USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 834 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 58 SER OG : rot 143:sc= -7.66! USER MOD Set 1.2: A 91 HIS : no HE2:sc= -3.17! C(o=-11!,f=-13!) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -3.09 K(o=-4.8,f=-4) USER MOD Set 2.2: A 99 MET CE :methyl 146:sc= -1.66 (180deg=-3.08!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 36 GLN : amide:sc= 0.00193 K(o=0.0019,f=-1.7!) USER MOD Set 4.1: A 29 CYS SG : rot 180:sc= 0.513 USER MOD Set 4.2: A 33 THR OG1 : rot 155:sc= 0.328 USER MOD Set 5.1: A 24 GLN : amide:sc= -3.62! K(o=-6.8!,f=0.84) USER MOD Set 5.2: A 109 LYS NZ :NH3+ -175:sc= -3.23! (180deg=-0.645) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.08! K(o=-1.1!,f=-0.38) USER MOD Single : A 32 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -5.23! USER MOD Single : A 42 SER OG : rot -51:sc= 0.91 USER MOD Single : A 51 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -126:sc= -0.277 (180deg=-0.995) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -1.86! (180deg=-2.78!) USER MOD Single : A 65 MET CE :methyl -173:sc= -3.71! (180deg=-4.17!) USER MOD Single : A 70 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.35) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-1.9!) USER MOD Single : A 76 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -124:sc= -1.72 (180deg=-8.08!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -41:sc= 0.692 USER MOD Single : A 97 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.879 11.339 7.459 1.00 0.00 N ATOM 143 CA THR A 13 -4.153 10.082 7.524 1.00 0.00 C ATOM 144 C THR A 13 -2.676 10.335 7.832 1.00 0.00 C ATOM 145 O THR A 13 -2.072 11.255 7.283 1.00 0.00 O ATOM 146 CB THR A 13 -4.380 9.337 6.207 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.683 8.776 6.346 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.464 8.120 6.058 1.00 0.00 C ATOM 0 HA THR A 13 -4.519 9.455 8.337 1.00 0.00 H new ATOM 0 HB THR A 13 -4.218 10.018 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.912 8.276 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.666 7.627 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.423 8.442 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.650 7.422 6.875 1.00 0.00 H new ATOM 156 N LEU A 14 -2.137 9.502 8.710 1.00 0.00 N ATOM 157 CA LEU A 14 -0.742 9.624 9.098 1.00 0.00 C ATOM 158 C LEU A 14 0.072 8.527 8.409 1.00 0.00 C ATOM 159 O LEU A 14 -0.476 7.501 8.008 1.00 0.00 O ATOM 160 CB LEU A 14 -0.607 9.624 10.622 1.00 0.00 C ATOM 161 CG LEU A 14 -1.324 10.758 11.359 1.00 0.00 C ATOM 162 CD1 LEU A 14 -1.898 10.270 12.690 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.400 11.964 11.540 1.00 0.00 C ATOM 0 H LEU A 14 -2.641 8.740 9.164 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.337 10.580 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.986 8.675 11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.453 9.667 10.873 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.165 11.086 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.402 11.095 13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.612 9.467 12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.090 9.900 13.321 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.934 12.755 12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.475 11.669 12.120 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.082 12.328 10.563 1.00 0.00 H new ATOM 175 N ILE A 15 1.368 8.780 8.293 1.00 0.00 N ATOM 176 CA ILE A 15 2.263 7.826 7.660 1.00 0.00 C ATOM 177 C ILE A 15 2.237 6.512 8.442 1.00 0.00 C ATOM 178 O ILE A 15 1.930 5.459 7.884 1.00 0.00 O ATOM 179 CB ILE A 15 3.663 8.425 7.508 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.573 7.494 6.705 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.261 8.773 8.873 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.877 8.197 6.323 1.00 0.00 C ATOM 0 H ILE A 15 1.819 9.632 8.627 1.00 0.00 H new ATOM 0 HA ILE A 15 1.926 7.601 6.648 1.00 0.00 H new ATOM 0 HB ILE A 15 3.578 9.355 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.795 6.602 7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.057 7.163 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.256 9.197 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.623 9.500 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.331 7.871 9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.506 7.513 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.653 9.075 5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.403 8.505 7.227 1.00 0.00 H new ATOM 194 N GLU A 16 2.564 6.615 9.722 1.00 0.00 N ATOM 195 CA GLU A 16 2.582 5.448 10.587 1.00 0.00 C ATOM 196 C GLU A 16 1.193 4.807 10.643 1.00 0.00 C ATOM 197 O GLU A 16 1.047 3.673 11.095 1.00 0.00 O ATOM 198 CB GLU A 16 3.076 5.811 11.988 1.00 0.00 C ATOM 199 CG GLU A 16 4.566 6.157 11.972 1.00 0.00 C ATOM 200 CD GLU A 16 5.142 6.168 13.390 1.00 0.00 C ATOM 201 OE1 GLU A 16 5.526 5.074 13.855 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.185 7.272 13.976 1.00 0.00 O ATOM 0 H GLU A 16 2.819 7.490 10.181 1.00 0.00 H new ATOM 0 HA GLU A 16 3.279 4.721 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.506 6.658 12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.900 4.977 12.667 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.105 5.432 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.711 7.133 11.509 1.00 0.00 H new ATOM 209 N ASP A 17 0.209 5.563 10.179 1.00 0.00 N ATOM 210 CA ASP A 17 -1.163 5.084 10.171 1.00 0.00 C ATOM 211 C ASP A 17 -1.370 4.165 8.966 1.00 0.00 C ATOM 212 O ASP A 17 -2.098 3.177 9.052 1.00 0.00 O ATOM 213 CB ASP A 17 -2.152 6.245 10.056 1.00 0.00 C ATOM 214 CG ASP A 17 -3.033 6.468 11.286 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.665 5.932 12.353 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.056 7.171 11.132 1.00 0.00 O ATOM 0 H ASP A 17 0.334 6.504 9.806 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.340 4.552 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.594 7.160 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.795 6.070 9.194 1.00 0.00 H new ATOM 221 N VAL A 18 -0.718 4.523 7.870 1.00 0.00 N ATOM 222 CA VAL A 18 -0.822 3.743 6.648 1.00 0.00 C ATOM 223 C VAL A 18 0.261 2.662 6.645 1.00 0.00 C ATOM 224 O VAL A 18 0.199 1.719 5.858 1.00 0.00 O ATOM 225 CB VAL A 18 -0.749 4.666 5.430 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.864 3.868 4.130 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.823 5.754 5.502 1.00 0.00 C ATOM 0 H VAL A 18 -0.115 5.343 7.802 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.786 3.238 6.598 1.00 0.00 H new ATOM 0 HB VAL A 18 0.225 5.155 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.809 4.548 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.048 3.148 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.817 3.339 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.749 6.397 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.809 5.290 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.676 6.351 6.402 1.00 0.00 H new ATOM 237 N LEU A 19 1.229 2.836 7.533 1.00 0.00 N ATOM 238 CA LEU A 19 2.324 1.887 7.642 1.00 0.00 C ATOM 239 C LEU A 19 1.962 0.813 8.670 1.00 0.00 C ATOM 240 O LEU A 19 2.199 -0.372 8.444 1.00 0.00 O ATOM 241 CB LEU A 19 3.635 2.615 7.948 1.00 0.00 C ATOM 242 CG LEU A 19 4.374 3.200 6.743 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.350 2.182 6.151 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.388 3.725 5.697 1.00 0.00 C ATOM 0 H LEU A 19 1.278 3.620 8.184 1.00 0.00 H new ATOM 0 HA LEU A 19 2.483 1.378 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.424 3.424 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.303 1.920 8.457 1.00 0.00 H new ATOM 0 HG LEU A 19 4.964 4.050 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.862 2.623 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.083 1.899 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.801 1.297 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.939 4.135 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.752 2.909 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.769 4.505 6.140 1.00 0.00 H new ATOM 256 N ARG A 20 1.395 1.267 9.778 1.00 0.00 N ATOM 257 CA ARG A 20 0.998 0.360 10.841 1.00 0.00 C ATOM 258 C ARG A 20 0.405 -0.921 10.252 1.00 0.00 C ATOM 259 O ARG A 20 0.828 -2.022 10.600 1.00 0.00 O ATOM 260 CB ARG A 20 -0.031 1.012 11.767 1.00 0.00 C ATOM 261 CG ARG A 20 0.517 1.145 13.189 1.00 0.00 C ATOM 262 CD ARG A 20 1.438 2.360 13.311 1.00 0.00 C ATOM 263 NE ARG A 20 2.165 2.317 14.600 1.00 0.00 N ATOM 264 CZ ARG A 20 3.218 1.525 14.842 1.00 0.00 C ATOM 265 NH1 ARG A 20 3.673 0.705 13.886 1.00 0.00 N ATOM 266 NH2 ARG A 20 3.815 1.553 16.041 1.00 0.00 N ATOM 0 H ARG A 20 1.201 2.251 9.963 1.00 0.00 H new ATOM 0 HA ARG A 20 1.889 0.119 11.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.299 1.996 11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.943 0.416 11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.309 1.239 13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.064 0.241 13.458 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.148 2.373 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.854 3.278 13.244 1.00 0.00 H new ATOM 0 HE ARG A 20 1.844 2.929 15.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.218 0.683 12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.475 0.102 14.070 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.468 2.177 16.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.617 0.950 16.226 1.00 0.00 H new ATOM 280 N PRO A 21 -0.592 -0.729 9.347 1.00 0.00 N ATOM 281 CA PRO A 21 -1.248 -1.857 8.707 1.00 0.00 C ATOM 282 C PRO A 21 -0.349 -2.478 7.636 1.00 0.00 C ATOM 283 O PRO A 21 -0.039 -3.667 7.695 1.00 0.00 O ATOM 284 CB PRO A 21 -2.540 -1.290 8.141 1.00 0.00 C ATOM 285 CG PRO A 21 -2.344 0.216 8.079 1.00 0.00 C ATOM 286 CD PRO A 21 -1.119 0.560 8.912 1.00 0.00 C ATOM 0 HA PRO A 21 -1.455 -2.672 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.745 -1.698 7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.389 -1.547 8.774 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.208 0.541 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.224 0.732 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.384 1.111 8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.383 1.188 9.763 1.00 0.00 H new ATOM 294 N LEU A 22 0.044 -1.646 6.683 1.00 0.00 N ATOM 295 CA LEU A 22 0.901 -2.099 5.601 1.00 0.00 C ATOM 296 C LEU A 22 2.022 -2.970 6.174 1.00 0.00 C ATOM 297 O LEU A 22 2.466 -3.920 5.531 1.00 0.00 O ATOM 298 CB LEU A 22 1.405 -0.909 4.782 1.00 0.00 C ATOM 299 CG LEU A 22 0.576 -0.545 3.549 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.052 0.774 2.938 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.582 -1.684 2.528 1.00 0.00 C ATOM 0 H LEU A 22 -0.215 -0.661 6.638 1.00 0.00 H new ATOM 0 HA LEU A 22 0.338 -2.720 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.451 -0.037 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.425 -1.120 4.460 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.457 -0.400 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.446 1.009 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.953 1.572 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.097 0.681 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.015 -1.399 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.606 -1.885 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.159 -2.581 2.981 1.00 0.00 H new ATOM 313 N GLU A 23 2.447 -2.614 7.377 1.00 0.00 N ATOM 314 CA GLU A 23 3.507 -3.351 8.044 1.00 0.00 C ATOM 315 C GLU A 23 2.954 -4.640 8.656 1.00 0.00 C ATOM 316 O GLU A 23 3.596 -5.687 8.590 1.00 0.00 O ATOM 317 CB GLU A 23 4.189 -2.488 9.108 1.00 0.00 C ATOM 318 CG GLU A 23 5.347 -1.689 8.507 1.00 0.00 C ATOM 319 CD GLU A 23 6.392 -1.351 9.572 1.00 0.00 C ATOM 320 OE1 GLU A 23 5.978 -0.819 10.625 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.581 -1.633 9.310 1.00 0.00 O ATOM 0 H GLU A 23 2.077 -1.825 7.907 1.00 0.00 H new ATOM 0 HA GLU A 23 4.260 -3.618 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.462 -1.806 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.560 -3.122 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.812 -2.263 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.967 -0.770 8.061 1.00 0.00 H new ATOM 328 N GLN A 24 1.770 -4.521 9.236 1.00 0.00 N ATOM 329 CA GLN A 24 1.123 -5.664 9.859 1.00 0.00 C ATOM 330 C GLN A 24 1.125 -6.859 8.904 1.00 0.00 C ATOM 331 O GLN A 24 1.037 -8.006 9.340 1.00 0.00 O ATOM 332 CB GLN A 24 -0.300 -5.316 10.300 1.00 0.00 C ATOM 333 CG GLN A 24 -1.281 -5.436 9.131 1.00 0.00 C ATOM 334 CD GLN A 24 -2.337 -6.508 9.409 1.00 0.00 C ATOM 335 OE1 GLN A 24 -3.484 -6.222 9.711 1.00 0.00 O ATOM 336 NE2 GLN A 24 -1.887 -7.754 9.291 1.00 0.00 N ATOM 0 H GLN A 24 1.241 -3.651 9.288 1.00 0.00 H new ATOM 0 HA GLN A 24 1.687 -5.935 10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.607 -5.981 11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.324 -4.301 10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.768 -4.476 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.737 -5.684 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.914 -7.923 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.515 -8.541 9.457 1.00 0.00 H new ATOM 345 N ALA A 25 1.226 -6.551 7.620 1.00 0.00 N ATOM 346 CA ALA A 25 1.240 -7.585 6.600 1.00 0.00 C ATOM 347 C ALA A 25 2.630 -8.225 6.548 1.00 0.00 C ATOM 348 O ALA A 25 2.762 -9.442 6.668 1.00 0.00 O ATOM 349 CB ALA A 25 0.824 -6.984 5.256 1.00 0.00 C ATOM 0 H ALA A 25 1.299 -5.599 7.262 1.00 0.00 H new ATOM 0 HA ALA A 25 0.524 -8.371 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.835 -7.761 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.181 -6.570 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.521 -6.193 4.980 1.00 0.00 H new ATOM 355 N LEU A 26 3.630 -7.375 6.368 1.00 0.00 N ATOM 356 CA LEU A 26 5.004 -7.842 6.298 1.00 0.00 C ATOM 357 C LEU A 26 5.248 -8.865 7.409 1.00 0.00 C ATOM 358 O LEU A 26 5.625 -10.004 7.137 1.00 0.00 O ATOM 359 CB LEU A 26 5.974 -6.658 6.328 1.00 0.00 C ATOM 360 CG LEU A 26 7.424 -6.970 5.952 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.494 -7.746 4.635 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.266 -5.693 5.910 1.00 0.00 C ATOM 0 H LEU A 26 3.516 -6.366 6.269 1.00 0.00 H new ATOM 0 HA LEU A 26 5.186 -8.350 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.601 -5.891 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.963 -6.230 7.330 1.00 0.00 H new ATOM 0 HG LEU A 26 7.848 -7.610 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.536 -7.955 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.950 -8.685 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.047 -7.152 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.292 -5.943 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.852 -5.009 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.254 -5.217 6.890 1.00 0.00 H new ATOM 374 N GLU A 27 5.023 -8.422 8.637 1.00 0.00 N ATOM 375 CA GLU A 27 5.214 -9.286 9.790 1.00 0.00 C ATOM 376 C GLU A 27 4.514 -10.628 9.569 1.00 0.00 C ATOM 377 O GLU A 27 5.114 -11.684 9.764 1.00 0.00 O ATOM 378 CB GLU A 27 4.714 -8.611 11.069 1.00 0.00 C ATOM 379 CG GLU A 27 5.644 -7.470 11.487 1.00 0.00 C ATOM 380 CD GLU A 27 6.059 -7.610 12.953 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.141 -7.701 13.796 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.285 -7.624 13.197 1.00 0.00 O ATOM 0 H GLU A 27 4.710 -7.477 8.859 1.00 0.00 H new ATOM 0 HA GLU A 27 6.282 -9.471 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.707 -8.225 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.651 -9.346 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.531 -7.468 10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.143 -6.514 11.337 1.00 0.00 H new ATOM 389 N ASP A 28 3.255 -10.544 9.166 1.00 0.00 N ATOM 390 CA ASP A 28 2.467 -11.739 8.916 1.00 0.00 C ATOM 391 C ASP A 28 3.135 -12.564 7.814 1.00 0.00 C ATOM 392 O ASP A 28 3.103 -13.794 7.848 1.00 0.00 O ATOM 393 CB ASP A 28 1.056 -11.381 8.448 1.00 0.00 C ATOM 394 CG ASP A 28 -0.071 -11.863 9.364 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.127 -13.090 9.597 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.851 -10.994 9.811 1.00 0.00 O ATOM 0 H ASP A 28 2.761 -9.666 9.006 1.00 0.00 H new ATOM 0 HA ASP A 28 2.406 -12.303 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.986 -10.298 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.901 -11.802 7.454 1.00 0.00 H new ATOM 401 N CYS A 29 3.725 -11.855 6.863 1.00 0.00 N ATOM 402 CA CYS A 29 4.400 -12.506 5.753 1.00 0.00 C ATOM 403 C CYS A 29 5.732 -13.063 6.261 1.00 0.00 C ATOM 404 O CYS A 29 6.243 -14.044 5.724 1.00 0.00 O ATOM 405 CB CYS A 29 4.593 -11.554 4.571 1.00 0.00 C ATOM 406 SG CYS A 29 3.011 -11.339 3.677 1.00 0.00 S ATOM 0 H CYS A 29 3.750 -10.836 6.838 1.00 0.00 H new ATOM 0 HA CYS A 29 3.784 -13.324 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.954 -10.589 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.352 -11.949 3.895 1.00 0.00 H new ATOM 0 HG CYS A 29 3.185 -10.527 2.676 1.00 0.00 H new ATOM 412 N HIS A 30 6.255 -12.412 7.289 1.00 0.00 N ATOM 413 CA HIS A 30 7.518 -12.830 7.875 1.00 0.00 C ATOM 414 C HIS A 30 7.342 -14.187 8.559 1.00 0.00 C ATOM 415 O HIS A 30 8.321 -14.817 8.956 1.00 0.00 O ATOM 416 CB HIS A 30 8.060 -11.756 8.820 1.00 0.00 C ATOM 417 CG HIS A 30 8.491 -12.284 10.167 1.00 0.00 C ATOM 418 ND1 HIS A 30 9.810 -12.285 10.586 1.00 0.00 N ATOM 419 CD2 HIS A 30 7.764 -12.827 11.186 1.00 0.00 C ATOM 420 CE1 HIS A 30 9.863 -12.808 11.802 1.00 0.00 C ATOM 421 NE2 HIS A 30 8.594 -13.144 12.172 1.00 0.00 N ATOM 0 H HIS A 30 5.828 -11.598 7.732 1.00 0.00 H new ATOM 0 HA HIS A 30 8.265 -12.952 7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.909 -11.264 8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.293 -10.996 8.968 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.694 -12.974 11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.755 -12.944 12.396 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.327 -13.569 13.060 1.00 0.00 H new ATOM 429 N GLY A 31 6.088 -14.598 8.674 1.00 0.00 N ATOM 430 CA GLY A 31 5.771 -15.869 9.303 1.00 0.00 C ATOM 431 C GLY A 31 4.889 -16.726 8.393 1.00 0.00 C ATOM 432 O GLY A 31 4.086 -17.524 8.874 1.00 0.00 O ATOM 0 H GLY A 31 5.279 -14.073 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.692 -16.405 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.260 -15.693 10.250 1.00 0.00 H new ATOM 436 N HIS A 32 5.068 -16.532 7.095 1.00 0.00 N ATOM 437 CA HIS A 32 4.298 -17.277 6.114 1.00 0.00 C ATOM 438 C HIS A 32 4.989 -17.196 4.751 1.00 0.00 C ATOM 439 O HIS A 32 5.115 -18.201 4.054 1.00 0.00 O ATOM 440 CB HIS A 32 2.849 -16.788 6.074 1.00 0.00 C ATOM 441 CG HIS A 32 1.993 -17.313 7.202 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.675 -18.652 7.341 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.394 -16.665 8.242 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.917 -18.793 8.418 1.00 0.00 C ATOM 445 NE2 HIS A 32 0.744 -17.560 8.975 1.00 0.00 N ATOM 0 H HIS A 32 5.735 -15.869 6.700 1.00 0.00 H new ATOM 0 HA HIS A 32 4.257 -18.328 6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.843 -15.698 6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.402 -17.084 5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.441 -15.604 8.436 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.508 -19.721 8.790 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.204 -17.359 9.817 1.00 0.00 H new ATOM 453 N THR A 33 5.418 -15.989 4.412 1.00 0.00 N ATOM 454 CA THR A 33 6.092 -15.763 3.144 1.00 0.00 C ATOM 455 C THR A 33 7.592 -16.033 3.283 1.00 0.00 C ATOM 456 O THR A 33 8.168 -15.822 4.349 1.00 0.00 O ATOM 457 CB THR A 33 5.771 -14.340 2.685 1.00 0.00 C ATOM 458 OG1 THR A 33 4.350 -14.262 2.763 1.00 0.00 O ATOM 459 CG2 THR A 33 6.075 -14.120 1.202 1.00 0.00 C ATOM 0 H THR A 33 5.312 -15.157 4.993 1.00 0.00 H new ATOM 0 HA THR A 33 5.738 -16.454 2.379 1.00 0.00 H new ATOM 0 HB THR A 33 6.342 -13.629 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.080 -13.328 2.884 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.829 -13.094 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.134 -14.301 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.479 -14.808 0.602 1.00 0.00 H new ATOM 467 N LYS A 34 8.181 -16.496 2.190 1.00 0.00 N ATOM 468 CA LYS A 34 9.602 -16.797 2.176 1.00 0.00 C ATOM 469 C LYS A 34 10.380 -15.588 2.699 1.00 0.00 C ATOM 470 O LYS A 34 9.786 -14.579 3.077 1.00 0.00 O ATOM 471 CB LYS A 34 10.039 -17.253 0.783 1.00 0.00 C ATOM 472 CG LYS A 34 9.152 -18.392 0.275 1.00 0.00 C ATOM 473 CD LYS A 34 9.992 -19.501 -0.361 1.00 0.00 C ATOM 474 CE LYS A 34 10.767 -18.976 -1.571 1.00 0.00 C ATOM 475 NZ LYS A 34 12.171 -19.442 -1.530 1.00 0.00 N ATOM 0 H LYS A 34 7.700 -16.670 1.308 1.00 0.00 H new ATOM 0 HA LYS A 34 9.821 -17.631 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.991 -16.413 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.078 -17.582 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.570 -18.800 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.441 -18.006 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.688 -19.902 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.344 -20.322 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.291 -19.317 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.740 -17.886 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.682 -19.076 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.626 -19.096 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.192 -20.482 -1.541 1.00 0.00 H new ATOM 489 N LYS A 35 11.698 -15.729 2.705 1.00 0.00 N ATOM 490 CA LYS A 35 12.563 -14.661 3.175 1.00 0.00 C ATOM 491 C LYS A 35 12.788 -13.657 2.043 1.00 0.00 C ATOM 492 O LYS A 35 12.365 -12.506 2.136 1.00 0.00 O ATOM 493 CB LYS A 35 13.857 -15.236 3.754 1.00 0.00 C ATOM 494 CG LYS A 35 14.692 -14.142 4.423 1.00 0.00 C ATOM 495 CD LYS A 35 14.190 -13.859 5.841 1.00 0.00 C ATOM 496 CE LYS A 35 14.689 -14.923 6.821 1.00 0.00 C ATOM 497 NZ LYS A 35 13.548 -15.589 7.487 1.00 0.00 N ATOM 0 H LYS A 35 12.187 -16.567 2.392 1.00 0.00 H new ATOM 0 HA LYS A 35 12.089 -14.118 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.621 -16.013 4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.437 -15.707 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.738 -14.448 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.646 -13.230 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.531 -12.875 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.100 -13.836 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.290 -15.662 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.336 -14.463 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.904 -16.308 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.991 -14.883 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.946 -16.045 6.772 1.00 0.00 H new ATOM 511 N GLN A 36 13.455 -14.129 1.000 1.00 0.00 N ATOM 512 CA GLN A 36 13.742 -13.287 -0.149 1.00 0.00 C ATOM 513 C GLN A 36 12.557 -12.363 -0.438 1.00 0.00 C ATOM 514 O GLN A 36 12.724 -11.149 -0.545 1.00 0.00 O ATOM 515 CB GLN A 36 14.091 -14.133 -1.375 1.00 0.00 C ATOM 516 CG GLN A 36 15.412 -14.876 -1.171 1.00 0.00 C ATOM 517 CD GLN A 36 15.196 -16.391 -1.173 1.00 0.00 C ATOM 518 OE1 GLN A 36 14.345 -16.923 -0.479 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.011 -17.052 -1.989 1.00 0.00 N ATOM 0 H GLN A 36 13.805 -15.084 0.927 1.00 0.00 H new ATOM 0 HA GLN A 36 14.610 -12.670 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.292 -14.850 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.162 -13.493 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.112 -14.604 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.863 -14.571 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.701 -16.544 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.946 -18.067 -2.062 1.00 0.00 H new ATOM 528 N VAL A 37 11.387 -12.974 -0.558 1.00 0.00 N ATOM 529 CA VAL A 37 10.175 -12.221 -0.834 1.00 0.00 C ATOM 530 C VAL A 37 10.108 -11.011 0.100 1.00 0.00 C ATOM 531 O VAL A 37 10.129 -9.869 -0.357 1.00 0.00 O ATOM 532 CB VAL A 37 8.954 -13.135 -0.716 1.00 0.00 C ATOM 533 CG1 VAL A 37 9.005 -13.955 0.575 1.00 0.00 C ATOM 534 CG2 VAL A 37 7.656 -12.329 -0.803 1.00 0.00 C ATOM 0 H VAL A 37 11.253 -13.981 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 37 10.184 -11.843 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 37 8.974 -13.831 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.125 -14.596 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.904 -14.571 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.022 -13.283 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.803 -13.002 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.626 -11.599 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.613 -11.811 -1.761 1.00 0.00 H new ATOM 544 N CYS A 38 10.030 -11.302 1.390 1.00 0.00 N ATOM 545 CA CYS A 38 9.960 -10.252 2.391 1.00 0.00 C ATOM 546 C CYS A 38 10.978 -9.170 2.025 1.00 0.00 C ATOM 547 O CYS A 38 10.606 -8.033 1.739 1.00 0.00 O ATOM 548 CB CYS A 38 10.191 -10.798 3.802 1.00 0.00 C ATOM 549 SG CYS A 38 10.020 -9.453 5.030 1.00 0.00 S ATOM 0 H CYS A 38 10.014 -12.250 1.765 1.00 0.00 H new ATOM 0 HA CYS