A 17 -2.221 3.149 9.886 1.00 0.00 C ATOM 206 C GLU A 17 -1.664 1.746 9.660 1.00 0.00 C ATOM 207 O GLU A 17 -1.994 0.810 10.390 1.00 0.00 O ATOM 208 CB GLU A 17 -1.525 3.799 11.084 1.00 0.00 C ATOM 209 CG GLU A 17 -2.047 5.187 11.412 1.00 0.00 C ATOM 210 CD GLU A 17 -1.595 5.674 12.775 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.390 5.961 12.931 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.445 5.767 13.685 1.00 0.00 O ATOM 0 H GLU A 17 -3.993 2.283 10.599 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.028 3.746 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.649 3.158 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.456 3.861 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.708 5.888 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.136 5.179 11.376 1.00 0.00 H new ATOM 219 N LEU A 18 -0.820 1.608 8.644 1.00 0.00 N ATOM 220 CA LEU A 18 -0.217 0.320 8.320 1.00 0.00 C ATOM 221 C LEU A 18 1.304 0.426 8.280 1.00 0.00 C ATOM 222 O LEU A 18 1.859 1.306 7.622 1.00 0.00 O ATOM 223 CB LEU A 18 -0.740 -0.186 6.974 1.00 0.00 C ATOM 224 CG LEU A 18 -0.805 -1.704 6.808 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.869 -2.296 7.718 1.00 0.00 C ATOM 226 CD2 LEU A 18 -1.078 -2.070 5.356 1.00 0.00 C ATOM 0 H LEU A 18 -0.538 2.372 8.030 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.493 -0.389 9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.740 0.220 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.106 0.219 6.185 1.00 0.00 H new ATOM 0 HG LEU A 18 0.160 -2.123 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.900 -3.377 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.630 -2.064 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.841 -1.871 7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.121 -3.155 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.030 -1.639 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.279 -1.679 4.726 1.00 0.00 H new ATOM 238 N VAL A 19 1.974 -0.480 8.986 1.00 0.00 N ATOM 239 CA VAL A 19 3.431 -0.491 9.029 1.00 0.00 C ATOM 240 C VAL A 19 3.977 -1.897 8.803 1.00 0.00 C ATOM 241 O VAL A 19 3.361 -2.885 9.202 1.00 0.00 O ATOM 242 CB VAL A 19 3.958 0.042 10.375 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.477 0.117 10.362 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.351 1.403 10.682 1.00 0.00 C ATOM 0 H VAL A 19 1.530 -1.216 9.536 1.00 0.00 H new ATOM 0 HA VAL A 19 3.776 0.163 8.228 1.00 0.00 H new ATOM 0 HB VAL A 19 3.660 -0.650 11.163 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.831 0.496 11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.889 -0.877 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.801 0.787 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.734 1.765 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.618 2.107 9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.266 1.314 10.737 1.00 0.00 H new ATOM 254 N PHE A 20 5.137 -1.979 8.161 1.00 0.00 N ATOM 255 CA PHE A 20 5.767 -3.264 7.881 1.00 0.00 C ATOM 256 C PHE A 20 7.148 -3.070 7.261 1.00 0.00 C ATOM 257 O PHE A 20 7.362 -2.150 6.472 1.00 0.00 O ATOM 258 CB PHE A 20 4.887 -4.094 6.944 1.00 0.00 C ATOM 259 CG PHE A 20 4.452 -3.349 5.714 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.301 -3.228 4.625 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.196 -2.769 5.647 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.904 -2.543 3.492 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.793 -2.084 4.516 1.00 0.00 C ATOM 264 CZ PHE A 20 3.649 -1.970 3.438 1.00 0.00 C ATOM 0 H PHE A 20 5.660 -1.171 7.825 1.00 0.00 H new ATOM 0 HA PHE A 20 5.884 -3.796 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.433 -4.988 6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.004 -4.427 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.284 -3.674 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.524 -2.853 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.575 -2.456 2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.810 -1.638 4.475 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.337 -1.433 2.554 1.00 0.00 H new ATOM 274 N SER A 21 8.082 -3.943 7.627 1.00 0.00 N ATOM 275 CA SER A 21 9.444 -3.865 7.111 1.00 0.00 C ATOM 276 C SER A 21 9.481 -4.199 5.623 1.00 0.00 C ATOM 277 O SER A 21 8.624 -4.924 5.116 1.00 0.00 O ATOM 278 CB SER A 21 10.358 -4.819 7.882 1.00 0.00 C ATOM 279 OG SER A 21 10.735 -4.267 9.131 1.00 0.00 O ATOM 0 H SER A 21 7.921 -4.711 8.278 1.00 0.00 H new ATOM 0 HA SER A 21 9.800 -2.843 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.847 -5.769 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.249 -5.031 7.291 1.00 0.00 H new ATOM 0 HG SER A 21 11.317 -4.897 9.605 1.00 0.00 H new ATOM 285 N SER A 22 10.479 -3.664 4.927 1.00 0.00 N ATOM 286 CA SER A 22 10.627 -3.901 3.496 1.00 0.00 C ATOM 287 C SER A 22 10.979 -5.359 3.220 1.00 0.00 C ATOM 288 O SER A 22 11.080 -5.778 2.068 1.00 0.00 O ATOM 289 CB SER A 22 11.706 -2.985 2.915 1.00 0.00 C ATOM 290 OG SER A 22 11.187 -1.694 2.643 1.00 0.00 O ATOM 0 H SER A 22 11.197 -3.063 5.331 1.00 0.00 H new ATOM 0 HA SER A 22 9.674 -3.679 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.537 -2.906 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.103 -3.421 1.998 1.00 0.00 H new ATOM 0 HG SER A 22 11.899 -1.028 2.742 1.00 0.00 H new ATOM 296 N ASN A 23 11.166 -6.128 4.288 1.00 0.00 N ATOM 297 CA ASN A 23 11.508 -7.540 4.162 1.00 0.00 C ATOM 298 C ASN A 23 10.250 -8.401 4.098 1.00 0.00 C ATOM 299 O ASN A 23 10.308 -9.617 4.285 1.00 0.00 O ATOM 300 CB ASN A 23 12.382 -7.982 5.338 1.00 0.00 C ATOM 301 CG ASN A 23 13.235 -9.190 5.004 1.00 0.00 C ATOM 302 OD1 ASN A 23 14.413 -9.059 4.670 1.00 0.00 O ATOM 303 ND2 ASN A 23 12.642 -10.375 5.091 1.00 0.00 N ATOM 0 H ASN A 23 11.086 -5.797 5.250 1.00 0.00 H new ATOM 0 HA ASN A 23 12.065 -7.671 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.028 -7.156 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.746 -8.215 6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.165 -11.224 4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.663 -10.436 5.372 1.00 0.00 H new ATOM 310 N ILE A 24 9.116 -7.762 3.831 1.00 0.00 N ATOM 311 CA ILE A 24 7.845 -8.470 3.740 1.00 0.00 C ATOM 312 C ILE A 24 7.798 -9.359 2.502 1.00 0.00 C ATOM 313 O ILE A 24 8.118 -8.921 1.397 1.00 0.00 O ATOM 314 CB ILE A 24 6.657 -7.490 3.699 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.334 -8.258 3.700 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.754 -6.591 2.476 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.137 -7.399 4.043 1.00 0.00 C ATOM 0 H ILE A 24 9.051 -6.756 3.674 1.00 0.00 H new ATOM 0 HA ILE A 24 7.765 -9.090 4.633 1.00 0.00 H new ATOM 0 HB ILE A 24 6.691 -6.863 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.181 -8.704 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.400 -9.078 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.908 -5.904 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.683 -6.022 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.741 -7.202 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.234 -8.009 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.267 -6.974 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.046 -6.594 3.314 1.00 0.00 H new ATOM 329 N GLY A 25 7.395 -10.611 2.694 1.00 0.00 N ATOM 330 CA GLY A 25 7.312 -11.542 1.584 1.00 0.00 C ATOM 331 C GLY A 25 6.061 -11.341 0.751 1.00 0.00 C ATOM 332 O GLY A 25 5.155 -10.609 1.148 1.00 0.00 O ATOM 0 H GLY A 25 7.124 -10.997 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.190 -11.425 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.330 -12.562 1.967 1.00 0.00 H new ATOM 336 N GLN A 26 6.013 -11.990 -0.408 1.00 0.00 N ATOM 337 CA GLN A 26 4.866 -11.876 -1.300 1.00 0.00 C ATOM 338 C GLN A 26 3.629 -12.519 -0.681 1.00 0.00 C ATOM 339 O GLN A 26 2.499 -12.122 -0.970 1.00 0.00 O ATOM 340 CB GLN A 26 5.174 -12.530 -2.648 1.00 0.00 C ATOM 341 CG GLN A 26 4.038 -12.418 -3.652 1.00 0.00 C ATOM 342 CD GLN A 26 4.084 -11.125 -4.443 1.00 0.00 C ATOM 343 OE1 GLN A 26 3.144 -10.331 -4.412 1.00 0.00 O ATOM 344 NE2 GLN A 26 5.182 -10.907 -5.157 1.00 0.00 N ATOM 0 H GLN A 26 6.755 -12.600 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 26 4.663 -10.816 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.067 -12.070 -3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.403 -13.583 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.082 -13.262 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.086 -12.484 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.937 -11.593 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.270 -10.054 -5.709 1.00 0.00 H new ATOM 353 N HIS A 27 3.849 -13.513 0.174 1.00 0.00 N ATOM 354 CA HIS A 27 2.752 -14.211 0.834 1.00 0.00 