USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 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 84 HIS :FLIP no HE2:sc= -2.39 F(o=-4.2,f=-2.5) USER MOD Set 1.2: A 99 MET CE :methyl 158:sc= -0.0682 (180deg=-1.1) USER MOD Set 2.1: A 13 THR OG1 : rot 37:sc= 0.779 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0887 K(o=-0.089,f=-0.6) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.0938 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS :FLIP no HD1:sc= -4.6! C(o=-5.8!,f=-4.6!) USER MOD Single : A 33 THR OG1 : rot -100:sc= 0.198 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.669 (180deg=0.63) USER MOD Single : A 36 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.6) USER MOD Single : A 38 CYS SG : rot -110:sc= -2.13 USER MOD Single : A 42 SER OG : rot -80:sc= 0.749 USER MOD Single : A 51 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -1.18 USER MOD Single : A 62 LYS NZ :NH3+ -128:sc= -1.37 (180deg=-2.96!) USER MOD Single : A 65 MET CE :methyl -108:sc= -5.91! (180deg=-8.43!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.54 F(o=-3.3!,f=-1.5) USER MOD Single : A 74 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.15) USER MOD Single : A 75 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3.3!) USER MOD Single : A 76 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 140:sc=-0.00487 (180deg=-1.06) USER MOD Single : A 91 HIS : no HE2:sc= -7.66! C(o=-7.7!,f=-11!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -118:sc= 1.07 USER MOD Single : A 97 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.056) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0.471 (180deg=0.461) 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 -5.186 11.247 7.730 1.00 0.00 N ATOM 143 CA THR A 13 -4.374 10.075 7.449 1.00 0.00 C ATOM 144 C THR A 13 -2.936 10.297 7.922 1.00 0.00 C ATOM 145 O THR A 13 -2.295 11.274 7.535 1.00 0.00 O ATOM 146 CB THR A 13 -4.482 9.773 5.953 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.854 10.010 5.650 1.00 0.00 O ATOM 148 CG2 THR A 13 -4.282 8.289 5.640 1.00 0.00 C ATOM 0 HA THR A 13 -4.733 9.204 7.998 1.00 0.00 H new ATOM 0 HB THR A 13 -3.743 10.361 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.175 10.778 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.369 8.129 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.293 7.977 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.042 7.703 6.156 1.00 0.00 H new ATOM 156 N LEU A 14 -2.470 9.375 8.752 1.00 0.00 N ATOM 157 CA LEU A 14 -1.120 9.458 9.281 1.00 0.00 C ATOM 158 C LEU A 14 -0.242 8.409 8.595 1.00 0.00 C ATOM 159 O LEU A 14 -0.735 7.367 8.165 1.00 0.00 O ATOM 160 CB LEU A 14 -1.134 9.345 10.807 1.00 0.00 C ATOM 161 CG LEU A 14 -2.112 10.267 11.538 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.479 9.699 12.911 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.556 11.689 11.636 1.00 0.00 C ATOM 0 H LEU A 14 -3.004 8.567 9.071 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.684 10.433 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.369 8.314 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.129 9.548 11.176 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.032 10.320 10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.175 10.373 13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.946 8.722 12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.578 9.597 13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.271 12.324 12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.614 11.674 12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.387 12.083 10.634 1.00 0.00 H new ATOM 175 N ILE A 15 1.043 8.720 8.514 1.00 0.00 N ATOM 176 CA ILE A 15 1.994 7.817 7.887 1.00 0.00 C ATOM 177 C ILE A 15 2.029 6.500 8.666 1.00 0.00 C ATOM 178 O ILE A 15 1.931 5.425 8.077 1.00 0.00 O ATOM 179 CB ILE A 15 3.362 8.489 7.753 