A 38 8.959 -9.821 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.474 -11.590 4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.185 -11.241 3.871 1.00 0.00 H new ATOM 0 HG CYS A 38 10.216 -9.928 6.224 1.00 0.00 H new ATOM 555 N ASP A 39 12.244 -9.562 2.045 1.00 0.00 N ATOM 556 CA ASP A 39 13.318 -8.640 1.719 1.00 0.00 C ATOM 557 C ASP A 39 12.889 -7.759 0.544 1.00 0.00 C ATOM 558 O ASP A 39 13.248 -6.585 0.480 1.00 0.00 O ATOM 559 CB ASP A 39 14.584 -9.394 1.307 1.00 0.00 C ATOM 560 CG ASP A 39 15.873 -8.571 1.362 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.965 -7.608 0.570 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.737 -8.923 2.194 1.00 0.00 O ATOM 0 H ASP A 39 12.549 -10.506 2.282 1.00 0.00 H new ATOM 0 HA ASP A 39 13.527 -8.039 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.698 -10.264 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.452 -9.768 0.292 1.00 0.00 H new ATOM 567 N ASP A 40 12.127 -8.361 -0.358 1.00 0.00 N ATOM 568 CA ASP A 40 11.645 -7.646 -1.528 1.00 0.00 C ATOM 569 C ASP A 40 10.542 -6.673 -1.107 1.00 0.00 C ATOM 570 O ASP A 40 10.711 -5.458 -1.205 1.00 0.00 O ATOM 571 CB ASP A 40 11.056 -8.611 -2.559 1.00 0.00 C ATOM 572 CG ASP A 40 11.102 -8.117 -4.006 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.226 -7.828 -4.471 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.013 -8.041 -4.615 1.00 0.00 O ATOM 0 H ASP A 40 11.832 -9.336 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 40 12.488 -7.116 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.593 -9.558 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.019 -8.815 -2.293 1.00 0.00 H new ATOM 579 N ILE A 41 9.438 -7.242 -0.647 1.00 0.00 N ATOM 580 CA ILE A 41 8.308 -6.440 -0.211 1.00 0.00 C ATOM 581 C ILE A 41 8.805 -5.327 0.714 1.00 0.00 C ATOM 582 O ILE A 41 8.633 -4.145 0.418 1.00 0.00 O ATOM 583 CB ILE A 41 7.232 -7.327 0.419 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.657 -8.304 -0.609 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.141 -6.482 1.079 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.672 -9.274 0.047 1.00 0.00 C ATOM 0 H ILE A 41 9.302 -8.250 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 41 7.832 -5.958 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 41 7.697 -7.922 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.154 -7.749 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.467 -8.864 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.389 -7.137 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.583 -5.862 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.672 -5.844 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.278 -9.957 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.184 -9.844 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.851 -8.713 0.493 1.00 0.00 H new ATOM 598 N SER A 42 9.412 -5.743 1.816 1.00 0.00 N ATOM 599 CA SER A 42 9.935 -4.796 2.786 1.00 0.00 C ATOM 600 C SER A 42 10.731 -3.702 2.072 1.00 0.00 C ATOM 601 O SER A 42 10.446 -2.516 2.232 1.00 0.00 O ATOM 602 CB SER A 42 10.812 -5.499 3.824 1.00 0.00 C ATOM 603 OG SER A 42 11.862 -6.247 3.218 1.00 0.00 O ATOM 0 H SER A 42 9.553 -6.724 2.059 1.00 0.00 H new ATOM 0 HA SER A 42 9.093 -4.342 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.238 -4.758 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.195 -6.164 4.429 1.00 0.00 H new ATOM 0 HG SER A 42 11.489 -6.833 2.527 1.00 0.00 H new ATOM 609 N ARG A 43 11.714 -4.139 1.298 1.00 0.00 N ATOM 610 CA ARG A 43 12.554 -3.212 0.559 1.00 0.00 C ATOM 611 C ARG A 43 11.705 -2.086 -0.037 1.00 0.00 C ATOM 612 O ARG A 43 12.136 -0.935 -0.080 1.00 0.00 O ATOM 613 CB ARG A 43 13.304 -3.926 -0.567 1.00 0.00 C ATOM 614 CG ARG A 43 14.744 -4.238 -0.155 1.00 0.00 C ATOM 615 CD ARG A 43 15.743 -3.486 -1.037 1.00 0.00 C ATOM 616 NE ARG A 43 15.842 -2.076 -0.601 1.00 0.00 N ATOM 617 CZ ARG A 43 16.574 -1.145 -1.228 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.275 -1.470 -2.323 1.00 0.00 N ATOM 619 NH2 ARG A 43 16.606 0.110 -0.761 1.00 0.00 N ATOM 0 H ARG A 43 11.947 -5.123 1.167 1.00 0.00 H new ATOM 0 HA ARG A 43 13.280 -2.794 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.787 -4.851 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.305 -3.302 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.895 -3.962 0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.923 -5.311 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.722 -3.962 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.427 -3.532 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 43 15.320 -1.795 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.251 -2.426 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.832 -0.762 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.073 0.358 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.163 0.818 -1.239 1.00 0.00 H new ATOM 633 N ARG A 44 10.513 -2.459 -0.481 1.00 0.00 N ATOM 634 CA ARG A 44 9.600 -1.495 -1.072 1.00 0.00 C ATOM 635 C ARG A 44 9.024 -0.578 0.009 1.00 0.00 C ATOM 636 O ARG A 44 9.022 0.642 -0.143 1.00 0.00 O ATOM 637 CB ARG A 44 8.453 -2.198 -1.800 1.00 0.00 C ATOM 638 CG ARG A 44 8.985 -3.254 -2.771 1.00 0.00 C ATOM 639 CD ARG A 44 9.447 -2.612 -4.080 1.00 0.00 C ATOM 640 NE ARG A 44 10.462 -3.468 -4.734 1.00 0.00 N ATOM 641 CZ ARG A 44 11.769 -3.443 -4.439 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.228 -2.605 -3.500 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.616 -4.256 -5.084 1.00 0.00 N ATOM 0 H ARG A 44 10.159 -3.415 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 44 10.163 -0.903 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.790 -2.668 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.859 -1.464 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.816 -3.790 -2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.207 -3.989 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.595 -2.471 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.865 -1.625 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 44 10.147 -4.118 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.583 -1.986 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.223 -2.586 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.266 -4.894 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.611 -4.237 -4.860 1.00 0.00 H new ATOM 657 N LEU A 45 8.548 -1.202 1.077 1.00 0.00 N ATOM 658 CA LEU A 45 7.970 -0.458 2.183 1.00 0.00 C ATOM 659 C LEU A 45 8.942 0.642 2.615 1.00 0.00 C ATOM 660 O LEU A 45 8.568 1.811 2.690 1.00 0.00 O ATOM 661 CB LEU A 45 7.569 -1.405 3.315 1.00 0.00 C ATOM 662 CG LEU A 45 6.676 -2.583 2.920 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.034 -3.222 4.153 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.633 -2.158 1.885 1.00 0.00 C ATOM 0 H LEU A 45 8.551 -2.215 1.200 1.00 0.00 H new ATOM 0 HA LEU A 45 7.049 0.035 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.477 -1.800 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.054 -0.826 4.081 1.00 0.00 H new ATOM 0 HG LEU A 45 7.301 -3.344 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.404 -4.057 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.814 -3.584 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.426 -2.481 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.012 -3.014 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.007 -1.370 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.136 -1.787 0.992 1.00 0.00 H new ATOM 676 N ALA A 46 10.170 0.227 2.889 1.00 0.00 N ATOM 677 CA ALA A 46 11.198 1.162 3.313 1.00 0.00 C ATOM 678 C ALA A 46 11.109 2.431 2.463 1.00 0.00 C ATOM 679 O ALA A 46 11.258 3.538 2.977 1.00 0.00 O ATOM 680 CB ALA A 46 12.570 0.491 3.216 1.00 0.00 C ATOM 0 H ALA A 46 10.476 -0.744 2.826 1.00 0.00 H new ATOM 0 HA ALA A 46 11.049 1.451 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.341 1.192 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.591 -0.388 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.756 0.190 2.185 1.00 0.00 H new ATOM 686 N LEU A 47 10.867 2.227 1.176 1.00 0.00 N ATOM 687 CA LEU A 47 10.756 3.341 0.250 1.00 0.00 C ATOM 688 C LEU A 47 9.423 4.057 0.477 1.00 0.00 C ATOM 689 O LEU A 47 9.388 5.277 0.636 1.00 0.00 O ATOM 690 CB LEU A 47 10.960 2.864 -1.189 1.00 0.00 C ATOM 691 CG LEU A 47 11.385 3.934 -2.197 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.689 3.312 -3.561 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.337 5.044 -2.293 1.00 0.00 C ATOM 0 H LEU A 47 10.745 1.307 0.753 1.00 0.00 H new ATOM 0 HA LEU A 47 11.545 4.070 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.713 2.076 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.030 2.414 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 47 12.307 4.393 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.989 4.094 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.497 2.588 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.798 2.810 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.664 5.791 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.386 4.620 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.214 5.513 -1.317 1.00 0.00 H new ATOM 705 N LEU A 48 8.358 3.269 0.486 1.00 0.00 N ATOM 706 CA LEU A 48 7.026 3.812 0.692 1.00 0.00 C ATOM 707 C LEU A 48 7.075 4.864 1.802 1.00 0.00 C ATOM 708 O LEU A 48 6.629 5.994 1.611 1.00 0.00 O ATOM 709 CB LEU A 48 6.023 2.687 0.954 1.00 0.00 C ATOM 710 CG LEU A 48 4.682 3.111 1.556 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.008 4.181 0.694 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.774 1.900 1.780 1.00 0.00 C ATOM 0 H LEU A 48 8.390 2.258 0.354 1.00 0.00 H new ATOM 0 HA LEU A 48 6.676 4.315 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.830 2.173 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.486 1.962 1.624 1.00 0.00 H new ATOM 0 HG LEU A 48 4.872 3.556 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.057 4.465 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.654 5.056 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.832 3.785 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.827 2.229 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.588 1.404 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.259 1.203 2.464 1.00 0.00 H new ATOM 724 N ARG A 49 7.620 4.454 2.938 1.00 0.00 N ATOM 725 CA ARG A 49 7.732 5.347 4.079 1.00 0.00 C ATOM 726 C ARG A 49 8.608 6.551 3.726 1.00 0.00 C ATOM 727 O ARG A 49 8.213 7.695 3.945 1.00 0.00 O ATOM 728 CB ARG A 49 8.333 4.624 5.286 1.00 0.00 C ATOM 729 CG ARG A 49 8.549 5.591 6.452 1.00 0.00 C ATOM 730 CD ARG A 49 9.274 4.901 7.610 1.00 0.00 C ATOM 731 NE ARG A 49 10.315 5.798 8.160 1.00 0.00 N ATOM 732 CZ ARG A 49 11.286 5.399 8.993 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.356 4.116 9.375 1.00 0.00 N ATOM 734 NH2 ARG A 49 12.188 6.282 9.442 1.00 0.00 N ATOM 0 H ARG A 49 7.989 3.516 3.093 1.00 0.00 H new ATOM 0 HA ARG A 49 6.728 5.686 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.671 3.816 5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.283 4.168 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.130 6.449 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.587 5.972 6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.561 4.636 8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.728 3.972 7.264 1.00 0.00 H new ATOM 0 HE ARG A 49 10.292 6.781 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.670 3.444 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.095 3.812 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.136 7.258 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.927 5.978 10.076 1.00 0.00 H new ATOM 748 N GLU A 50 9.780 6.252 3.186 1.00 0.00 N ATOM 749 CA GLU A 50 10.715 7.296 2.801 1.00 0.00 C ATOM 750 C GLU A 50 10.027 8.314 1.889 1.00 0.00 C ATOM 751 O GLU A 50 10.143 9.520 2.101 1.00 0.00 O ATOM 752 CB GLU A 50 11.952 6.702 2.125 1.00 0.00 C ATOM 753 CG GLU A 50 12.870 6.034 3.151 1.00 0.00 C ATOM 754 CD GLU A 50 14.010 5.283 2.459 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.690 4.388 1.648 1.00 0.00 O ATOM 756 OE2 GLU A 50 15.175 5.621 2.758 1.00 0.00 O ATOM 0 H GLU A 50 10.104 5.302 3.006 1.00 0.00 H new ATOM 0 HA GLU A 50 11.047 7.811 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.646 5.972 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.497 7.487 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.281 6.788 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.293 5.342 3.764 1.00 0.00 H new ATOM 763 N GLN A 51 9.326 7.791 0.894 1.00 0.00 N ATOM 764 CA GLN A 51 8.620 8.639 -0.051 1.00 0.00 C ATOM 765 C GLN A 51 7.491 9.394 0.654 1.00 0.00 C ATOM 766 O GLN A 51 7.232 10.557 0.350 1.00 0.00 O ATOM 767 CB GLN A 51 8.082 7.821 -1.226 1.00 0.00 C