C ATOM 355 C HIS A 27 2.077 -13.310 1.864 1.00 0.00 C ATOM 356 O HIS A 27 0.875 -13.420 2.107 1.00 0.00 O ATOM 357 CB HIS A 27 3.262 -15.484 1.510 1.00 0.00 C ATOM 358 CG HIS A 27 3.643 -16.563 0.544 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.807 -17.294 0.653 1.00 0.00 N ATOM 360 CD2 HIS A 27 3.005 -17.035 -0.552 1.00 0.00 C ATOM 361 CE1 HIS A 27 4.870 -18.168 -0.336 1.00 0.00 C ATOM 362 NE2 HIS A 27 3.788 -18.032 -1.082 1.00 0.00 N ATOM 0 H HIS A 27 4.777 -13.853 0.426 1.00 0.00 H new ATOM 0 HA HIS A 27 2.017 -14.481 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.127 -15.237 2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.491 -15.864 2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.057 -16.692 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.670 -18.874 -0.506 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.570 -18.578 -1.915 1.00 0.00 H new ATOM 371 N ASP A 28 2.858 -12.420 2.467 1.00 0.00 N ATOM 372 CA ASP A 28 2.336 -11.500 3.470 1.00 0.00 C ATOM 373 C ASP A 28 1.801 -10.229 2.817 1.00 0.00 C ATOM 374 O ASP A 28 0.694 -9.782 3.118 1.00 0.00 O ATOM 375 CB ASP A 28 3.425 -11.147 4.485 1.00 0.00 C ATOM 376 CG ASP A 28 3.718 -12.287 5.439 1.00 0.00 C ATOM 377 OD1 ASP A 28 3.915 -13.424 4.962 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.751 -12.044 6.664 1.00 0.00 O ATOM 0 H ASP A 28 3.855 -12.317 2.278 1.00 0.00 H new ATOM 0 HA ASP A 28 1.514 -11.994 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.338 -10.877 3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.116 -10.271 5.055 1.00 0.00 H new ATOM 383 N LEU A 29 2.595 -9.651 1.922 1.00 0.00 N ATOM 384 CA LEU A 29 2.202 -8.431 1.226 1.00 0.00 C ATOM 385 C LEU A 29 0.874 -8.622 0.500 1.00 0.00 C ATOM 386 O LEU A 29 0.120 -7.668 0.304 1.00 0.00 O ATOM 387 CB LEU A 29 3.286 -8.018 0.229 1.00 0.00 C ATOM 388 CG LEU A 29 2.950 -6.831 -0.674 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.867 -5.548 0.139 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.983 -6.695 -1.783 1.00 0.00 C ATOM 0 H LEU A 29 3.514 -10.008 1.661 1.00 0.00 H new ATOM 0 HA LEU A 29 2.079 -7.642 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.192 -7.780 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.516 -8.876 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 29 1.977 -7.011 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.627 -4.714 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.089 -5.647 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.825 -5.362 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.728 -5.845 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.969 -6.538 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.994 -7.604 -2.384 1.00 0.00 H new ATOM 402 N ASP A 30 0.594 -9.859 0.106 1.00 0.00 N ATOM 403 CA ASP A 30 -0.645 -10.175 -0.595 1.00 0.00 C ATOM 404 C ASP A 30 -1.859 -9.784 0.242 1.00 0.00 C ATOM 405 O ASP A 30 -2.786 -9.139 -0.250 1.00 0.00 O ATOM 406 CB ASP A 30 -0.700 -11.667 -0.930 1.00 0.00 C ATOM 407 CG ASP A 30 -1.802 -11.998 -1.917 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.914 -11.449 -1.771 1.00 0.00 O ATOM 409 OD2 ASP A 30 -1.552 -12.807 -2.836 1.00 0.00 O ATOM 0 H ASP A 30 1.208 -10.659 0.260 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.666 -9.601 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.259 -11.979 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.854 -12.237 -0.014 1.00 0.00 H new ATOM 414 N THR A 31 -1.848 -10.179 1.511 1.00 0.00 N ATOM 415 CA THR A 31 -2.948 -9.872 2.417 1.00 0.00 C ATOM 416 C THR A 31 -2.947 -8.397 2.803 1.00 0.00 C ATOM 417 O THR A 31 -4.004 -7.789 2.972 1.00 0.00 O ATOM 418 CB THR A 31 -2.876 -10.726 3.697 1.00 0.00 C ATOM 419 OG1 THR A 31 -3.192 -12.089 3.395 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.836 -10.199 4.753 1.00 0.00 C ATOM 0 H THR A 31 -1.089 -10.713 1.935 1.00 0.00 H new ATOM 0 HA THR A 31 -3.870 -10.105 1.885 1.00 0.00 H new ATOM 0 HB THR A 31 -1.861 -10.668 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.142 -12.625 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.768 -10.818 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.574 -9.171 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.855 -10.231 4.367 1.00 0.00 H new ATOM 428 N LYS A 32 -1.755 -7.827 2.940 1.00 0.00 N ATOM 429 CA LYS A 32 -1.616 -6.422 3.304 1.00 0.00 C ATOM 430 C LYS A 32 -2.469 -5.539 2.399 1.00 0.00 C ATOM 431 O LYS A 32 -3.254 -4.719 2.876 1.00 0.00 O ATOM 432 CB LYS A 32 -0.149 -5.994 3.217 1.00 0.00 C ATOM 433 CG LYS A 32 0.750 -6.699 4.217 1.00 0.00 C ATOM 434 CD LYS A 32 0.686 -6.040 5.585 1.00 0.00 C ATOM 435 CE LYS A 32 1.552 -6.774 6.598 1.00 0.00 C ATOM 436 NZ LYS A 32 0.979 -8.099 6.962 1.00 0.00 N ATOM 0 H LYS A 32 -0.871 -8.317 2.804 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.963 -6.302 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.219 -6.189 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.083 -4.918 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.453 -7.744 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.778 -6.688 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.015 -5.004 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.347 -6.021 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.553 -6.911 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.656 -6.165 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.511 -8.500 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.018 -7.983 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.044 -8.741 6.146 1.00 0.00 H new ATOM 450 N SER A 33 -2.311 -5.712 1.091 1.00 0.00 N ATOM 451 CA SER A 33 -3.065 -4.928 0.119 1.00 0.00 C ATOM 452 C SER A 33 -4.562 -5.179 0.264 1.00 0.00 C ATOM 453 O SER A 33 -5.363 -4.244 0.273 1.00 0.00 O ATOM 454 CB SER A 33 -2.614 -5.270 -1.303 1.00 0.00 C ATOM 455 OG SER A 33 -1.328 -4.738 -1.571 1.00 0.00 O ATOM 0 H SER A 33 -1.668 -6.388 0.679 1.00 0.00 H new ATOM 0 HA SER A 33 -2.871 -3.873 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.598 -6.352 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.332 -4.874 -2.021 1.00 0.00 H new ATOM 0 HG SER A 33 -0.994 -5.101 -2.418 1.00 0.00 H new ATOM 461 N LYS A 34 -4.935 -6.450 0.377 1.00 0.00 N ATOM 462 CA LYS A 34 -6.336 -6.827 0.522 1.00 0.00 C ATOM 463 C LYS A 34 -6.973 -6.107 1.706 1.00 0.00 C ATOM 464 O LYS A 34 -8.083 -5.586 1.602 1.00 0.00 O ATOM 465 CB LYS A 34 -6.461 -8.341 0.706 1.00 0.00 C ATOM 466 CG LYS A 34 -6.049 -9.139 -0.519 1.00 0.00 C ATOM 467 CD LYS A 34 -6.511 -10.583 -0.426 1.00 0.00 C ATOM 468 CE LYS A 34 -5.876 -11.296 0.758 1.00 0.00 C ATOM 469 NZ LYS A 34 -6.419 -12.672 0.933 1.00 0.00 N ATOM 0 H LYS A 34 -4.286 -7.237 0.371 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.862 -6.532 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.846 -8.648 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.493 -8.584 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.470 -8.678 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.965 -9.109 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.596 -10.613 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.257 -11.108 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.797 -11.347 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.050 -10.719 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.961 -13.125 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.445 -12.622 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.230 -13.231 0.077 1.00 0.00 H new ATOM 483 N GLN A 35 -6.262 -6.080 2.829 1.00 0.00 N ATOM 484 CA GLN A 35 -6.759 -5.422 4.031 1.00 0.00 C ATOM 485 C GLN A 35 -7.043 -3.947 3.767 1.00 0.00 C ATOM 486 O GLN A 35 -8.167 -3.479 3.948 1.00 0.00 O ATOM 487 CB GLN A 35 -5.748 -5.563 5.171 1.00 0.00 C ATOM 488 CG GLN A 35 -6.380 -5.532 6.553 1.00 0.00 C ATOM 489 CD GLN A 35 -7.214 -4.287 6.785 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.776 -3.171 6.505 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.424 -4.472 7.300 1.00 0.00 N ATOM 0 H GLN A 35 -5.341 -6.506 2.931 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.692 -5.906 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.205 -6.500 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.016 -4.759 5.097 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.007 -6.414 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.596 -5.586 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.747 -5.415 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.030 -3.671 7.478 1.00 0.00 H new ATOM 500 N ILE A 36 -6.017 -3.219 3.339 1.00 0.00 N ATOM 501 CA ILE A 36 -6.157 -1.798 3.049 1.00 0.00 C ATOM 502 C ILE A 36 -7.365 -1.535 2.157 1.00 0.00 C ATOM 503 O ILE A 36 -8.122 -0.591 2.384 1.00 0.00 O ATOM 504 CB ILE A 36 -4.896 -1.236 