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.311 7.636 6.909 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.951 8.813 9.127 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.516 8.454 6.443 1.00 0.00 C ATOM 0 H ILE A 15 1.448 9.585 8.872 1.00 0.00 H new ATOM 0 HA ILE A 15 1.681 7.579 6.871 1.00 0.00 H new ATOM 0 HB ILE A 15 3.228 9.436 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.652 6.780 7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.778 7.241 6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.923 9.290 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.281 9.488 9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.069 7.892 9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.174 7.824 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.174 9.295 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.060 8.827 7.311 1.00 0.00 H new ATOM 194 N GLU A 16 2.168 6.629 9.977 1.00 0.00 N ATOM 195 CA GLU A 16 2.217 5.462 10.842 1.00 0.00 C ATOM 196 C GLU A 16 0.873 4.732 10.825 1.00 0.00 C ATOM 197 O GLU A 16 0.786 3.574 11.231 1.00 0.00 O ATOM 198 CB GLU A 16 2.611 5.853 12.267 1.00 0.00 C ATOM 199 CG GLU A 16 4.032 6.420 12.308 1.00 0.00 C ATOM 200 CD GLU A 16 4.996 5.437 12.977 1.00 0.00 C ATOM 201 OE1 GLU A 16 5.478 4.536 12.257 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.228 5.609 14.193 1.00 0.00 O ATOM 0 H GLU A 16 2.248 7.523 10.461 1.00 0.00 H new ATOM 0 HA GLU A 16 2.981 4.784 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.909 6.593 12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.545 4.982 12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.371 6.635 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.035 7.365 12.852 1.00 0.00 H new ATOM 209 N ASP A 17 -0.142 5.439 10.351 1.00 0.00 N ATOM 210 CA ASP A 17 -1.478 4.872 10.276 1.00 0.00 C ATOM 211 C ASP A 17 -1.594 4.014 9.014 1.00 0.00 C ATOM 212 O ASP A 17 -2.295 3.004 9.009 1.00 0.00 O ATOM 213 CB ASP A 17 -2.539 5.972 10.198 1.00 0.00 C ATOM 214 CG ASP A 17 -3.268 6.262 11.511 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.932 5.586 12.508 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.145 7.152 11.490 1.00 0.00 O ATOM 0 H ASP A 17 -0.066 6.399 10.015 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.642 4.275 11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.064 6.890 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.276 5.692 9.445 1.00 0.00 H new ATOM 221 N VAL A 18 -0.895 4.448 7.976 1.00 0.00 N ATOM 222 CA VAL A 18 -0.910 3.732 6.712 1.00 0.00 C ATOM 223 C VAL A 18 0.205 2.683 6.711 1.00 0.00 C ATOM 224 O VAL A 18 0.154 1.720 5.948 1.00 0.00 O ATOM 225 CB VAL A 18 -0.801 4.721 5.549 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.813 3.990 4.205 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.914 5.768 5.614 1.00 0.00 C ATOM 0 H VAL A 18 -0.314 5.287 7.984 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.854 3.203 6.584 1.00 0.00 H new ATOM 0 HB VAL A 18 0.153 5.241 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.734 4.716 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.030 3.301 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.744 3.432 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.813 6.458 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.883 5.272 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.839 6.321 6.551 1.00 0.00 H new ATOM 237 N LEU A 19 1.184 2.907 7.575 1.00 0.00 N ATOM 238 CA LEU A 19 2.309 1.993 7.683 1.00 0.00 C ATOM 239 C LEU A 19 1.989 0.919 8.726 1.00 0.00 C ATOM 240 O LEU A 19 2.361 -0.241 8.560 1.00 0.00 O ATOM 241 CB LEU A 19 3.599 2.763 7.970 1.00 0.00 C ATOM 242 CG LEU A 19 4.314 3.350 6.751 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.343 2.365 6.192 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.309 3.796 5.687 1.00 0.00 C ATOM 0 H LEU A 19 1.222 3.707 8.206 1.00 0.00 H new ATOM 0 HA LEU