ATOM 768 CG GLN A 51 8.891 8.089 -2.497 1.00 0.00 C ATOM 769 CD GLN A 51 7.991 8.074 -3.734 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.428 9.079 -4.135 1.00 0.00 O ATOM 771 NE2 GLN A 51 7.887 6.882 -4.313 1.00 0.00 N ATOM 0 H GLN A 51 9.232 6.790 0.722 1.00 0.00 H new ATOM 0 HA GLN A 51 9.324 9.368 -0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.121 6.759 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.035 8.070 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.390 9.055 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.671 7.335 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.386 6.081 -3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.309 6.768 -5.145 1.00 0.00 H new ATOM 780 N TRP A 52 6.849 8.701 1.583 1.00 0.00 N ATOM 781 CA TRP A 52 5.753 9.291 2.334 1.00 0.00 C ATOM 782 C TRP A 52 6.322 10.428 3.184 1.00 0.00 C ATOM 783 O TRP A 52 5.951 11.587 3.005 1.00 0.00 O ATOM 784 CB TRP A 52 5.024 8.232 3.163 1.00 0.00 C ATOM 785 CG TRP A 52 3.734 8.732 3.816 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.579 9.771 4.649 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.414 8.170 3.654 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.263 9.918 5.034 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.532 8.914 4.410 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.981 7.070 2.894 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.161 8.639 4.480 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.608 6.807 2.974 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.294 7.546 3.731 1.00 0.00 C ATOM 0 H TRP A 52 7.067 7.736 1.833 1.00 0.00 H new ATOM 0 HA TRP A 52 5.001 9.702 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.789 7.382 2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.696 7.869 3.941 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.384 10.412 4.977 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.894 10.632 5.662 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.654 6.474 2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.510 9.237 5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.223 5.972 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.340 7.279 3.742 1.00 0.00 H new ATOM 804 N ALA A 53 7.213 10.058 4.092 1.00 0.00 N ATOM 805 CA ALA A 53 7.836 11.033 4.970 1.00 0.00 C ATOM 806 C ALA A 53 8.572 12.076 4.127 1.00 0.00 C ATOM 807 O ALA A 53 8.277 13.267 4.211 1.00 0.00 O ATOM 808 CB ALA A 53 8.766 10.316 5.951 1.00 0.00 C ATOM 0 H ALA A 53 7.518 9.096 4.238 1.00 0.00 H new ATOM 0 HA ALA A 53 7.082 11.556 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.234 11.048 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.190 9.607 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.538 9.782 5.397 1.00 0.00 H new ATOM 814 N GLY A 54 9.515 11.591 3.333 1.00 0.00 N ATOM 815 CA GLY A 54 10.295 12.466 2.475 1.00 0.00 C ATOM 816 C GLY A 54 9.434 13.606 1.926 1.00 0.00 C ATOM 817 O GLY A 54 9.911 14.728 1.767 1.00 0.00 O ATOM 0 H GLY A 54 9.757 10.602 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.134 12.877 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.714 11.892 1.649 1.00 0.00 H new ATOM 821 N GLY A 55 8.179 13.278 1.652 1.00 0.00 N ATOM 822 CA GLY A 55 7.247 14.260 1.125 1.00 0.00 C ATOM 823 C GLY A 55 7.197 14.203 -0.403 1.00 0.00 C ATOM 824 O GLY A 55 6.932 15.211 -1.057 1.00 0.00 O ATOM 0 H GLY A 55 7.787 12.346 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.252 14.078 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.545 15.258 1.446 1.00 0.00 H new ATOM 828 N LYS A 56 7.456 13.015 -0.928 1.00 0.00 N ATOM 829 CA LYS A 56 7.444 12.814 -2.367 1.00 0.00 C ATOM 830 C LYS A 56 6.066 12.305 -2.795 1.00 0.00 C ATOM 831 O LYS A 56 5.727 12.339 -3.977 1.00 0.00 O ATOM 832 CB LYS A 56 8.595 11.899 -2.790 1.00 0.00 C ATOM 833 CG LYS A 56 9.885 12.697 -2.988 1.00 0.00 C ATOM 834 CD LYS A 56 10.370 12.604 -4.437 1.00 0.00 C ATOM 835 CE LYS A 56 11.620 13.460 -4.652 1.00 0.00 C ATOM 836 NZ LYS A 56 11.312 14.616 -5.523 1.00 0.00 N ATOM 0 H LYS A 56 7.676 12.181 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 56 7.611 13.759 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.751 11.131 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.335 11.386 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.715 13.741 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.657 12.320 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.589 11.565 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.579 12.933 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.997 13.811 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.408 12.857 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.171 15.187 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.973 14.275 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.575 15.200 -5.078 1.00 0.00 H new ATOM 850 N LEU A 57 5.308 11.845 -1.810 1.00 0.00 N ATOM 851 CA LEU A 57 3.974 11.331 -2.070 1.00 0.00 C ATOM 852 C LEU A 57 2.986 12.497 -2.133 1.00 0.00 C ATOM 853 O LEU A 57 3.194 13.527 -1.494 1.00 0.00 O ATOM 854 CB LEU A 57 3.601 10.263 -1.039 1.00 0.00 C ATOM 855 CG LEU A 57 4.450 8.990 -1.055 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.744 7.852 -0.315 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.824 8.598 -2.486 1.00 0.00 C ATOM 0 H LEU A 57 5.592 11.818 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 57 3.940 10.832 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.666 10.707 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.559 9.983 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 57 5.380 9.192 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.368 6.959 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.571 8.144 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.789 7.642 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.427 7.690 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.917 8.420 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.395 9.404 -2.947 1.00 0.00 H new ATOM 869 N SER A 58 1.930 12.295 -2.908 1.00 0.00 N ATOM 870 CA SER A 58 0.909 13.317 -3.062 1.00 0.00 C ATOM 871 C SER A 58 -0.140 13.180 -1.956 1.00 0.00 C ATOM 872 O SER A 58 -0.301 12.106 -1.378 1.00 0.00 O ATOM 873 CB SER A 58 0.244 13.227 -4.437 1.00 0.00 C ATOM 874 OG SER A 58 -0.796 12.253 -4.465 1.00 0.00 O ATOM 0 H SER A 58 1.760 11.439 -3.436 1.00 0.00 H new ATOM 0 HA SER A 58 1.387 14.293 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.164 14.201 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.995 12.977 -5.187 1.00 0.00 H new ATOM 0 HG SER A 58 -1.531 12.575 -5.027 1.00 0.00 H new ATOM 880 N ILE A 59 -0.824 14.284 -1.694 1.00 0.00 N ATOM 881 CA ILE A 59 -1.852 14.301 -0.667 1.00 0.00 C ATOM 882 C ILE A 59 -2.943 13.290 -1.027 1.00 0.00 C ATOM 883 O ILE A 59 -3.392 12.526 -0.174 1.00 0.00 O ATOM 884 CB ILE A 59 -2.377 15.723 -0.458 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.398 16.551 0.378 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.779 15.706 0.153 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.302 17.983 -0.150 1.00 0.00 C ATOM 0 H ILE A 59 -0.687 15.173 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.436 13.995 0.293 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.457 16.204 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.723 16.564 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.413 16.085 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.128 16.729 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.460 15.177 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.749 15.200 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.600 18.550 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.953 17.967 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.284 18.454 -0.106 1.00 0.00 H new ATOM 899 N PRO A 60 -3.348 13.319 -2.325 1.00 0.00 N ATOM 900 CA PRO A 60 -4.378 12.415 -2.808 1.00 0.00 C ATOM 901 C PRO A 60 -3.828 10.997 -2.975 1.00 0.00 C ATOM 902 O PRO A 60 -4.568 10.077 -3.320 1.00 0.00 O ATOM 903 CB PRO A 60 -4.855 13.025 -4.116 1.00 0.00 C ATOM 904 CG PRO A 60 -3.763 13.988 -4.549 1.00 0.00 C ATOM 905 CD PRO A 60 -2.839 14.210 -3.363 1.00 0.00 C ATOM 0 HA PRO A 60 -5.207 12.309 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.018 12.255 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.804 13.545 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.208 13.581 -5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.196 14.933 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.806 13.973 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.857 15.250 -3.036 1.00 0.00 H new ATOM 913 N VAL A 61 -2.534 10.865 -2.723 1.00 0.00 N ATOM 914 CA VAL A 61 -1.876 9.575 -2.841 1.00 0.00 C ATOM 915 C VAL A 61 -1.915 8.861 -1.488 1.00 0.00 C ATOM 916 O VAL A 61 -1.815 7.637 -1.425 1.00 0.00 O ATOM 917 CB VAL A 61 -0.455 9.759 -3.379 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.489 8.701 -2.806 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.441 9.736 -4.908 1.00 0.00 C ATOM 0 H VAL A 61 -1.923 11.631 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.401 8.943 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.098 10.737 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.492 8.854 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.513 8.785 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.136 7.708 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.580 9.869 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.827 8.780 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.066 10.543 -5.290 1.00 0.00 H new ATOM 929 N LYS A 62 -2.061 9.657 -0.439 1.00 0.00 N ATOM 930 CA LYS A 62 -2.115 9.117 0.909 1.00 0.00 C ATOM 931 C LYS A 62 -3.572 8.844 1.286 1.00 0.00 C ATOM 932 O LYS A 62 -3.879 7.815 1.886 1.00 0.00 O ATOM 933 CB LYS A 62 -1.389 10.043 1.887 1.00 0.00 C ATOM 934 CG LYS A 62 -0.074 10.548 1.290 1.00 0.00 C ATOM 935 CD LYS A 62 0.341 11.878 1.923 1.00 0.00 C ATOM 936 CE LYS A 62 1.574 12.456 1.226 1.00 0.00 C ATOM 937 NZ LYS A 62 1.361 13.882 0.893 1.00 0.00 N ATOM 0 H LYS A 62 -2.144 10.672 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.589 8.164 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.029 10.890 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.190 9.511 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.709 9.806 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.184 10.672 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.483 12.588 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.553 11.730 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.446 12.354 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.783 11.892 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.538 14.032 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.381 14.148 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.014 14.470 1.449 1.00 0.00 H new ATOM 951 N LYS A 63 -4.431 9.784 0.919 1.00 0.00 N ATOM 952 CA LYS A 63 -5.849 9.657 1.212 1.00 0.00 C ATOM 953 C LYS A 63 -6.407 8.430 0.488 1.00 0.00 C ATOM 954 O LYS A 63 -7.296 7.753 1.002 1.00 0.00 O ATOM 955 CB LYS A 63 -6.583 10.957 0.877 1.00 0.00 C ATOM 956 CG LYS A 63 -6.845 11.780 2.139 1.00 0.00 C ATOM 957 CD LYS A 63 -5.897 12.979 2.218 1.00 0.00 C ATOM 958 CE LYS A 63 -4.492 12.541 2.633 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.545 11.738 3.875 1.00 0.00 N ATOM 0 H LYS A 63 -4.173 10.636 0.422 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.006 9.496 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.991 11.542 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.528 10.728 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.878 12.128 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.717 11.152 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.855 13.478 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.282 13.705 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.036 11.956 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.862 13.417 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.687 11.910 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.382 12.010 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.604 10.728 3.633 1.00 0.00 H new ATOM 973 N ARG A 64 -5.863 8.182 -0.694 1.00 0.00 N ATOM 974 CA ARG A 64 -6.296 7.049 -1.494 1.00 0.00 C ATOM 975 C ARG A 64 -5.738 5.747 -0.916 1.00 0.00 C ATOM 976 O ARG A 64 -6.447 4.746 -0.834 1.00 0.00 O ATOM 977 CB ARG A 64 -5.836 7.192 -2.946 1.00 0.00 C ATOM 978 CG ARG A 64 -7.010 7.547 -3.861 1.00 0.00 C ATOM 979 CD ARG A 64 -6.771 7.036 -5.283 1.00 0.00 C ATOM 980 NE ARG A 64 -8.026 7.109 -6.064 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.570 8.250 -6.507 