2.365 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.668 -1.457 3.250 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.075 0.243 2.058 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.356 -1.322 2.508 1.00 0.00 C ATOM 0 H ILE A 36 -5.080 -3.590 3.185 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.298 -1.294 4.005 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.743 -1.766 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.688 -0.740 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.724 -2.451 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.176 0.626 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.929 0.376 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.249 0.789 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.529 -1.491 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.315 -2.057 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.278 -0.320 2.087 1.00 0.00 H new ATOM 519 N GLN A 37 -7.541 -2.377 1.144 1.00 0.00 N ATOM 520 CA GLN A 37 -8.659 -2.236 0.219 1.00 0.00 C ATOM 521 C GLN A 37 -9.974 -2.080 0.974 1.00 0.00 C ATOM 522 O GLN A 37 -10.737 -1.147 0.725 1.00 0.00 O ATOM 523 CB GLN A 37 -8.732 -3.446 -0.714 1.00 0.00 C ATOM 524 CG GLN A 37 -9.533 -3.190 -1.981 1.00 0.00 C ATOM 525 CD GLN A 37 -9.821 -4.461 -2.756 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.663 -5.267 -2.358 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.123 -4.646 -3.870 1.00 0.00 N ATOM 0 H GLN A 37 -6.924 -3.164 0.943 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.495 -1.337 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.720 -3.745 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.177 -4.283 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.475 -2.707 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.985 -2.496 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.435 -3.952 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.275 -5.482 -4.434 1.00 0.00 H new ATOM 536 N GLN A 38 -10.233 -3.000 1.898 1.00 0.00 N ATOM 537 CA GLN A 38 -11.457 -2.965 2.689 1.00 0.00 C ATOM 538 C GLN A 38 -11.626 -1.612 3.371 1.00 0.00 C ATOM 539 O GLN A 38 -12.742 -1.108 3.505 1.00 0.00 O ATOM 540 CB GLN A 38 -11.445 -4.080 3.737 1.00 0.00 C ATOM 541 CG GLN A 38 -11.685 -5.464 3.156 1.00 0.00 C ATOM 542 CD GLN A 38 -13.122 -5.674 2.723 1.00 0.00 C ATOM 543 OE1 GLN A 38 -14.054 -5.202 3.375 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.310 -6.384 1.617 1.00 0.00 N ATOM 0 H GLN A 38 -9.611 -3.779 2.117 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.299 -3.119 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.484 -4.073 4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.209 -3.872 4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.026 -5.614 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.420 -6.217 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.509 -6.756 1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.256 -6.557 1.277 1.00 0.00 H new ATOM 553 N TRP A 39 -10.513 -1.028 3.800 1.00 0.00 N ATOM 554 CA TRP A 39 -10.539 0.268 4.469 1.00 0.00 C ATOM 555 C TRP A 39 -10.908 1.378 3.491 1.00 0.00 C ATOM 556 O TRP A 39 -11.895 2.087 3.688 1.00 0.00 O ATOM 557 CB TRP A 39 -9.179 0.563 5.105 1.00 0.00 C ATOM 558 CG TRP A 39 -8.937 -0.202 6.371 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.880 -0.641 7.256 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.670 -0.614 6.894 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.274 -1.302 8.297 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.919 -1.301 8.098 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.349 -0.473 6.461 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.896 -1.841 8.872 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.334 -1.010 7.230 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.612 -1.688 8.424 1.00 0.00 C ATOM 0 H TRP A 39 -9.582 -1.431 3.697 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.298 0.231 5.250 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.392 0.325 4.389 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.108 1.630 5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.945 -0.491 7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.756 -1.725 9.090 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.125 0.047 5.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.108 -2.362 9.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.309 -0.905 6.905 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.797 -2.098 9.002 1.00 0.00 H new ATOM 577 N ILE A 40 -10.111 1.522 2.438 1.00 0.00 N ATOM 578 CA ILE A 40 -10.357 2.546 1.430 1.00 0.00 C ATOM 579 C ILE A 40 -11.826 2.575 1.023 1.00 0.00 C ATOM 580 O ILE A 40 -12.396 3.642 0.796 1.00 0.00 O ATOM 581 CB ILE A 40 -9.493 2.319 0.175 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.008 2.312 0.546 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.779 3.391 -0.866 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.506 3.645 1.055 1.00 0.00 C ATOM 0 H ILE A 40 -9.290 0.943 2.261 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.088 3.502 1.879 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.746 1.349 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.836 1.553 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.425 2.023 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.161 3.217 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.831 3.353 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.550 4.372 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.446 3.566 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.646 4.404 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.063 3.927 1.948 1.00 0.00 H new ATOM 596 N GLU A 41 -12.434 1.396 0.934 1.00 0.00 N ATOM 597 CA GLU A 41 -13.838 1.287 0.556 1.00 0.00 C ATOM 598 C GLU A 41 -14.702 2.223 1.396 1.00 0.00 C ATOM 599 O GLU A 41 -15.501 2.994 0.864 1.00 0.00 O ATOM 600 CB GLU A 41 -14.322 -0.155 0.718 1.00 0.00 C ATOM 601 CG GLU A 41 -13.704 -1.121 -0.279 1.00 0.00 C ATOM 602 CD GLU A 41 -14.496 -1.214 -1.569 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.427 -0.263 -2.377 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.184 -2.236 -1.771 1.00 0.00 O ATOM 0 H GLU A 41 -11.976 0.503 1.118 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.930 1.578 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.094 -0.494 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.406 -0.179 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.686 -0.803 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.636 -2.110 0.173 1.00 0.00 H new ATOM 611 N LYS A 42 -14.536 2.150 2.712 1.00 0.00 N ATOM 612 CA LYS A 42 -15.299 2.989 3.628 1.00 0.00 C ATOM 613 C LYS A 42 -14.621 4.343 3.818 1.00 0.00 C ATOM 614 O LYS A 42 -14.703 4.945 4.889 1.00 0.00 O ATOM 615 CB LYS A 42 -15.456 2.292 4.981 1.00 0.00 C ATOM 616 CG LYS A 42 -16.489 1.178 4.974 1.00 0.00 C ATOM 617 CD LYS A 42 -16.471 0.393 6.275 1.00 0.00 C ATOM 618 CE LYS A 42 -17.558 -0.671 6.299 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.656 -1.333 7.630 1.00 0.00 N ATOM 0 H LYS A 42 -13.879 1.517 3.169 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.285 3.153 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.493 1.881 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.736 3.032 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.481 1.601 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.294 0.505 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.496 -0.078 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.609 1.075 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.516 -0.217 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.350 -1.420 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.408 -2.051 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.749 -1.788 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.880 -0.622 8.356 1.00 0.00 H new ATOM 633 N LYS A 43 -13.953 4.817 2.772 1.00 0.00 N ATOM 634 CA LYS A 43 -13.263 6.100 2.821 1.00 0.00 C ATOM 635 C LYS A 43 -12.396 6.204 4.072 1.00 0.00 C ATOM 636 O LYS A 43 -12.418 7.216 4.772 1.00 0.00 O ATOM 637 CB LYS A 43 -14.275 7.248 2.793 1.00 0.00 C ATOM 638 CG LYS A 43 -15.123 7.281 1.533 1.00 0.00 C ATOM 639 CD LYS A 43 -14.354 7.865 0.359 1.00 0.00 C ATOM 640 CE LYS A 43 -14.163 9.366 0.510 1.00 0.00 C ATOM 641 NZ LYS A 43 -12.930 9.694 1.277 1.00 0.00 N ATOM 0 H LYS A 43 -13.875 4.331 1.879 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.618 6.171 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.930 7.165 3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.741 8.194 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.452 6.271 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.020 7.873 