A 19 2.475 1.480 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.368 3.576 8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.290 2.096 8.486 1.00 0.00 H new ATOM 0 HG LEU A 19 4.859 4.238 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.837 2.807 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.085 2.141 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.841 1.445 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.844 4.209 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.716 2.940 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.650 4.557 6.105 1.00 0.00 H new ATOM 256 N ARG A 20 1.304 1.346 9.776 1.00 0.00 N ATOM 257 CA ARG A 20 0.930 0.435 10.845 1.00 0.00 C ATOM 258 C ARG A 20 0.524 -0.923 10.269 1.00 0.00 C ATOM 259 O ARG A 20 1.040 -1.958 10.687 1.00 0.00 O ATOM 260 CB ARG A 20 -0.230 0.999 11.669 1.00 0.00 C ATOM 261 CG ARG A 20 0.232 1.379 13.077 1.00 0.00 C ATOM 262 CD ARG A 20 0.700 0.145 13.852 1.00 0.00 C ATOM 263 NE ARG A 20 0.935 0.497 15.270 1.00 0.00 N ATOM 264 CZ ARG A 20 1.419 -0.353 16.185 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.724 -1.610 15.836 1.00 0.00 N ATOM 266 NH2 ARG A 20 1.599 0.054 17.449 1.00 0.00 N ATOM 0 H ARG A 20 0.998 2.310 9.910 1.00 0.00 H new ATOM 0 HA ARG A 20 1.797 0.313 11.494 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.644 1.875 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.029 0.261 11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.044 2.103 13.014 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.585 1.862 13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.050 -0.643 13.784 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.616 -0.247 13.409 1.00 0.00 H new ATOM 0 HE ARG A 20 0.714 1.447 15.569 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.588 -1.919 14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.093 -2.258 16.533 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.367 1.011 17.714 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.968 -0.593 18.146 1.00 0.00 H new ATOM 280 N PRO A 21 -0.421 -0.873 9.292 1.00 0.00 N ATOM 281 CA PRO A 21 -0.902 -2.087 8.654 1.00 0.00 C ATOM 282 C PRO A 21 0.134 -2.637 7.671 1.00 0.00 C ATOM 283 O PRO A 21 0.577 -3.777 7.805 1.00 0.00 O ATOM 284 CB PRO A 21 -2.205 -1.687 7.981 1.00 0.00 C ATOM 285 CG PRO A 21 -2.171 -0.171 7.873 1.00 0.00 C ATOM 286 CD PRO A 21 -1.054 0.335 8.771 1.00 0.00 C ATOM 0 HA PRO A 21 -1.067 -2.898 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.293 -2.147 6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.064 -2.018 8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.999 0.134 6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.127 0.255 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.344 0.945 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.445 0.956 9.577 1.00 0.00 H new ATOM 294 N LEU A 22 0.491 -1.801 6.707 1.00 0.00 N ATOM 295 CA LEU A 22 1.466 -2.190 5.703 1.00 0.00 C ATOM 296 C LEU A 22 2.653 -2.872 6.387 1.00 0.00 C ATOM 297 O LEU A 22 3.319 -3.715 5.789 1.00 0.00 O ATOM 298 CB LEU A 22 1.860 -0.987 4.844 1.00 0.00 C ATOM 299 CG LEU A 22 0.912 -0.644 3.694 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.251 0.720 3.091 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.907 -1.752 2.638 1.00 0.00 C ATOM 0 H LEU A 22 0.122 -0.856 6.600 1.00 0.00 H new ATOM 0 HA LEU A 22 1.034 -2.916 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.943 -0.115 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.851 -1.171 4.429 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.099 -0.576 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.562 0.939 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.162 1.489 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.272 0.705 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.225 -1.483 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.913 -1.876 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.580 -2.687 3.093 1.00 0.00 H new ATOM 313 N GLU A 23 2.880 -2.481 7.633 1.00 0.00 N ATOM 314 CA GLU A 23 3.975 -3.044 8.405 1.00 0.00 C ATOM 315 C GLU A 23 3.533 -4.342 9.084 1.00 0.00 C ATOM 316 O GLU A 23 4.248 -5.342 9.046 1.00 0.00 O ATOM 317 CB GLU A 23 4.495 -2.037 9.433 1.00 0.00 C ATOM 318 CG GLU A 23 5.509 -1.083 8.801 1.00 0.00 C ATOM 319 CD GLU A 23 6.388 -0.429 9.870 1.00 0.00 C ATOM 320 OE1 GLU A 23 5.824 0.348 10.671 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.603 -0.722 9.862 1.00 0.00 O ATOM 0 H GLU A 23 2.325 -1.782 8.126 1.00 0.00 H new ATOM 0 HA GLU A 23 4.794 -3.274 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.661 -1.467 9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.959 -2.567 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.135 -1.628 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.985 -0.313 8.235 1.00 0.00 H new ATOM 328 N GLN A 24 2.356 -4.285 9.690 1.00 0.00 N ATOM 329 CA GLN A 24 1.810 -5.443 10.376 1.00 0.00 C ATOM 330 C GLN A 24 1.579 -6.587 9.386 1.00 0.00 C ATOM 331 O GLN A 24 1.639 -7.757 9.759 1.00 0.00 O ATOM 332 CB GLN A 24 0.517 -5.086 11.112 1.00 0.00 C ATOM 333 CG GLN A 24 -0.705 -5.338 10.227 1.00 0.00 C ATOM 334 CD GLN A 24 -1.998 -4.978 10.962 1.00 0.00 C ATOM 335 OE1 GLN A 24 -2.205 -3.857 11.395 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.854 -5.990 11.077 1.00 0.00 N ATOM 0 H GLN A 24 1.765 -3.454 9.720 1.00 0.00 H new ATOM 0 HA GLN A 24 2.534 -5.773 11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.438 -5.678 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.543 -4.039 11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.625 -4.748 9.314 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.732 -6.386 9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.618 -6.904 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.747 -5.852 11.551 1.00 0.00 H new ATOM 345 N ALA A 25 1.321 -6.208 8.143 1.00 0.00 N ATOM 346 CA ALA A 25 1.081 -7.187 7.097 1.00 0.00 C ATOM 347 C ALA A 25 2.394 -7.894 6.756 1.00 0.00 C ATOM 348 O ALA A 25 2.450 -9.123 6.718 1.00 0.00 O ATOM 349 CB ALA A 25 0.459 -6.494 5.882 1.00 0.00 C ATOM 0 H ALA A 25 1.273 -5.236 7.837 1.00 0.00 H new ATOM 0 HA ALA A 25 0.376 -7.946 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.279 -7.228 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.485 -6.032 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.140 -5.727 5.512 1.00 0.00 H new ATOM 355 N LEU A 26 3.418 -7.089 6.516 1.00 0.00 N ATOM 356 CA LEU A 26 4.727 -7.623 6.180 1.00 0.00 C ATOM 357 C LEU A 26 5.074 -8.758 7.145 1.00 0.00 C ATOM 358 O LEU A 26 5.261 -9.899 6.725 1.00 0.00 O ATOM 359 CB LEU A 26 5.770 -6.504 6.147 1.00 0.00 C ATOM 360 CG LEU A 26 7.164 -6.900 5.655 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.118 -7.377 4.203 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.160 -5.755 5.851 1.00 0.00 C ATOM 0 H LEU A 26 3.368 -6.071 6.547 1.00 0.00 H new ATOM 0 HA LEU A 26 4.718 -8.049 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.395 -5.704 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.864 -6.093 7.152 1.00 0.00 H new ATOM 0 HG LEU A 26 7.514 -7.738 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.122 -7.652 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.461 -8.243 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.738 -6.576 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.143 -6.062 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.826 -4.882 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.222 -5.504 6.910 1.00 0.00 H new ATOM 374 N GLU A 27 5.149 -8.406 8.420 1.00 0.00 N ATOM 375 CA GLU A 27 5.469 -9.381 9.448 1.00 0.00 C ATOM 376 C GLU A 27 4.700 -10.681 9.205 1.00 0.00 C ATOM 377 O GLU A 27 5.272 -11.768 9.280 1.00 0.00 O ATOM 378 CB GLU A 27 5.177 -8.823 10.843 1.00 0.00 C ATOM 379 CG GLU A 27 6.176 -7.726 11.215 1.00 0.00 C ATOM 380 CD GLU A 27 6.941 -8.090 12.489 1.00 0.00 C ATOM 381 OE1 GLU A 27 7.920 -8.857 12.363 1.00 0.00 O ATOM 382 OE2 GLU A 27 6.530 -7.594 13.560 1.00 0.00 O ATOM 0 H GLU A 27 4.994 -7.459 8.764 1.00 0.00 H new ATOM 0 HA GLU A 27 6.536 -9.598 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.164 -8.423 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.224 -9.627 11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.878 -7.576 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.649 -6.783 11.360 1.00 0.00 H new ATOM 389 N ASP A 28 3.416 -10.527 8.920 1.00 0.00 N ATOM 390 CA ASP A 28 2.562 -11.675 8.666 1.00 0.00 C ATOM 391 C ASP A 28 3.166 -12.513 7.537 1.00 0.00 C ATOM 392 O ASP A 28 3.166 -13.742 7.603 1.00 0.00 O ATOM 393 CB ASP A 28 1.163 -11.236 8.232 1.00 0.00 C ATOM 394 CG ASP A 28 0.025 -11.719 9.132 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.063 -12.912 9.504 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.858 -10.885 9.429 1.00 0.00 O ATOM 0 H ASP A 28 2.946 -9.624 8.859 1.00 0.00 H new ATOM 0 HA ASP A 28 2.489 -12.252 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.137 -10.147 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.983 -11.597 7.219 1.00 0.00 H new ATOM 401 N CYS A 29 3.666 -11.816 6.527 1.00 0.00 N ATOM 402 CA CYS A 29 4.271 -12.481 5.386 1.00 0.00 C ATOM 403 C CYS A 29 5.596 -13.100 5.837 1.00 0.00 C ATOM 404 O CYS A 29 5.916 -14.228 5.467 1.00 0.00 O ATOM 405 CB CYS A 29 4.461 -11.523 4.208 1.00 0.00 C ATOM 406 SG CYS A 29 2.833 -10.947 3.602 1.00 0.00 S ATOM 0 H CYS A 29 3.664 -10.797 6.475 1.00 0.00 H new ATOM 0 HA CYS A 29 3.607 -13.267 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.066 -10.670 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.001 -12.024 3.405 1.00 0.00 H new ATOM 0 HG CYS A 29 3.005 -10.133 2.604 1.00 0.00 H new ATOM 412 N HIS A 30 6.330 -12.334 6.631 1.00 0.00 N ATOM 413 CA HIS A 30 7.612 -12.793 7.137 1.00 0.00 C ATOM 414 C HIS A 30 7.498 -14.255 7.573 1.00 0.00 C ATOM 415 O HIS A 30 8.266 -15.103 7.120 1.00 0.00 O ATOM 416 CB HIS A 30 8.114 -11.878 8.256 1.00 0.00 C ATOM 417 CG HIS A 30 9.549 -11.439 8.093 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.618 -12.312 8.204 1.00 0.00 N ATOM 419 CD2 HIS A 30 10.081 -10.212 7.826 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.737 -11.630 8.011 1.00 0.00 C ATOM 421 NE2 HIS A 30 11.402 -10.328 7.778 1.00 0.00 N ATOM 0 H HIS A 30 6.061 -11.399 6.936 1.00 0.00 H new ATOM 0 HA HIS A 30 8.358 -12.744 6.344 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.477 -10.994 8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 30 8.009 -12.396 9.209 1.00 0.00 H new ATOM 0 HD2 HIS A 30 9.522 -9.300 7.679 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.739 -12.034 8.034 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.059 -9.569 7.597 1.00 0.00 H new ATOM 429 N GLY A 31 6.534 -14.506 8.446 1.00 0.00 N ATOM 430 CA GLY A 31 6.310 -15.851 8.948 1.00 0.00 C ATOM 431 C GLY A 31 5.300 -16.600 8.077 1.00 0.00 C ATOM 432 O GLY A 31 4.368 -17.216 8.591 1.00 0.00 O ATOM 0 H GLY A 31 5.899 -13.800 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.253 -16.397 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.946 -15.804 9.974 1.00 0.00 H new ATOM 436 N HIS A 32 5.520 -16.523 6.773 1.00 0.00 N ATOM 437 CA HIS A 32 4.640 -17.186 5.825 1.00 0.00 C ATOM 438 C HIS A 32 5.293 -17.200 4.442 1.00 0.00 C ATOM 439 O HIS A 32 5.807 -18.228 4.004 1.00 0.00 O ATOM 440 CB HIS A 32 3.256 -16.534 5.821 1.00 0.00 C ATOM 441 CG HIS A 32 2.284 -17.151 6.798 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.767 -16.670 7.965 1.00 0.00 N flip ATOM 443 CD2 HIS A 32 1.738 -18.411 6.619 1.00 0.00 C flip ATOM 444 CE1 HIS A 32 0.949 -17.585 8.470 1.00 0.00 C flip ATOM 445 NE2 HIS A 32 0.930 -18.665 7.638 1.00 