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.973 9.422 -6.248 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.711 8.221 -7.209 1.00 0.00 N ATOM 0 H ARG A 64 -5.126 8.746 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.385 7.024 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.071 7.965 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.379 6.260 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.928 7.114 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.149 8.628 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.997 7.631 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.411 6.008 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.507 6.235 -6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.104 9.445 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.387 10.291 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.166 7.330 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.125 9.090 -7.546 1.00 0.00 H new ATOM 997 N MET A 65 -4.471 5.803 -0.529 1.00 0.00 N ATOM 998 CA MET A 65 -3.810 4.640 0.039 1.00 0.00 C ATOM 999 C MET A 65 -4.585 4.104 1.244 1.00 0.00 C ATOM 1000 O MET A 65 -5.030 2.957 1.240 1.00 0.00 O ATOM 1001 CB MET A 65 -2.392 5.020 0.470 1.00 0.00 C ATOM 1002 CG MET A 65 -1.371 4.628 -0.599 1.00 0.00 C ATOM 1003 SD MET A 65 -1.430 2.867 -0.885 1.00 0.00 S ATOM 1004 CE MET A 65 -0.907 2.276 0.717 1.00 0.00 C ATOM 0 H MET A 65 -3.885 6.635 -0.598 1.00 0.00 H new ATOM 0 HA MET A 65 -3.771 3.859 -0.720 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.339 6.093 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.149 4.524 1.410 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.580 5.162 -1.526 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.370 4.920 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.768 1.196 0.679 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.034 2.754 0.992 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.667 2.518 1.460 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.721 4.959 2.247 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.434 4.585 3.457 1.00 0.00 C ATOM 1016 C ALA A 66 -6.650 3.734 3.085 1.00 0.00 C ATOM 1017 O ALA A 66 -7.004 2.802 3.806 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.820 5.846 4.233 1.00 0.00 C ATOM 0 H ALA A 66 -4.350 5.909 2.247 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.798 3.984 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.355 5.565 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.919 6.399 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.461 6.473 3.613 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.257 4.086 1.961 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.426 3.366 1.485 1.00 0.00 C ATOM 1026 C LEU A 67 -8.071 1.889 1.301 1.00 0.00 C ATOM 1027 O LEU A 67 -8.638 1.024 1.966 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.983 4.026 0.222 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.052 5.554 0.238 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.933 6.075 -0.899 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.515 6.068 1.603 1.00 0.00 C ATOM 0 H LEU A 67 -6.961 4.860 1.366 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.228 3.412 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.370 3.719 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.987 3.639 0.046 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.047 5.943 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.965 7.164 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.520 5.754 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.942 5.679 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.555 7.157 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.506 5.671 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.814 5.742 2.371 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.134 1.647 0.397 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.696 0.290 0.118 1.00 0.00 C ATOM 1045 C LEU A 68 -6.328 -0.403 1.431 1.00 0.00 C ATOM 1046 O LEU A 68 -6.628 -1.580 1.622 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.566 0.292 -0.914 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.568 -0.864 -0.819 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.920 -1.141 -2.177 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.527 -0.601 0.271 1.00 0.00 C ATOM 0 H LEU A 68 -6.666 2.368 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.505 -0.286 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.010 0.281 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.017 1.229 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.113 -1.764 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.215 -1.967 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.691 -1.404 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.392 -0.250 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.830 -1.438 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.981 0.314 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.027 -0.491 1.233 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.682 0.357 2.304 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.270 -0.169 3.594 1.00 0.00 C ATOM 1064 C VAL A 69 -6.507 -0.610 4.379 1.00 0.00 C ATOM 1065 O VAL A 69 -6.666 -1.792 4.681 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.429 0.870 4.338 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.276 0.497 5.814 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.063 1.048 3.673 1.00 0.00 C ATOM 0 H VAL A 69 -5.434 1.333 2.143 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.637 -1.047 3.464 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.953 1.824 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.674 1.252 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.260 0.446 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.785 -0.473 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.485 1.792 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.529 0.098 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.200 1.381 2.644 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.351 0.363 4.686 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.569 0.090 5.430 1.00 0.00 C ATOM 1080 C GLN A 70 -9.204 -1.216 4.948 1.00 0.00 C ATOM 1081 O GLN A 70 -9.664 -2.022 5.755 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.555 1.254 5.315 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.132 2.422 6.209 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.351 2.088 7.686 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.399 1.616 8.094 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.305 2.360 8.463 1.00 0.00 N ATOM 0 H GLN A 70 -7.216 1.342 4.433 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.311 -0.021 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.611 1.587 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.553 0.919 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.081 2.655 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.703 3.312 5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.457 2.755 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.352 2.174 9.465 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.209 -1.384 3.634 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.780 -2.578 3.034 1.00 0.00 C ATOM 1097 C GLU A 71 -8.960 -3.811 3.422 1.00 0.00 C ATOM 1098 O GLU A 71 -9.502 -4.779 3.953 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.872 -2.438 1.514 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.609 -1.155 1.125 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.125 -1.364 1.150 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.568 -2.210 1.957 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.806 -0.674 0.362 1.00 0.00 O ATOM 0 H GLU A 71 -8.827 -0.713 2.968 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.793 -2.704 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.870 -2.430 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.391 -3.301 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.338 -0.353 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.298 -0.841 0.129 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.667 -3.734 3.143 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.768 -4.831 3.456 1.00 0.00 C ATOM 1112 C LEU A 72 -6.961 -5.242 4.917 1.00 0.00 C ATOM 1113 O LEU A 72 -6.792 -6.410 5.265 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.326 -4.458 3.108 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.370 -5.628 2.865 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.405 -5.319 1.718 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.630 -6.007 4.149 1.00 0.00 C ATOM 0 H LEU A 72 -7.221 -2.929 2.704 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.004 -5.702 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.339 -3.834 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.924 -3.848 3.917 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.960 -6.494 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.737 -6.167 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.972 -5.136 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.818 -4.434 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.957 -6.841 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.053 -5.152 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.352 -6.298 4.912 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.312 -4.260 5.734 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.530 -4.504 7.149 1.00 0.00 C ATOM 1131 C LEU A 73 -8.761 -5.396 7.325 1.00 0.00 C ATOM 1132 O LEU A 73 -8.743 -6.336 8.118 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.614 -3.182 7.915 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.318 -2.373 8.001 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.580 -0.978 8.570 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.253 -3.128 8.799 1.00 0.00 C ATOM 0 H LEU A 73 -7.451 -3.293 5.442 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.683 -5.040 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.376 -2.561 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.955 -3.393 8.928 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.929 -2.240 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.643 -0.424 8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.281 -0.448 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.003 -1.067 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.342 -2.531 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.618 -3.312 9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.039 -4.079 8.312 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.801 -5.070 6.571 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.038 -5.829 6.633 1.00 0.00 C ATOM 1150 C HIS A 74 -10.920 -7.076 5.754 1.00 0.00 C ATOM 1151 O HIS A 74 -11.846 -7.882 5.686 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.234 -4.952 6.260 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.806 -4.169 7.417 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.159 -3.904 7.547 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.197 -3.598 8.495 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.343 -3.204 8.657 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.126 -3.014 9.243 1.00 0.00 N ATOM 0 H HIS A 74 -9.812 -4.290 5.914 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.212 -6.163 7.656 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.931 -4.256 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.017 -5.583 5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.138 -3.617 8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.291 -2.847 9.032 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.957 -2.507 10.112 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.772 -7.195 5.103 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.520 -8.329 4.230 1.00 0.00 C ATOM 1167 C HIS A 75 -10.076 -8.037 2.835 1.00 0.00 C ATOM 1168 O HIS A 75 -9.953 -8.860 1.929 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.085 -9.616 4.836 1.00 0.00 C ATOM 1170 CG HIS A 75 -9.917 -9.714 6.333 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -10.869 -10.289 7.158 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -8.900 -9.307 7.145 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.434 -10.225 8.408 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.214 -9.615 8.398 1.00 0.00 N ATOM 0 H HIS A 75 -9.006 -6.524 5.163 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.446 -8.484 4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.146 -9.684 4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.596 -10.471 4.369 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.993 -8.817 