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.381 7.379 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.889 7.656 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.110 9.826 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.029 9.793 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.192 10.111 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.379 8.826 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.356 10.374 0.738 1.00 0.00 H new ATOM 655 N TYR A 44 -11.632 5.152 4.345 1.00 0.00 N ATOM 656 CA TYR A 44 -10.758 5.125 5.512 1.00 0.00 C ATOM 657 C TYR A 44 -9.329 5.497 5.130 1.00 0.00 C ATOM 658 O TYR A 44 -8.691 4.816 4.327 1.00 0.00 O ATOM 659 CB TYR A 44 -10.781 3.739 6.160 1.00 0.00 C ATOM 660 CG TYR A 44 -11.971 3.513 7.064 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.231 4.366 8.129 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.835 2.446 6.854 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.317 4.163 8.959 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.925 2.236 7.677 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.161 3.097 8.728 1.00 0.00 C ATOM 666 OH TYR A 44 -15.244 2.890 9.552 1.00 0.00 O ATOM 0 H TYR A 44 -11.600 4.307 3.774 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.126 5.860 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.781 2.981 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.866 3.601 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.573 5.203 8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.652 1.769 6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.504 4.835 9.784 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.588 1.403 7.498 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.737 2.098 9.252 1.00 0.00 H new ATOM 676 N HIS A 45 -8.831 6.583 5.714 1.00 0.00 N ATOM 677 CA HIS A 45 -7.476 7.047 5.437 1.00 0.00 C ATOM 678 C HIS A 45 -6.444 6.089 6.023 1.00 0.00 C ATOM 679 O HIS A 45 -6.267 6.019 7.239 1.00 0.00 O ATOM 680 CB HIS A 45 -7.269 8.450 6.007 1.00 0.00 C ATOM 681 CG HIS A 45 -7.666 9.544 5.065 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.905 9.914 3.977 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.754 10.350 5.052 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.506 10.901 3.336 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.631 11.184 3.968 1.00 0.00 N ATOM 0 H HIS A 45 -9.345 7.158 6.382 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.343 7.079 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.845 8.548 6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.219 8.574 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.567 10.339 5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.140 11.393 2.447 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.299 11.905 3.695 1.00 0.00 H new ATOM 694 N VAL A 46 -5.765 5.351 5.150 1.00 0.00 N ATOM 695 CA VAL A 46 -4.750 4.397 5.581 1.00 0.00 C ATOM 696 C VAL A 46 -3.348 4.962 5.386 1.00 0.00 C ATOM 697 O VAL A 46 -2.928 5.231 4.261 1.00 0.00 O ATOM 698 CB VAL A 46 -4.868 3.067 4.813 1.00 0.00 C ATOM 699 CG1 VAL A 46 -3.989 2.002 5.451 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.318 2.611 4.757 1.00 0.00 C ATOM 0 H VAL A 46 -5.900 5.396 4.140 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.919 4.211 6.642 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.522 3.225 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.085 1.070 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.949 2.329 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.301 1.843 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.383 1.670 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.694 2.469 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.918 3.367 4.250 1.00 0.00 H new ATOM 710 N GLN A 47 -2.628 5.138 6.489 1.00 0.00 N ATOM 711 CA GLN A 47 -1.272 5.671 6.439 1.00 0.00 C ATOM 712 C GLN A 47 -0.244 4.544 6.415 1.00 0.00 C ATOM 713 O GLN A 47 0.060 3.945 7.447 1.00 0.00 O ATOM 714 CB GLN A 47 -1.016 6.585 7.639 1.00 0.00 C ATOM 715 CG GLN A 47 0.331 7.288 7.591 1.00 0.00 C ATOM 716 CD GLN A 47 0.389 8.500 8.500 1.00 0.00 C ATOM 717 OE1 GLN A 47 -0.224 9.531 8.220 1.00 0.00 O ATOM 718 NE2 GLN A 47 1.127 8.382 9.598 1.00 0.00 N ATOM 0 H GLN A 47 -2.961 4.919 7.428 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.170 6.250 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.806 7.334 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.077 5.995 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.114 6.586 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.539 7.597 6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.618 7.509 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.202 9.164 10.248 1.00 0.00 H new ATOM 727 N VAL A 48 0.287 4.259 5.230 1.00 0.00 N ATOM 728 CA VAL A 48 1.281 3.205 5.072 1.00 0.00 C ATOM 729 C VAL A 48 2.684 3.723 5.364 1.00 0.00 C ATOM 730 O VAL A 48 3.047 4.829 4.960 1.00 0.00 O ATOM 731 CB VAL A 48 1.250 2.613 3.650 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.294 1.517 3.504 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.138 2.086 3.322 1.00 0.00 C ATOM 0 H VAL A 48 0.045 4.744 4.366 1.00 0.00 H new ATOM 0 HA VAL A 48 1.029 2.424 5.789 1.00 0.00 H new ATOM 0 HB VAL A 48 1.489 3.405 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.257 1.111 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.285 1.931 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.090 0.722 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.141 1.672 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.410 1.308 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.860 2.900 3.382 1.00 0.00 H new ATOM 743 N THR A 49 3.472 2.918 6.070 1.00 0.00 N ATOM 744 CA THR A 49 4.836 3.295 6.418 1.00 0.00 C ATOM 745 C THR A 49 5.785 2.108 6.289 1.00 0.00 C ATOM 746 O THR A 49 5.671 1.128 7.026 1.00 0.00 O ATOM 747 CB THR A 49 4.917 3.849 7.853 1.00 0.00 C ATOM 748 OG1 THR A 49 3.998 4.935 8.011 1.00 0.00 O ATOM 749 CG2 THR A 49 6.328 4.321 8.171 1.00 0.00 C ATOM 0 H THR A 49 3.188 2.000 6.412 1.00 0.00 H new ATOM 0 HA THR A 49 5.137 4.075 5.718 1.00 0.00 H new ATOM 0 HB THR A 49 4.654 3.048 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.054 5.281 8.926 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.361 4.708 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.021 3.485 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.614 5.109 7.474 1.00 0.00 H new ATOM 757 N ILE A 50 6.719 2.203 5.349 1.00 0.00 N ATOM 758 CA ILE A 50 7.689 1.137 5.126 1.00 0.00 C ATOM 759 C ILE A 50 8.985 1.406 5.883 1.00 0.00 C ATOM 760 O ILE A 50 9.535 2.506 5.825 1.00 0.00 O ATOM 761 CB ILE A 50 8.007 0.971 3.629 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.749 0.559 2.860 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.113 -0.056 3.433 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.921 0.594 1.358 1.00 0.00 C ATOM 0 H ILE A 50 6.825 3.006 4.730 1.00 0.00 H new ATOM 0 HA ILE A 50 7.238 0.217 5.498 1.00 0.00 H new ATOM 0 HB ILE A 50 8.352 1.928 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.462 -0.448 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.929 1.221 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.327 -0.162 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.013 0.274 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.793 -1.017 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.991 0.290 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.178 1.606 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.719 -0.089 1.067 1.00 0.00 H new ATOM 776 N LYS A 51 9.470 0.393 6.593 1.00 0.00 N ATOM 777 CA LYS A 51 10.703 0.516 7.360 1.00 0.00 C ATOM 778 C LYS A 51 11.830 -0.280 6.710 1.00 0.00 C ATOM 779 O LYS A 51 11.646 -1.435 6.326 1.00 0.00 O ATOM 780 CB LYS A 51 10.486 0.033 8.796 1.00 0.00 C ATOM 781 CG LYS A 51 9.259 0.634 9.460 1.00 0.00 C ATOM 782 CD LYS A 51 8.882 -0.123 10.723 1.00 0.00 C ATOM 783 CE LYS A 51 9.610 0.426 11.940 1.00 0.00 C ATOM 784 NZ LYS A 51 9.554 -0.516 13.092 1.00 0.00 N ATOM 0 H LYS A 51 9.027 -0.524 6.653 1.00 0.00 H new ATOM 0 HA LYS A 51 10.987 1.568 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.393 -1.053 8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.367 0.277 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.451 1.679 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.422 0.619 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.806 -0.056 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.121 -1.179 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.651 0.623 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.167 1.379 12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.062 -0.105 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.562 -0.685 13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.999 -1.417 12.825 1.00 0.00 H new ATOM 978 N THR A 63 11.847 0.373 -1.372 1.00 0.00 N ATOM 979 CA THR A 63 10.781 0.847 -0.498 1.00 0.00 C ATOM 980 C THR A 63 9.743 1.644 -1.280 1.00 0.00 C ATOM 981 O THR A 63 8.574 1.698 -0.899 1.00 0.00 O ATOM 982 CB THR A 63 11.336 1.724 0.640 1.00 0.00 C ATOM 983 OG1 THR A 63 12.115 0.927 1.538 1.00 0.00 O ATOM 984 CG2 THR A 63 10.206 2.399 1.402 1.00 0.00 C ATOM 0 HA THR A 63 10.308 -0.036 -0.068 1.00 0.00 H new ATOM 0 HB THR A 63 11.968 2.495 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.531 0.189 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.622 3.013 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.633 3.029 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.552 1.640 1.831 1.00 0.00 H new ATOM 992 N GLU A 64 10.178 2.261 -2.374 1.00 0.00 N ATOM 993 CA GLU A 64 9.284 3.056 -3.208 1.00 0.00 C ATOM 994 C GLU A 64 8.456 2.160 -4.125 1.00 0.00 C ATOM 995 O GLU A 64 7.227 2.224 -4.126 1.00 0.00 O ATOM 996 CB GLU A 64 10.086 4.057 -4.042 1.00 0.00 C ATOM 997 CG GLU A 64 10.359 5.368 -3.324 1.00 0.00 C ATOM 998 CD GLU A 64 11.657 6.016 -3.765 1.00 0.00 C ATOM 999 OE1 GLU A 64 12.646 5.281 -3.970 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.684 7.256 -3.905 1.00 0.00 O ATOM 0 H GLU A 64 11.143 2.226 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 64 8.605 3.602 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.036 3.603 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.544 4.264 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.534 6.056 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.394 5.189 -2.249 1.00 0.00 H new ATOM 1007 N GLU A 65 9.140 1.328 -4.904 1.00 0.00 N ATOM 1008 CA GLU A 65 8.467 0.421 -5.827 1.00 0.00 C ATOM 1009 C GLU A 65 7.258 -0.232 -5.163 1.00 0.00 C ATOM 1010 O GLU A 65 6.177 -0.300 -5.750 1.00 0.00 O ATOM 1011 CB GLU A 65 9.438 -0.657 -6.316 1.00 0.00 C ATOM 1012 CG GLU A 65 9.733 -1.726 -5.278 1.00 0.00 C ATOM 1013 CD GLU A 65 10.796 -2.706 -5.736 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.681 -2.298 -6.516 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.743 -3.880 -5.314 1.00 0.00 O ATOM 0 H GLU A 65 10.158 1.263 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 65 8.121 1.003 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.023 -1.131 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.374 -0.183 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.058 -1.249 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.816 -2.270 -5.051 1.00 0.00 H new ATOM 1022 N ILE A 66 7.449 -0.710 -3.939 1.00 0.00 N ATOM 1023 CA ILE A 66 6.374 -1.356 -3.195 1.00 0.00 C ATOM 1024 C ILE A 66 5.082 -0.551 -3.284 1.00 0.00 C ATOM 1025 O ILE A 66 4.047 -1.062 -3.710 1.00 0.00 O ATOM 1026 CB ILE A 66 6.748 -1.544 -1.713 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.791 -2.654 -1.565 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.509 -1.861 -0.890 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.134 -2.972 -0.126 1.00 0.00 C ATOM 0 H ILE A 66 8.338 -0.663 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 66 6.221 -2.335 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 66 7.179 -0.614 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.420 -3.557 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.700 -2.360 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.790 -1.991 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.796 -1.041 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.052 -2.779 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.879 -3.767 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.535 -2.081 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.236 -3.297 0.399 1.00 0.00 H new ATOM 1041 N PHE A 67 5.151 0.713 -2.880 1.00 0.00 N ATOM 1042 CA PHE A 67 3.987 1.591 -2.914 1.00 0.00 C ATOM 1043 C PHE A 67 3.106 1.279 -4.120 1.00 0.00 C ATOM 1044 O PHE A 67 1.880 1.324 -4.034 1.00 0.00 O ATOM 1045 CB PHE A 67 4.428 3.056 -2.955 1.00 0.00 C ATOM 1046 CG PHE A 67 4.764 3.619 -1.604 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.846 3.564 -0.568 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.998 4.204 -1.371 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.153 4.082 0.676 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.311 4.724 -0.129 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.387 4.662 0.896 1.00 0.00 C ATOM 0 H PHE A 67 6.000 1.152 -2.525 1.00 0.00 H new ATOM 0 HA PHE A 67 3.406 1.419 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.299 3.147 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.633 3.654 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.880 3.111 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.724 4.254 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.429 4.033 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.276 5.178 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.629 5.066 1.868 1.00 0.00 H new ATOM 1061 N ASN A 68 3.741 0.963 -5.243 1.00 0.00 N ATOM 1062 CA ASN A 68 3.016 0.645 -6.468 1.00 0.00 C ATOM 1063 C ASN A 68 2.389 -0.744 -6.383 1.00 0.00 C ATOM 1064 O ASN A 68 1.228 -0.934 -6.745 1.00 0.00 O ATOM 1065 CB ASN A 68 3.953 0.721 -7.675 1.00 0.00 C ATOM 1066 CG ASN A 68 4.383 2.142 -7.984 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.598 2.944 -8.489 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.637 2.459 -7.681 1.00 0.00 N ATOM 0 H ASN A 68 4.756 0.920 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 68 2.219 1.378 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.836 0.110 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.454 0.298 -8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.984 3.400 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.253 1.761 -7.263 1.00 0.00 H new ATOM 1075 N GLN A 69 3.166 -1.709 -5.903 1.00 0.00 N ATOM 1076 CA GLN A 69 2.687 -3.080 -5.771 1.00 0.00 C ATOM 1077 C GLN A 69 1.357 -3.123 -5.026 1.00 0.00 C ATOM 1078 O GLN A 69 0.564 -4.047 -5.204 1.00 0.00 O ATOM 1079 CB GLN A 69 3.722 -3.937 -5.040 1.00 0.00 C ATOM 1080 CG GLN A 69 5.076 -3.977 -5.730 1.00 0.00 C ATOM 1081 CD GLN A 69 5.830 -5.264 -5.462 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.326 -6.163 -4.789 1.00 0.00 O ATOM 1083 NE2 GLN A 69 7.045 -5.359 -5.989 1.00 0.00 N ATOM 0 H GLN A 69 4.129 -1.567 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 69 2.535 -3.482 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.850 -3.552 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.340 -4.954 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.935 -3.860 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.676 -3.132 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.423 -4.589 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.600 -6.202 -5.842 1.00 0.00 H new ATOM 1092 N ILE A 70 1.120 -2.117 -4.191 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.115 -2.039 -3.419 1.00 0.00 C ATOM 1094 C ILE A 70 -1.223 -1.367 -4.222 1.00 0.00 C ATOM 1095 O ILE A 70 -2.330 -1.896 -4.337 1.00 0.00 O ATOM 1096 CB ILE A 70 0.092 -1.267 -2.103 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.200 -1.917 -1.273 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.207 -1.211 -1.313 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.662 -1.068 -0.110 1.00 0.00 C ATOM 0 H ILE A 70 1.767 -1.344 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.408 -3.063 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 70 0.394 -0.247 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.844 -2.875 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.052 -2.127 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.045 -0.662 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.971 -0.707 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.537 -2.224 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.448 -1.592 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.049 -0.120 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.822 -0.880 0.559 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.919 -0.199 -4.778 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.889 0.546 -5.573 1.00 0.00 C ATOM 1113 C LEU A 71 -2.270 -0.227 -6.831 1.00 0.00 C ATOM 1114 O LEU A 71 -3.285 0.062 -7.464 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.323 1.915 -5.953 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.316 2.909 -6.555 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.094 3.617 -5.457 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.594 3.918 -7.435 1.00 0.00 C ATOM 0 H LEU A 71 -0.008 0.252 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.786 0.686 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.885 2.365 