0.00 N flip ATOM 0 H HIS A 32 6.295 -16.012 6.350 1.00 0.00 H new ATOM 0 HA HIS A 32 4.488 -18.222 6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.364 -15.474 6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.837 -16.600 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.937 -19.074 5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.390 -17.490 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.389 -19.519 7.776 1.00 0.00 H new ATOM 453 N THR A 33 5.252 -16.046 3.792 1.00 0.00 N ATOM 454 CA THR A 33 5.834 -15.912 2.467 1.00 0.00 C ATOM 455 C THR A 33 7.354 -16.065 2.534 1.00 0.00 C ATOM 456 O THR A 33 7.968 -15.757 3.554 1.00 0.00 O ATOM 457 CB THR A 33 5.383 -14.570 1.886 1.00 0.00 C ATOM 458 OG1 THR A 33 3.990 -14.748 1.641 1.00 0.00 O ATOM 459 CG2 THR A 33 5.974 -14.303 0.500 1.00 0.00 C ATOM 0 H THR A 33 4.825 -15.195 4.158 1.00 0.00 H new ATOM 0 HA THR A 33 5.489 -16.703 1.802 1.00 0.00 H new ATOM 0 HB THR A 33 5.671 -13.766 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.847 -14.945 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.622 -13.338 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.062 -14.292 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.659 -15.088 -0.187 1.00 0.00 H new ATOM 467 N LYS A 34 7.918 -16.539 1.433 1.00 0.00 N ATOM 468 CA LYS A 34 9.356 -16.736 1.354 1.00 0.00 C ATOM 469 C LYS A 34 10.067 -15.490 1.885 1.00 0.00 C ATOM 470 O LYS A 34 9.432 -14.467 2.132 1.00 0.00 O ATOM 471 CB LYS A 34 9.766 -17.119 -0.069 1.00 0.00 C ATOM 472 CG LYS A 34 9.001 -18.356 -0.547 1.00 0.00 C ATOM 473 CD LYS A 34 9.955 -19.398 -1.135 1.00 0.00 C ATOM 474 CE LYS A 34 9.902 -19.388 -2.664 1.00 0.00 C ATOM 475 NZ LYS A 34 9.202 -20.592 -3.165 1.00 0.00 N ATOM 0 H LYS A 34 7.406 -16.792 0.588 1.00 0.00 H new ATOM 0 HA LYS A 34 9.662 -17.571 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.573 -16.285 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.838 -17.315 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.450 -18.792 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.266 -18.066 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.972 -19.194 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.691 -20.388 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.389 -18.491 -3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.913 -19.353 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.174 -20.570 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.708 -21.444 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.231 -20.609 -2.793 1.00 0.00 H new ATOM 489 N LYS A 35 11.376 -15.618 2.044 1.00 0.00 N ATOM 490 CA LYS A 35 12.181 -14.515 2.541 1.00 0.00 C ATOM 491 C LYS A 35 12.512 -13.570 1.385 1.00 0.00 C ATOM 492 O LYS A 35 12.353 -12.356 1.506 1.00 0.00 O ATOM 493 CB LYS A 35 13.414 -15.041 3.278 1.00 0.00 C ATOM 494 CG LYS A 35 14.301 -13.889 3.755 1.00 0.00 C ATOM 495 CD LYS A 35 13.867 -13.400 5.139 1.00 0.00 C ATOM 496 CE LYS A 35 15.026 -12.717 5.867 1.00 0.00 C ATOM 497 NZ LYS A 35 14.835 -11.250 5.884 1.00 0.00 N ATOM 0 H LYS A 35 11.899 -16.469 1.837 1.00 0.00 H new ATOM 0 HA LYS A 35 11.622 -13.936 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.102 -15.642 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.985 -15.695 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.340 -14.216 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.250 -13.066 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.035 -12.703 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.507 -14.242 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.094 -13.093 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.967 -12.961 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.565 -10.812 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.911 -10.879 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.894 -11.027 6.267 1.00 0.00 H new