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.954 -10.591 9.281 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.638 -9.426 9.218 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.676 -6.862 2.706 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.251 -6.451 1.437 1.00 0.00 C ATOM 1184 C GLN A 76 -10.149 -6.256 0.393 1.00 0.00 C ATOM 1185 O GLN A 76 -9.838 -5.127 0.018 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.084 -5.178 1.599 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.429 -5.483 2.261 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.486 -5.842 1.215 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.407 -5.461 0.059 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.478 -6.595 1.684 1.00 0.00 N ATOM 0 H GLN A 76 -10.776 -6.182 3.460 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.918 -7.240 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.535 -4.454 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.250 -4.721 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.313 -6.308 2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.760 -4.618 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.483 -6.879 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.233 -6.888 1.064 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.590 -7.374 -0.046 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.529 -7.341 -1.039 1.00 0.00 C ATOM 1201 C TRP A 77 -9.107 -6.754 -2.328 1.00 0.00 C ATOM 1202 O TRP A 77 -8.518 -5.853 -2.923 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.918 -8.730 -1.236 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.063 -9.651 -0.023 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.936 -10.652 0.153 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.272 -9.615 1.184 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.766 -11.262 1.380 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.722 -10.611 2.026 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.211 -8.768 1.551 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.169 -10.854 3.289 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.670 -9.024 2.816 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.111 -10.023 3.677 1.00 0.00 C ATOM 0 H TRP A 77 -9.852 -8.309 0.268 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.708 -6.707 -0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.389 -9.204 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.859 -8.620 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.679 -10.945 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.307 -12.046 1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.843 -7.982 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.539 -11.641 3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.852 -8.402 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.640 -10.157 4.640 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.254 -7.289 -2.722 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.918 -6.829 -3.930 1.00 0.00 C ATOM 1225 C ASP A 78 -10.916 -5.299 -3.957 1.00 0.00 C ATOM 1226 O ASP A 78 -10.655 -4.694 -4.995 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.373 -7.301 -3.972 1.00 0.00 C ATOM 1228 CG ASP A 78 -13.134 -7.168 -2.652 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.693 -7.809 -1.675 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -14.141 -6.427 -2.650 1.00 0.00 O ATOM 0 H ASP A 78 -10.740 -8.036 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.381 -7.237 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.902 -6.733 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.391 -8.346 -4.281 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.211 -4.718 -2.803 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.246 -3.271 -2.682 1.00 0.00 C ATOM 1237 C ALA A 79 -9.821 -2.722 -2.758 1.00 0.00 C ATOM 1238 O ALA A 79 -9.545 -1.805 -3.531 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.951 -2.885 -1.380 1.00 0.00 C ATOM 0 H ALA A 79 -11.428 -5.223 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.812 -2.831 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.978 -1.799 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.969 -3.273 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.409 -3.307 -0.534 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.951 -3.305 -1.946 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.561 -2.886 -1.911 1.00 0.00 C ATOM 1247 C ALA A 80 -7.051 -2.708 -3.343 1.00 0.00 C ATOM 1248 O ALA A 80 -6.465 -1.678 -3.674 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.739 -3.906 -1.122 1.00 0.00 C ATOM 0 H ALA A 80 -9.183 -4.065 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.462 -1.926 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.696 -3.591 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.123 -3.974 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.811 -4.882 -1.603 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.292 -3.728 -4.154 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.864 -3.698 -5.542 1.00 0.00 C ATOM 1257 C ASP A 81 -7.587 -2.562 -6.269 1.00 0.00 C ATOM 1258 O ASP A 81 -6.980 -1.840 -7.059 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.207 -5.009 -6.253 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.983 -5.002 -7.766 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -7.704 -4.237 -8.443 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.096 -5.761 -8.212 1.00 0.00 O ATOM 0 H ASP A 81 -7.778 -4.580 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.784 -3.551 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.609 -5.809 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.252 -5.249 -6.057 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.873 -2.440 -5.977 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.685 -1.404 -6.593 1.00 0.00 C ATOM 1269 C ASP A 82 -8.981 -0.054 -6.445 1.00 0.00 C ATOM 1270 O ASP A 82 -8.706 0.619 -7.437 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.053 -1.301 -5.916 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.215 -0.966 -6.853 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.588 -1.864 -7.638 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.705 0.181 -6.763 1.00 0.00 O ATOM 0 H ASP A 82 -9.373 -3.041 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.821 -1.662 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.268 -2.247 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.001 -0.538 -5.139 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.709 0.302 -5.198 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.042 1.559 -4.907 1.00 0.00 C ATOM 1281 C ILE A 83 -6.635 1.536 -5.507 1.00 0.00 C ATOM 1282 O ILE A 83 -6.228 2.481 -6.182 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.064 1.842 -3.404 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.500 1.933 -2.884 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.254 3.096 -3.069 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.681 1.089 -1.621 1.00 0.00 C ATOM 0 H ILE A 83 -8.939 -0.259 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.574 2.389 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.588 1.005 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.747 2.973 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.192 1.593 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.287 3.274 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.220 2.955 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.678 3.953 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.710 1.172 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.456 0.046 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.005 1.447 -0.844 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.930 0.446 -5.241 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.577 0.287 -5.746 1.00 0.00 C ATOM 1300 C HIS A 84 -4.544 0.625 -7.238 1.00 0.00 C ATOM 1301 O HIS A 84 -3.594 1.242 -7.718 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.045 -1.115 -5.443 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.266 -1.735 -6.579 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.649 -2.914 -7.194 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.124 -1.327 -7.204 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.770 -3.194 -8.145 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.825 -2.210 -8.149 1.00 0.00 N ATOM 0 H HIS A 84 -6.271 -0.336 -4.682 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.910 0.983 -5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.406 -1.067 -4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.884 -1.765 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.559 -0.437 -6.970 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.797 -4.051 -8.802 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.021 -2.161 -8.775 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.592 0.205 -7.930 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.695 0.455 -9.358 1.00 0.00 C ATOM 1317 C ARG A 85 -5.848 1.954 -9.625 1.00 0.00 C ATOM 1318 O ARG A 85 -5.069 2.536 -10.378 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.888 -0.288 -9.963 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.593 -1.783 -10.096 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.642 -2.052 -11.265 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.251 -3.480 -11.280 1.00 0.00 N ATOM 1323 CZ ARG A 85 -4.320 -3.994 -12.095 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -3.680 -3.202 -12.966 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.029 -5.301 -12.040 1.00 0.00 N ATOM 0 H ARG A 85 -6.378 -0.307 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.780 0.091 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.768 -0.142 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.122 0.129 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.152 -2.154 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.524 -2.329 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.125 -1.789 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.755 -1.424 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.719 -4.111 -10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.901 -2.207 -13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.971 -3.594 -13.586 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.516 -5.905 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.320 -5.692 -12.660 1.00 0.00 H new ATOM 1339 N SER A 86 -6.857 2.535 -8.993 1.00 0.00 N ATOM 1340 CA SER A 86 -7.122 3.955 -9.153 1.00 0.00 C ATOM 1341 C SER A 86 -5.824 4.750 -9.001 1.00 0.00 C ATOM 1342 O SER A 86 -5.636 5.771 -9.660 1.00 0.00 O ATOM 1343 CB SER A 86 -8.162 4.438 -8.140 1.00 0.00 C ATOM 1344 OG SER A 86 -9.387 3.719 -8.249 1.00 0.00 O ATOM 0 H SER A 86 -7.501 2.048 -8.369 1.00 0.00 H new ATOM 0 HA SER A 86 -7.525 4.117 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.765 4.326 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.350 5.501 -8.293 1.00 0.00 H new ATOM 0 HG SER A 86 -10.024 4.056 -7.585 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.961 4.251 -8.127 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.686 4.902 -7.880 1.00 0.00 C ATOM 1352 C LEU A 87 -2.749 4.644 -9.062 1.00 0.00 C ATOM 1353 O LEU A 87 -2.053 5.551 -9.517 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.111 4.461 -6.532 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.379 5.396 -5.351 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.075 4.701 -4.022 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.605 6.707 -5.503 1.00 0.00 C ATOM 0 H LEU A 87 -5.120 3.404 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.818 5.982 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.516 3.478 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.033 4.344 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.440 5.647 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.274 5.387 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.707 3.819 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.027 4.401 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.813 7.353 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.537 6.496 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.913 7.207 -6.421 1.00 0.00 H new ATOM 1369 N MET A 88 -2.761 3.403 -9.525 1.00 0.00 N ATOM 1370 CA MET A 88 -1.921 3.014 -10.646 1.00 0.00 C ATOM 1371 C MET A 88 -2.358 3.721 -11.930 1.00 0.00 C ATOM 1372 O MET A 88 -1.676 3.641 -12.950 1.00 0.00 O ATOM 1373 CB MET A 88 -2.002 1.499 -10.843 1.00 0.00 C ATOM 1374 CG MET A 88 -1.097 0.768 -9.850 1.00 0.00 C ATOM 1375 SD MET A 88 0.164 -0.141 -10.727 1.00 0.00 S ATOM 1376 CE MET A 88 1.614 0.766 -10.213 1.00 0.00 C ATOM 0 H MET A 88 -3.339 2.653 -9.145 1.00 