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.512 1.765 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.023 2.357 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.796 4.321 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.643 2.882 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.402 4.156 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.317 4.617 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.864 4.465 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.083 3.396 -8.244 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.449 -1.210 -7.187 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.702 -2.025 -8.369 1.00 0.00 C ATOM 1132 C GLN A 72 -2.917 -2.924 -8.162 1.00 0.00 C ATOM 1133 O GLN A 72 -3.450 -3.496 -9.114 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.474 -2.876 -8.700 1.00 0.00 C ATOM 1135 CG GLN A 72 0.567 -2.144 -9.531 1.00 0.00 C ATOM 1136 CD GLN A 72 1.490 -3.089 -10.274 1.00 0.00 C ATOM 1137 OE1 GLN A 72 2.199 -3.891 -9.664 1.00 0.00 O ATOM 1138 NE2 GLN A 72 1.487 -3.001 -11.599 1.00 0.00 N ATOM 0 H GLN A 72 -0.604 -1.461 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.907 -1.355 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.014 -3.212 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.795 -3.768 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.064 -1.495 -10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.159 -1.501 -8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.884 -2.322 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.088 -3.612 -12.152 1.00 0.00 H new ATOM 1147 N THR A 73 -3.351 -3.044 -6.911 1.00 0.00 N ATOM 1148 CA THR A 73 -4.502 -3.874 -6.578 1.00 0.00 C ATOM 1149 C THR A 73 -5.777 -3.042 -6.502 1.00 0.00 C ATOM 1150 O THR A 73 -6.880 -3.564 -6.654 1.00 0.00 O ATOM 1151 CB THR A 73 -4.299 -4.606 -5.238 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.613 -3.730 -4.150 1.00 0.00 O ATOM 1153 CG2 THR A 73 -2.866 -5.098 -5.102 1.00 0.00 C ATOM 0 H THR A 73 -2.923 -2.577 -6.112 1.00 0.00 H new ATOM 0 HA THR A 73 -4.600 -4.611 -7.375 1.00 0.00 H new ATOM 0 HB THR A 73 -4.966 -5.468 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.914 -3.049 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.747 -5.612 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.639 -5.787 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.184 -4.249 -5.145 1.00 0.00 H new ATOM 1161 N MET A 74 -5.616 -1.744 -6.266 1.00 0.00 N ATOM 1162 CA MET A 74 -6.756 -0.838 -6.171 1.00 0.00 C ATOM 1163 C MET A 74 -6.567 0.370 -7.082 1.00 0.00 C ATOM 1164 O MET A 74 -6.821 1.513 -6.699 1.00 0.00 O ATOM 1165 CB MET A 74 -6.949 -0.377 -4.726 1.00 0.00 C ATOM 1166 CG MET A 74 -5.644 -0.188 -3.968 1.00 0.00 C ATOM 1167 SD MET A 74 -5.901 0.158 -2.218 1.00 0.00 S ATOM 1168 CE MET A 74 -5.201 -1.314 -1.475 1.00 0.00 C ATOM 0 H MET A 74 -4.709 -1.296 -6.137 1.00 0.00 H new ATOM 0 HA MET A 74 -7.646 -1.378 -6.494 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.500 0.563 -4.724 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.563 -1.108 -4.199 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.035 -1.086 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.083 0.631 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.771 -1.578 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.241 -2.136 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.164 -1.124 -1.199 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.110 0.116 -8.318 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.877 1.171 -9.308 1.00 0.00 C ATOM 1180 C PRO A 75 -7.176 1.791 -9.811 1.00 0.00 C ATOM 1181 O PRO A 75 -7.161 2.795 -10.524 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.160 0.438 -10.445 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.594 -0.981 -10.314 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.786 -1.221 -8.842 1.00 0.00 C ATOM 0 HA PRO A 75 -5.308 2.002 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.436 0.848 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.078 0.531 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.519 -1.158 -10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.845 -1.658 -10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.590 -1.933 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.886 -1.626 -8.380 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.299 1.188 -9.434 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.608 1.683 -9.846 1.00 0.00 C ATOM 1194 C ASP A 76 -10.493 1.950 -8.633 1.00 0.00 C ATOM 1195 O ASP A 76 -11.635 2.390 -8.771 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.287 0.677 -10.777 1.00 0.00 C ATOM 1197 CG ASP A 76 -11.076 -0.372 -10.019 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -10.448 -1.243 -9.382 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -12.323 -0.321 -10.063 1.00 0.00 O ATOM 0 H ASP A 76 -8.329 0.356 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.463 2.621 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.953 1.208 -11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.531 0.186 -11.390 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.960 1.681 -7.446 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.702 1.892 -6.210 1.00 0.00 C ATOM 1206 C ILE A 77 -9.942 2.816 -5.264 1.00 0.00 C ATOM 1207 O ILE A 77 -10.519 3.380 -4.335 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.988 0.561 -5.490 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.103 0.786 -3.981 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.895 -0.453 -5.797 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.411 -0.474 -3.203 1.00 0.00 C ATOM 0 H ILE A 77 -9.017 1.316 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.649 2.357 -6.486 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.937 0.166 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.169 1.211 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.885 1.521 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.111 -1.388 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.856 -0.632 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.934 -0.066 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.478 -0.239 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.360 -0.889 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.617 -1.204 -3.363 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.645 2.967 -5.508 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.807 3.825 -4.680 1.00 0.00 C ATOM 1225 C ALA A 78 -6.748 4.533 -5.520 1.00 0.00 C ATOM 1226 O ALA A 78 -6.430 4.103 -6.629 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.150 3.014 -3.574 1.00 0.00 C ATOM 0 H ALA A 78 -8.151 2.506 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.444 4.585 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.527 3.668 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.919 2.560 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.532 2.232 -4.015 1.00 0.00 H new ATOM 1233 N THR A 79 -6.204 5.621 -4.984 1.00 0.00 N ATOM 1234 CA THR A 79 -5.183 6.389 -5.684 1.00 0.00 C ATOM 1235 C THR A 79 -4.211 7.035 -4.703 1.00 0.00 C ATOM 1236 O THR A 79 -4.422 7.000 -3.491 1.00 0.00 O ATOM 1237 CB THR A 79 -5.810 7.486 -6.565 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.791 8.147 -7.324 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.555 8.503 -5.713 1.00 0.00 C ATOM 0 H THR A 79 -6.454 5.990 -4.067 1.00 0.00 H new ATOM 0 HA THR A 79 -4.642 5.688 -6.319 1.00 0.00 H new ATOM 0 HB THR A 79 -6.520 7.014 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.198 8.842 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.989 9.268 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.348 8.002 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.862 8.969 -5.013 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.145 7.624 -5.234 1.00 0.00 N ATOM 1248 CA PHE A 80 -2.139 8.278 -4.405 1.00 0.00 C ATOM 1249 C PHE A 80 -2.694 9.556 -3.784 1.00 0.00 C ATOM 1250 O PHE A 80 -2.804 10.585 -4.450 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.894 8.599 -5.233 1.00 0.00 C ATOM 1252 CG PHE A 80 0.148 7.517 -5.193 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.001 7.399 -4.108 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.274 6.620 -6.241 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.960 6.405 -4.068 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.231 5.623 -6.206 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.076 5.516 -5.119 1.00 0.00 C ATOM 0 H PHE A 80 -2.955 7.662 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.865 7.593 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.190 8.769 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.455 9.528 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.916 