0.00 H new ATOM 0 HA MET A 88 -0.894 3.306 -10.425 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.032 1.167 -10.715 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.710 1.245 -11.862 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.635 1.485 -9.171 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.689 0.087 -9.239 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.150 1.123 -11.092 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.313 1.616 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.265 0.113 -9.632 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.494 4.397 -11.838 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.031 5.117 -12.981 1.00 0.00 C ATOM 1388 C VAL A 89 -3.303 6.455 -13.122 1.00 0.00 C ATOM 1389 O VAL A 89 -2.634 6.699 -14.125 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.546 5.273 -12.836 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.104 6.218 -13.902 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.245 3.913 -12.889 1.00 0.00 C ATOM 0 H VAL A 89 -4.057 4.461 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.862 4.556 -13.900 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.745 5.714 -11.859 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.183 6.312 -13.777 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.640 7.199 -13.797 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.887 5.818 -14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.321 4.053 -12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.033 3.432 -13.844 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.879 3.284 -12.077 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.457 7.288 -12.103 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.823 8.595 -12.101 1.00 0.00 C ATOM 1404 C ASP A 90 -1.499 8.513 -11.338 1.00 0.00 C ATOM 1405 O ASP A 90 -0.428 8.601 -11.936 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.705 9.634 -11.408 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.980 10.010 -12.166 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.752 9.077 -12.476 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.154 11.222 -12.418 1.00 0.00 O ATOM 0 H ASP A 90 -4.012 7.083 -11.272 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.662 8.893 -13.137 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.984 9.254 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.117 10.537 -11.246 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.617 8.347 -10.029 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.443 8.253 -9.178 1.00 0.00 C ATOM 1416 C HIS A 91 0.174 6.859 -9.308 1.00 0.00 C ATOM 1417 O HIS A 91 0.259 6.121 -8.328 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.789 8.617 -7.733 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.749 9.775 -7.604 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.329 11.092 -7.535 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.111 9.801 -7.532 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.399 11.867 -7.427 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.502 11.065 -7.425 1.00 0.00 N ATOM 0 H HIS A 91 -2.508 8.275 -9.537 1.00 0.00 H new ATOM 0 HA HIS A 91 0.306 8.975 -9.503 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.221 7.744 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.130 8.860 -7.200 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.361 11.412 -7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.761 8.939 -7.558 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.398 12.944 -7.353 1.00 0.00 H new ATOM 1431 N VAL A 92 0.589 6.542 -10.525 1.00 0.00 N ATOM 1432 CA VAL A 92 1.196 5.250 -10.795 1.00 0.00 C ATOM 1433 C VAL A 92 2.686 5.309 -10.452 1.00 0.00 C ATOM 1434 O VAL A 92 3.190 4.464 -9.714 1.00 0.00 O ATOM 1435 CB VAL A 92 0.933 4.841 -12.246 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.819 5.635 -13.208 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.129 3.336 -12.436 1.00 0.00 C ATOM 0 H VAL A 92 0.517 7.157 -11.335 1.00 0.00 H new ATOM 0 HA VAL A 92 0.748 4.480 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.106 5.075 -12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.613 5.325 -14.232 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.609 6.699 -13.101 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.867 5.447 -12.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.936 3.072 -13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.153 3.067 -12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.438 2.795 -11.790 1.00 0.00 H new ATOM 1447 N THR A 93 3.348 6.315 -11.003 1.00 0.00 N ATOM 1448 CA THR A 93 4.770 6.495 -10.764 1.00 0.00 C ATOM 1449 C THR A 93 5.026 6.824 -9.292 1.00 0.00 C ATOM 1450 O THR A 93 6.031 6.401 -8.723 1.00 0.00 O ATOM 1451 CB THR A 93 5.278 7.573 -11.724 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.804 6.836 -12.825 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.487 8.328 -11.170 1.00 0.00 C ATOM 0 H THR A 93 2.926 7.014 -11.614 1.00 0.00 H new ATOM 0 HA THR A 93 5.323 5.577 -10.961 1.00 0.00 H new ATOM 0 HB THR A 93 4.475 8.279 -11.935 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.154 7.457 -13.497 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.807 9.081 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.214 8.815 -10.234 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.303 7.627 -10.991 1.00 0.00 H new ATOM 1461 N GLU A 94 4.099 7.576 -8.717 1.00 0.00 N ATOM 1462 CA GLU A 94 4.211 7.967 -7.322 1.00 0.00 C ATOM 1463 C GLU A 94 4.253 6.728 -6.425 1.00 0.00 C ATOM 1464 O GLU A 94 5.091 6.633 -5.529 1.00 0.00 O ATOM 1465 CB GLU A 94 3.065 8.897 -6.919 1.00 0.00 C ATOM 1466 CG GLU A 94 3.431 10.361 -7.173 1.00 0.00 C ATOM 1467 CD GLU A 94 2.457 11.301 -6.461 1.00 0.00 C ATOM 1468 OE1 GLU A 94 2.581 11.415 -5.222 1.00 0.00 O ATOM 1469 OE2 GLU A 94 1.610 11.885 -7.171 1.00 0.00 O ATOM 0 H GLU A 94 3.267 7.925 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 94 5.143 8.517 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.168 8.640 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.831 8.755 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.446 10.551 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.419 10.562 -8.244 1.00 0.00 H new ATOM 1476 N VAL A 95 3.338 5.809 -6.698 1.00 0.00 N ATOM 1477 CA VAL A 95 3.260 4.579 -5.927 1.00 0.00 C ATOM 1478 C VAL A 95 4.338 3.608 -6.413 1.00 0.00 C ATOM 1479 O VAL A 95 4.775 2.735 -5.665 1.00 0.00 O ATOM 1480 CB VAL A 95 1.848 3.997 -6.012 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.806 5.018 -5.550 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.543 3.504 -7.428 1.00 0.00 C ATOM 0 H VAL A 95 2.645 5.891 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 95 3.452 4.776 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 95 1.797 3.140 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.189 4.579 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.006 5.300 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.858 5.903 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.533 3.095 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.621 4.336 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.258 2.729 -7.705 1.00 0.00 H new ATOM 1492 N SER A 96 4.734 3.793 -7.664 1.00 0.00 N ATOM 1493 CA SER A 96 5.752 2.943 -8.259 1.00 0.00 C ATOM 1494 C SER A 96 7.010 2.944 -7.388 1.00 0.00 C ATOM 1495 O SER A 96 7.091 3.686 -6.410 1.00 0.00 O ATOM 1496 CB SER A 96 6.090 3.402 -9.679 1.00 0.00 C ATOM 1497 OG SER A 96 7.042 4.462 -9.686 1.00 0.00 O ATOM 0 H SER A 96 4.369 4.518 -8.281 1.00 0.00 H new ATOM 0 HA SER A 96 5.359 1.928 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.482 2.559 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.179 3.730 -10.180 1.00 0.00 H new ATOM 0 HG SER A 96 6.832 5.095 -8.967 1.00 0.00 H new ATOM 1503 N GLN A 97 7.959 2.105 -7.774 1.00 0.00 N ATOM 1504 CA GLN A 97 9.209 1.999 -7.040 1.00 0.00 C ATOM 1505 C GLN A 97 8.985 1.270 -5.713 1.00 0.00 C ATOM 1506 O GLN A 97 9.919 1.096 -4.932 1.00 0.00 O ATOM 1507 CB GLN A 97 9.827 3.380 -6.809 1.00 0.00 C ATOM 1508 CG GLN A 97 11.087 3.565 -7.657 1.00 0.00 C ATOM 1509 CD GLN A 97 12.233 4.135 -6.820 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.784 3.483 -5.948 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.560 5.386 -7.131 1.00 0.00 N ATOM 0 H GLN A 97 7.888 1.492 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 97 9.911 1.418 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.100 4.154 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.073 3.500 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.386 2.608 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.873 4.234 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.058 5.875 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.313 5.856 -6.628 1.00 0.00 H new ATOM 1520 N TRP A 98 7.742 0.863 -5.500 1.00 0.00 N ATOM 1521 CA TRP A 98 7.385 0.157 -4.282 1.00 0.00 C ATOM 1522 C TRP A 98 6.009 -0.480 -4.491 1.00 0.00 C ATOM 1523 O TRP A 98 5.793 -1.634 -4.125 1.00 0.00 O ATOM 1524 CB TRP A 98 7.433 1.091 -3.072 1.00 0.00 C ATOM 1525 CG TRP A 98 6.492 2.294 -3.176 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.751 3.501 -3.695 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.122 2.355 -2.726 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.653 4.333 -3.613 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.631 3.614 -3.006 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.325 1.379 -2.104 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.325 4.013 -2.698 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.022 1.793 -1.803 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.512 3.057 -2.078 1.00 0.00 C ATOM 0 H TRP A 98 6.970 1.009 -6.151 1.00 0.00 H new ATOM 0 HA TRP A 98 8.106 -0.632 -4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.181 0.522 -2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.454 1.451 -2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.700 3.787 -4.124 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.601 5.298 -3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.689 0.388 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.964 5.005 -2.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.367 1.081 -1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.493 3.300 -1.814 1.00 0.00 H new ATOM 1544 N MET A 99 5.115 0.301 -5.079 1.00 0.00 N ATOM 1545 CA MET A 99 3.766 -0.172 -5.342 1.00 0.00 C ATOM 1546 C MET A 99 3.772 -1.646 -5.753 1.00 0.00 C ATOM 1547 O MET A 99 2.841 -2.386 -5.439 1.00 0.00 O ATOM 1548 CB MET A 99 3.138 0.667 -6.456 1.00 0.00 C ATOM 1549 CG MET A 99 1.863 0.009 -6.986 1.00 0.00 C ATOM 1550 SD MET A 99 0.814 -0.474 -5.625 1.00 0.00 S ATOM 1551 CE MET A 99 0.011 1.084 -5.285 1.00 0.00 C ATOM 0 H MET A 99 5.298 1.258 -5.381 1.00 0.00 H new ATOM 0 HA MET A 99 3.182 -0.072 -4.427 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.908 1.664 -6.080 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.853 0.791 -7.270 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.331 0.701 -7.638 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.117 -0.864 -7.587 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.012 0.902 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.556 1.611 -4.502 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.003 1.691 -6.190 1.00 0.00 H new ATOM 1561 N VAL A 100 4.832 -2.028 -6.451 1.00 0.00 N ATOM 1562 CA VAL A 100 4.972 -3.400 -6.909 1.00 0.00 C ATOM 1563 C VAL A 100 4.814 -4.349 -5.719 1.00 0.00 C ATOM 1564 O VAL A 100 4.078 -5.331 -5.797 1.00 0.00 O ATOM 1565 CB VAL A 100 6.304 -3.574 -7.640 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.350 -2.719 -8.908 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.482 -3.252 -6.718 1.00 0.00 C ATOM 0 H VAL A 100 5.602 -1.411 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 100 4.189 -3.645 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 100 6.388 -4.619 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.308 -2.862 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.543 -3.017 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.232 -1.668 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.417 -3.384 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.404 -2.220 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.465 -3.922 -5.859 1.00 0.00 H new ATOM 1577 N GLY A 101 5.516 -4.021 -4.644 1.00 0.00 N ATOM 1578 CA GLY A 101 5.464 -4.832 -3.440 1.00 0.00 C ATOM 1579 C GLY A 101 4.028 -4.956 -2.925 1.00 0.00 C ATOM 1580 O GLY A 101 3.476 -6.054 -2.872 1.00 0.00 O ATOM 0 H GLY A 101 6.124 -3.204 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.867 -5.823 