8.092 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.383 6.700 -7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.618 6.323 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.318 4.928 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.826 4.739 -5.091 1.00 0.00 H new ATOM 1267 N SER A 81 -3.043 9.482 -2.503 1.00 0.00 N ATOM 1268 CA SER A 81 -3.591 10.632 -1.792 1.00 0.00 C ATOM 1269 C SER A 81 -2.482 11.597 -1.384 1.00 0.00 C ATOM 1270 O SER A 81 -2.502 12.772 -1.748 1.00 0.00 O ATOM 1271 CB SER A 81 -4.364 10.172 -0.555 1.00 0.00 C ATOM 1272 OG SER A 81 -5.146 11.226 -0.021 1.00 0.00 O ATOM 0 H SER A 81 -2.956 8.638 -1.937 1.00 0.00 H new ATOM 0 HA SER A 81 -4.273 11.153 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.009 9.333 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.666 9.814 0.201 1.00 0.00 H new ATOM 0 HG SER A 81 -5.632 10.906 0.768 1.00 0.00 H new ATOM 1278 N SER A 82 -1.516 11.090 -0.624 1.00 0.00 N ATOM 1279 CA SER A 82 -0.400 11.907 -0.161 1.00 0.00 C ATOM 1280 C SER A 82 0.928 11.340 -0.652 1.00 0.00 C ATOM 1281 O SER A 82 1.466 10.397 -0.071 1.00 0.00 O ATOM 1282 CB SER A 82 -0.400 11.989 1.367 1.00 0.00 C ATOM 1283 OG SER A 82 -1.474 12.785 1.835 1.00 0.00 O ATOM 0 H SER A 82 -1.484 10.118 -0.316 1.00 0.00 H new ATOM 0 HA SER A 82 -0.521 12.910 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.476 10.986 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.545 12.409 1.712 1.00 0.00 H new ATOM 0 HG SER A 82 -1.453 12.820 2.814 1.00 0.00 H new ATOM 1289 N ARG A 83 1.452 11.921 -1.726 1.00 0.00 N ATOM 1290 CA ARG A 83 2.716 11.474 -2.297 1.00 0.00 C ATOM 1291 C ARG A 83 3.664 10.988 -1.205 1.00 0.00 C ATOM 1292 O ARG A 83 3.789 11.596 -0.141 1.00 0.00 O ATOM 1293 CB ARG A 83 3.372 12.607 -3.089 1.00 0.00 C ATOM 1294 CG ARG A 83 2.930 12.669 -4.542 1.00 0.00 C ATOM 1295 CD ARG A 83 1.578 13.351 -4.684 1.00 0.00 C ATOM 1296 NE ARG A 83 1.237 13.604 -6.081 1.00 0.00 N ATOM 1297 CZ ARG A 83 1.722 14.622 -6.783 1.00 0.00 C ATOM 1298 NH1 ARG A 83 2.565 15.477 -6.221 1.00 0.00 N ATOM 1299 NH2 ARG A 83 1.364 14.786 -8.051 1.00 0.00 N ATOM 0 H ARG A 83 1.020 12.703 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 83 2.507 10.643 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.141 13.557 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.455 12.485 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.674 13.209 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.874 11.660 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.808 12.727 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.588 14.294 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 83 0.591 12.964 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.843 15.354 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.936 16.258 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.716 14.130 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.737 15.568 -8.589 1.00 0.00 H new ATOM 1313 N PRO A 84 4.349 9.866 -1.471 1.00 0.00 N ATOM 1314 CA PRO A 84 5.297 9.273 -0.523 1.00 0.00 C ATOM 1315 C PRO A 84 6.556 10.118 -0.358 1.00 0.00 C ATOM 1316 O PRO A 84 7.208 10.478 -1.338 1.00 0.00 O ATOM 1317 CB PRO A 84 5.639 7.924 -1.160 1.00 0.00 C ATOM 1318 CG PRO A 84 5.395 8.120 -2.617 1.00 0.00 C ATOM 1319 CD PRO A 84 4.250 9.089 -2.718 1.00 0.00 C ATOM 0 HA PRO A 84 4.875 9.192 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.675 7.646 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.014 7.127 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.283 8.512 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.151 7.175 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.340 9.727 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.293 8.573 -2.795 1.00 0.00 H new ATOM 1327 N LYS A 85 6.893 10.431 0.889 1.00 0.00 N ATOM 1328 CA LYS A 85 8.075 11.232 1.184 1.00 0.00 C ATOM 1329 C LYS A 85 9.077 10.438 2.015 1.00 0.00 C ATOM 1330 O LYS A 85 8.743 9.395 2.577 1.00 0.00 O ATOM 1331 CB LYS A 85 7.678 12.509 1.928 1.00 0.00 C ATOM 1332 CG LYS A 85 7.297 12.274 3.380 1.00 0.00 C ATOM 1333 CD LYS A 85 5.812 11.986 3.527 1.00 0.00 C ATOM 1334 CE LYS A 85 5.020 13.259 3.782 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.517 13.863 2.516 1.00 0.00 N ATOM 0 H LYS A 85 6.364 10.142 1.712 1.00 0.00 H new ATOM 0 HA LYS A 85 8.546 11.501 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.507 13.215 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.838 12.974 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.872 11.437 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.559 13.151 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.443 11.502 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.655 11.288 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.178 13.038 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.650 13.980 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.749 14.530 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.292 14.369 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.159 13.112 1.891 1.00 0.00 H new ATOM 1349 N ALA A 86 10.306 10.939 2.090 1.00 0.00 N ATOM 1350 CA ALA A 86 11.355 10.277 2.855 1.00 0.00 C ATOM 1351 C ALA A 86 11.375 10.769 4.298 1.00 0.00 C ATOM 1352 O ALA A 86 11.793 11.893 4.575 1.00 0.00 O ATOM 1353 CB ALA A 86 12.709 10.504 2.200 1.00 0.00 C ATOM 0 H ALA A 86 10.599 11.801 1.630 1.00 0.00 H new ATOM 0 HA ALA A 86 11.143 9.208 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.483 10.004 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.696 10.098 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.919 11.573 2.160 1.00 0.00 H new ATOM 1359 N ILE A 87 10.919 9.920 5.214 1.00 0.00 N ATOM 1360 CA ILE A 87 10.885 10.269 6.628 1.00 0.00 C ATOM 1361 C ILE A 87 11.979 9.540 7.401 1.00 0.00 C ATOM 1362 O ILE A 87 12.580 8.590 6.899 1.00 0.00 O ATOM 1363 CB ILE A 87 9.519 9.936 7.258 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.260 8.429 7.201 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.409 10.697 6.547 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.280 7.945 8.246 1.00 0.00 C ATOM 0 H ILE A 87 10.568 8.986 5.001 1.00 0.00 H new ATOM 0 HA ILE A 87 11.053 11.344 6.691 1.00 0.00 H new ATOM 0 HB ILE A 87 9.533 10.244 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.881 8.171 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.205 7.901 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.450 10.452 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.589 11.769 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.392 10.417 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.144 6.868 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.666 8.172 9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.322 8.446 8.106 1.00 0.00 H new ATOM 1378 N ARG A 88 12.231 9.989 8.626 1.00 0.00 N ATOM 1379 CA ARG A 88 13.252 9.379 9.469 1.00 0.00 C ATOM 1380 C ARG A 88 14.601 9.354 8.756 1.00 0.00 C ATOM 1381 O ARG A 88 15.394 8.431 8.938 1.00 0.00 O ATOM 1382 CB ARG A 88 12.841 7.958 9.856 1.00 0.00 C ATOM 1383 CG ARG A 88 11.483 7.879 10.534 1.00 0.00 C ATOM 1384 CD ARG A 88 11.308 6.567 11.282 1.00 0.00 C ATOM 1385 NE ARG A 88 12.300 6.404 12.341 1.00 0.00 N ATOM 1386 CZ ARG A 88 12.143 5.586 13.376 1.00 0.00 C ATOM 1387 NH1 ARG A 88 11.039 4.861 13.490 1.00 0.00 N ATOM 1388 NH2 ARG A 88 13.091 5.493 14.300 1.00 0.00 N ATOM 0 H ARG A 88 11.742 10.773 9.057 1.00 0.00 H new ATOM 0 HA ARG A 88 13.349 9.980 10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.827 7.337 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.595 7.540 10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.373 8.712 11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.696 7.981 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.308 6.526 11.713 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.387 5.737 10.580 1.00 0.00 H new ATOM 0 HE ARG A 88 13.161 6.948 12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.308 4.931 12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.921 4.234 14.286 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.941 6.050 14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.969 4.865 15.094 1.00 0.00 H new ATOM 1402 N GLY A 89 14.855 10.375 7.943 1.00 0.00 N ATOM 1403 CA GLY A 89 16.108 10.451 7.215 1.00 0.00 C ATOM 1404 C GLY A 89 16.061 9.697 5.901 1.00 0.00 C ATOM 1405 O GLY A 89 17.093 9.468 5.271 1.00 0.00 O ATOM 0 H GLY A 89 14.215 11.151 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.350 11.496 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.909 10.047 7.834 1.00 0.00 H new ATOM 1409 N GLY A 90 14.859 9.308 5.486 1.00 0.00 N ATOM 1410 CA GLY A 90 14.704 8.578 4.241 1.00 0.00 C ATOM 1411 C GLY A 90 14.652 7.078 4.451 1.00 0.00 C ATOM 1412 O GLY A 