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.093 -4.387 -2.670 1.00 0.00 H new ATOM 1584 N VAL A 102 3.464 -3.814 -2.559 1.00 0.00 N ATOM 1585 CA VAL A 102 2.104 -3.781 -2.050 1.00 0.00 C ATOM 1586 C VAL A 102 1.233 -4.733 -2.872 1.00 0.00 C ATOM 1587 O VAL A 102 0.500 -5.548 -2.314 1.00 0.00 O ATOM 1588 CB VAL A 102 1.581 -2.343 -2.048 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.102 -2.298 -1.657 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.419 -1.456 -1.125 1.00 0.00 C ATOM 0 H VAL A 102 3.924 -2.905 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 102 2.075 -4.125 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 102 1.672 -1.952 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.245 -1.265 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.481 -2.881 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.023 -2.717 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.026 -0.439 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.375 -1.845 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.454 -1.451 -1.467 1.00 0.00 H new ATOM 1600 N LYS A 103 1.342 -4.597 -4.185 1.00 0.00 N ATOM 1601 CA LYS A 103 0.573 -5.435 -5.090 1.00 0.00 C ATOM 1602 C LYS A 103 0.720 -6.900 -4.671 1.00 0.00 C ATOM 1603 O LYS A 103 -0.272 -7.613 -4.536 1.00 0.00 O ATOM 1604 CB LYS A 103 0.976 -5.167 -6.541 1.00 0.00 C ATOM 1605 CG LYS A 103 0.272 -6.136 -7.494 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.054 -5.456 -8.825 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.228 -6.489 -9.940 1.00 0.00 C ATOM 1608 NZ LYS A 103 -0.014 -5.863 -11.264 1.00 0.00 N ATOM 0 H LYS A 103 1.951 -3.920 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.487 -5.190 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.724 -4.141 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.056 -5.268 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.907 -7.004 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.646 -6.502 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.966 -4.868 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.744 -4.762 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.478 -7.307 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.228 -6.920 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.136 -6.578 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.705 -5.098 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.949 -5.473 -11.312 1.00 0.00 H new ATOM 1622 N ARG A 104 1.967 -7.304 -4.478 1.00 0.00 N ATOM 1623 CA ARG A 104 2.258 -8.670 -4.077 1.00 0.00 C ATOM 1624 C ARG A 104 1.733 -8.932 -2.664 1.00 0.00 C ATOM 1625 O ARG A 104 1.081 -9.946 -2.418 1.00 0.00 O ATOM 1626 CB ARG A 104 3.762 -8.947 -4.115 1.00 0.00 C ATOM 1627 CG ARG A 104 4.068 -10.374 -3.654 1.00 0.00 C ATOM 1628 CD ARG A 104 3.586 -11.398 -4.683 1.00 0.00 C ATOM 1629 NE ARG A 104 4.534 -11.460 -5.818 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.475 -12.373 -6.797 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.512 -13.305 -6.787 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.378 -12.353 -7.787 1.00 0.00 N ATOM 0 H ARG A 104 2.788 -6.709 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 104 1.760 -9.336 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.137 -8.800 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.283 -8.235 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.141 -10.487 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.585 -10.562 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.498 -12.380 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.593 -11.126 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 104 5.279 -10.764 -5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.824 -13.319 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.467 -14.000 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.110 -11.643 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.333 -13.048 -8.532 1.00 0.00 H new ATOM 1646 N LEU A 105 2.036 -8.000 -1.773 1.00 0.00 N ATOM 1647 CA LEU A 105 1.603 -8.117 -0.391 1.00 0.00 C ATOM 1648 C LEU A 105 0.129 -8.524 -0.355 1.00 0.00 C ATOM 1649 O LEU A 105 -0.239 -9.478 0.329 1.00 0.00 O ATOM 1650 CB LEU A 105 1.904 -6.828 0.376 1.00 0.00 C ATOM 1651 CG LEU A 105 1.694 -6.884 1.891 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.027 -6.765 2.633 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.689 -5.824 2.345 1.00 0.00 C ATOM 0 H LEU A 105 2.576 -7.160 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 105 2.163 -8.902 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.939 -6.547 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.277 -6.033 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 105 1.271 -7.857 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.850 -6.808 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.681 -7.586 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.501 -5.816 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.558 -5.886 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.060 -4.834 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.268 -5.996 1.853 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.675 -7.781 -1.101 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.101 -8.053 -1.164 1.00 0.00 C ATOM 1667 C ILE A 106 -2.320 -9.542 -1.439 1.00 0.00 C ATOM 1668 O ILE A 106 -2.885 -10.254 -0.610 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.778 -7.134 -2.183 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.594 -5.663 -1.801 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.253 -7.500 -2.358 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.696 -4.761 -3.032 1.00 0.00 C ATOM 0 H ILE A 106 -0.366 -6.991 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.573 -7.832 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.294 -7.280 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.351 -5.376 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.623 -5.526 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.710 -6.831 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.333 -8.529 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.768 -7.401 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.562 -3.721 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.922 -5.035 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.677 -4.883 -3.492 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.862 -9.970 -2.607 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.001 -11.361 -3.001 1.00 0.00 C ATOM 1686 C ALA A 107 -1.664 -12.260 -1.810 1.00 0.00 C ATOM 1687 O ALA A 107 -2.520 -12.999 -1.324 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.110 -11.640 -4.213 1.00 0.00 C ATOM 0 H ALA A 107 -1.394 -9.377 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.028 -11.576 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.214 -12.684 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.409 -10.997 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.070 -11.438 -3.955 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.416 -12.169 -1.375 1.00 0.00 N ATOM 1695 CA GLU A 108 0.044 -12.965 -0.250 1.00 0.00 C ATOM 1696 C GLU A 108 -0.961 -12.889 0.901 1.00 0.00 C ATOM 1697 O GLU A 108 -1.502 -13.908 1.326 1.00 0.00 O ATOM 1698 CB GLU A 108 1.435 -12.518 0.206 1.00 0.00 C ATOM 1699 CG GLU A 108 2.486 -12.825 -0.862 1.00 0.00 C ATOM 1700 CD GLU A 108 2.418 -14.291 -1.294 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.757 -15.148 -0.450 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.027 -14.522 -2.459 1.00 0.00 O ATOM 0 H GLU A 108 0.291 -11.556 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 108 0.120 -14.004 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.427 -11.449 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.697 -13.024 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.330 -12.180 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.480 -12.603 -0.474 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.180 -11.670 1.373 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.111 -11.448 2.467 1.00 0.00 C ATOM 1711 C LYS A 109 -3.390 -12.248 2.213 1.00 0.00 C ATOM 1712 O LYS A 109 -3.769 -13.091 3.024 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.352 -9.950 2.669 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.162 -9.293 3.372 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.137 -9.653 4.859 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.306 -9.000 5.600 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.140 -9.150 7.063 1.00 0.00 N ATOM 0 H LYS A 109 -0.729 -10.827 1.018 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.690 -11.809 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.518 -9.471 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.256 -9.800 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.233 -9.615 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.219 -8.211 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.187 -10.736 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.195 -9.328 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.364 -7.943 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.244 -9.457 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.981 -8.777 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.022 -10.156 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.299 -8.622 7.373 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.019 -11.955 1.085 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.248 -12.637 0.715 1.00 0.00 C ATOM 1733 C LYS A 110 -5.039 -14.149 0.822 1.00 0.00 C ATOM 1734 O LYS A 110 -5.851 -14.849 1.425 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.720 -12.178 -0.667 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.952 -12.967 -1.115 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.344 -12.603 -2.549 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.361 -13.843 -3.444 1.00 0.00 C ATOM 1739 NZ LYS A 110 -6.698 -13.559 -4.736 1.00 0.00 N ATOM 0 H LYS A 110 -3.701 -11.255 0.415 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.051 -12.376 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.955 -11.114 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.916 -12.309 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.747 -14.036 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.785 -12.761 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.328 -12.134 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.641 -11.872 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.855 -14.668 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.390 -14.159 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.718 -14.411 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.198 -12.786 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.711 -13.279 -4.566 1.00 0.00 H new ATOM 1753 N SER A 111 -3.947 -14.607 0.229 1.00 0.00 N ATOM 1754 CA SER A 111 -3.622 -16.023 0.251 1.00 0.00 C ATOM 1755 C SER A 111 -3.597 -16.532 1.693 1.00 0.00 C ATOM 1756 O SER A 111 -4.239 -17.531 2.014 1.00 0.00 O ATOM 1757 CB SER A 111 -2.278 -16.290 -0.430 1.00 0.00 C ATOM 1758 OG SER A 111 -2.434 -16.971 -1.672 1.00 0.00 O ATOM 0 H SER A 111 -3.276 -14.023 -0.270 1.00 0.00 H new ATOM 0 HA SER A 111 -4.392 -16.559 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.762 -15.344 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.648 -16.884 0.232 1.00 0.00 H new ATOM 0 HG SER A 111 -1.554 -17.121 -2.076 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.849 -15.822 2.525 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.732 -16.189 3.926 1.00 0.00 C ATOM 1766 C LEU A 112 -4.114 -16.556 4.469 1.00 0.00 C ATOM 1767 O LEU A 112 -4.348 -17.698 4.862 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.035 -15.079 4.714 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.593 -14.769 4.305 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.141 -13.421 4.871 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.348 -15.905 4.709 1.00 0.00 C ATOM 0 H LEU A 112 -2.318 -14.994 2.255 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.101 -17.071 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.623 -14.167 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.042 -15.351 5.770 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.555 -14.691 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.887 -13.225 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.789 -12.631 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.198 -13.446 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.366 -15.659 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.313 -16.039 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.037 -16.827 4.218 1.00 0.00 H new