90 14.148 6.341 3.603 1.00 0.00 O ATOM 0 H GLY A 90 13.990 9.485 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.791 8.904 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.533 8.820 3.576 1.00 0.00 H new ATOM 1416 N THR A 91 15.175 6.622 5.586 1.00 0.00 N ATOM 1417 CA THR A 91 15.188 5.200 5.904 1.00 0.00 C ATOM 1418 C THR A 91 13.789 4.602 5.808 1.00 0.00 C ATOM 1419 O THR A 91 13.631 3.394 5.635 1.00 0.00 O ATOM 1420 CB THR A 91 15.747 4.946 7.317 1.00 0.00 C ATOM 1421 OG1 THR A 91 17.051 5.524 7.439 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.817 3.455 7.611 1.00 0.00 C ATOM 0 H THR A 91 15.595 7.218 6.300 1.00 0.00 H new ATOM 0 HA THR A 91 15.837 4.718 5.172 1.00 0.00 H new ATOM 0 HB THR A 91 15.076 5.411 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.399 5.360 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.215 3.300 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.818 3.024 7.546 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.469 2.971 6.884 1.00 0.00 H new ATOM 1430 N ALA A 92 12.777 5.455 5.920 1.00 0.00 N ATOM 1431 CA ALA A 92 11.391 5.011 5.843 1.00 0.00 C ATOM 1432 C ALA A 92 10.554 5.967 4.999 1.00 0.00 C ATOM 1433 O ALA A 92 10.955 7.104 4.751 1.00 0.00 O ATOM 1434 CB ALA A 92 10.800 4.880 7.239 1.00 0.00 C ATOM 0 H ALA A 92 12.891 6.458 6.064 1.00 0.00 H new ATOM 0 HA ALA A 92 11.375 4.034 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.764 4.548 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.375 4.152 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.836 5.847 7.742 1.00 0.00 H new ATOM 1440 N SER A 93 9.390 5.498 4.561 1.00 0.00 N ATOM 1441 CA SER A 93 8.499 6.310 3.741 1.00 0.00 C ATOM 1442 C SER A 93 7.099 6.361 4.347 1.00 0.00 C ATOM 1443 O SER A 93 6.719 5.492 5.132 1.00 0.00 O ATOM 1444 CB SER A 93 8.431 5.753 2.318 1.00 0.00 C ATOM 1445 OG SER A 93 8.521 4.339 2.319 1.00 0.00 O ATOM 0 H SER A 93 9.042 4.560 4.760 1.00 0.00 H new ATOM 0 HA SER A 93 8.899 7.323 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.497 6.061 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.241 6.172 1.721 1.00 0.00 H new ATOM 0 HG SER A 93 7.915 3.972 1.642 1.00 0.00 H new ATOM 1451 N MET A 94 6.337 7.384 3.976 1.00 0.00 N ATOM 1452 CA MET A 94 4.979 7.548 4.481 1.00 0.00 C ATOM 1453 C MET A 94 4.065 8.126 3.405 1.00 0.00 C ATOM 1454 O MET A 94 4.288 9.234 2.917 1.00 0.00 O ATOM 1455 CB MET A 94 4.976 8.458 5.711 1.00 0.00 C ATOM 1456 CG MET A 94 3.801 8.216 6.644 1.00 0.00 C ATOM 1457 SD MET A 94 3.354 9.682 7.594 1.00 0.00 S ATOM 1458 CE MET A 94 2.441 10.615 6.368 1.00 0.00 C ATOM 0 H MET A 94 6.637 8.112 3.327 1.00 0.00 H new ATOM 0 HA MET A 94 4.602 6.565 4.764 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.904 8.311 6.263 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.961 9.498 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.940 7.890 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.047 7.405 7.329 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.007 11.500 6.833 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.114 10.919 5.567 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.645 9.994 5.957 1.00 0.00 H new ATOM 1468 N CYS A 95 3.036 7.368 3.041 1.00 0.00 N ATOM 1469 CA CYS A 95 2.089 7.805 2.021 1.00 0.00 C ATOM 1470 C CYS A 95 0.667 7.395 2.390 1.00 0.00 C ATOM 1471 O CYS A 95 0.452 6.367 3.033 1.00 0.00 O ATOM 1472 CB CYS A 95 2.465 7.217 0.660 1.00 0.00 C ATOM 1473 SG CYS A 95 1.104 7.180 -0.530 1.00 0.00 S ATOM 0 H CYS A 95 2.836 6.449 3.436 1.00 0.00 H new ATOM 0 HA CYS A 95 2.132 8.893 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.285 7.798 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.835 6.202 0.804 1.00 0.00 H new ATOM 0 HG CYS A 95 1.583 7.068 -1.733 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.303 8.207 1.980 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.705 7.930 2.268 1.00 0.00 C ATOM 1481 C VAL A 96 -2.458 7.537 1.002 1.00 0.00 C ATOM 1482 O VAL A 96 -2.100 7.952 -0.101 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.398 9.147 2.907 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.782 8.770 3.413 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.546 9.714 4.033 1.00 0.00 C ATOM 0 H VAL A 96 -0.143 9.062 1.447 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.725 7.099 2.973 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.514 9.918 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.256 9.643 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.389 8.415 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.694 7.981 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.051 10.574 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.397 8.950 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.579 10.025 3.637 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.505 6.735 1.167 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.309 6.285 0.037 1.00 0.00 C ATOM 1497 C PHE A 97 -5.740 6.804 0.148 1.00 0.00 C ATOM 1498 O PHE A 97 -6.291 6.909 1.244 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.314 4.757 -0.037 1.00 0.00 C ATOM 1500 CG PHE A 97 -3.003 4.174 -0.481 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.958 4.020 0.416 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.815 3.780 -1.796 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.751 3.485 0.010 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.609 3.244 -2.208 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.576 3.096 -1.304 1.00 0.00 C ATOM 0 H PHE A 97 -3.816 6.384 2.073 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.865 6.684 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.568 4.355 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.096 4.437 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.089 4.322 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.620 3.893 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.055 3.371 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.475 2.941 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.367 2.677 -1.623 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.335 7.129 -0.995 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.701 7.639 -1.028 1.00 0.00 C ATOM 1517 C ARG A 98 -8.498 6.985 -2.153 1.00 0.00 C ATOM 1518 O ARG A 98 -7.930 6.367 -3.053 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.696 9.158 -1.208 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.060 9.615 -2.510 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.052 11.132 -2.624 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.396 11.694 -2.533 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.662 12.988 -2.671 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.681 13.849 -2.906 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -9.912 13.424 -2.576 1.00 0.00 N ATOM 0 H ARG A 98 -5.893 7.048 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.177 7.394 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.722 9.524 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.162 9.612 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.038 9.239 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.605 9.189 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.429 11.552 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.601 11.422 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.173 11.058 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.719 13.518 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.888 14.842 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.670 12.765 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.115 14.418 -2.682 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.819 7.126 -2.093 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.695 6.549 -3.107 1.00 0.00 C ATOM 1541 C HIS A 99 -10.760 7.443 -4.342 1.00 0.00 C ATOM 1542 O HIS A 99 -10.651 8.666 -4.242 1.00 0.00 O ATOM 1543 CB HIS A 99 -12.100 6.342 -2.539 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.959 5.447 -3.378 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.692 5.901 -4.454 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.199 4.118 -3.294 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.347 4.889 -4.995 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.064 3.795 -4.310 1.00 0.00 N ATOM 0 H HIS A 99 -10.305 7.634 -1.354 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.283 5.583 -3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.019 5.920 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.589 7.311 -2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.787 3.438 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -15.002 4.946 -5.852 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.429 2.863 -4.504 1.00 0.00 H new