ATOM 511 N GLN A 36 12.966 -14.161 0.290 1.00 0.00 N ATOM 512 CA GLN A 36 13.321 -13.387 -0.887 1.00 0.00 C ATOM 513 C GLN A 36 12.179 -12.441 -1.264 1.00 0.00 C ATOM 514 O GLN A 36 12.418 -11.328 -1.732 1.00 0.00 O ATOM 515 CB GLN A 36 13.683 -14.303 -2.058 1.00 0.00 C ATOM 516 CG GLN A 36 15.200 -14.413 -2.219 1.00 0.00 C ATOM 517 CD GLN A 36 15.802 -13.081 -2.670 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.117 -12.083 -2.829 1.00 0.00 O ATOM 519 NE2 GLN A 36 17.116 -13.120 -2.868 1.00 0.00 N ATOM 0 H GLN A 36 13.096 -15.168 0.193 1.00 0.00 H new ATOM 0 HA GLN A 36 14.201 -12.788 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.258 -15.293 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.243 -13.915 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.648 -14.717 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.437 -15.188 -2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.629 -13.988 -2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.611 -12.281 -3.171 1.00 0.00 H new ATOM 528 N VAL A 37 10.962 -12.917 -1.046 1.00 0.00 N ATOM 529 CA VAL A 37 9.782 -12.127 -1.356 1.00 0.00 C ATOM 530 C VAL A 37 9.589 -11.061 -0.277 1.00 0.00 C ATOM 531 O VAL A 37 9.497 -9.873 -0.582 1.00 0.00 O ATOM 532 CB VAL A 37 8.567 -13.043 -1.517 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.294 -12.228 -1.754 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.788 -14.055 -2.644 1.00 0.00 C ATOM 0 H VAL A 37 10.767 -13.840 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 37 9.909 -11.608 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 37 8.441 -13.599 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.445 -12.903 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.122 -11.566 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.406 -11.634 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.910 -14.694 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.952 -13.525 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.660 -14.668 -2.416 1.00 0.00 H new ATOM 544 N CYS A 38 9.533 -11.524 0.964 1.00 0.00 N ATOM 545 CA CYS A 38 9.352 -10.624 2.090 1.00 0.00 C ATOM 546 C CYS A 38 10.419 -9.531 2.009 1.00 0.00 C ATOM 547 O CYS A 38 10.133 -8.360 2.252 1.00 0.00 O ATOM 548 CB CYS A 38 9.401 -11.372 3.425 1.00 0.00 C ATOM 549 SG CYS A 38 7.960 -10.911 4.454 1.00 0.00 S ATOM 0 H CYS A 38 9.610 -12.510 1.214 1.00 0.00 H new ATOM 0 HA CYS A 38 8.363 -10.168 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.403 -12.448 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.325 -11.133 3.951 1.00 0.00 H new ATOM 0 HG CYS A 38 8.359 -10.196 5.464 1.00 0.00 H new ATOM 555 N ASP A 39 11.627 -9.953 1.667 1.00 0.00 N ATOM 556 CA ASP A 39 12.739 -9.025 1.550 1.00 0.00 C ATOM 557 C ASP A 39 12.460 -8.042 0.411 1.00 0.00 C ATOM 558 O ASP A 39 12.885 -6.889 0.463 1.00 0.00 O ATOM 559 CB ASP A 39 14.041 -9.762 1.231 1.00 0.00 C ATOM 560 CG ASP A 39 15.056 -9.807 2.374 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.686 -8.754 2.616 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.179 -10.893 2.981 1.00 0.00 O ATOM 0 H ASP A 39 11.860 -10.926 1.467 1.00 0.00 H new ATOM 0 HA ASP A 39 12.844 -8.504 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.800 -10.784 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.508 -9.286 0.369 1.00 0.00 H new ATOM 567 N ASP A 40 11.747 -8.535 -0.591 1.00 0.00 N ATOM 568 CA ASP A 40 11.407 -7.714 -1.741 1.00 0.00 C ATOM 569 C ASP A 40 10.362 -6.676 -1.330 1.00 0.00 C ATOM 570 O ASP A 40 10.606 -5.474 -1.422 1.00 0.00 O ATOM 571 CB ASP A 40 10.812 -8.563 -2.866 1.00 0.00 C ATOM 572 CG ASP A 40 10.886 -7.935 -4.259 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.847 -7.167 -4.485 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.981 -8.236 -5.067 1.00 0.00 O ATOM 0 H ASP A 40 11.396 -9.492 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 40 12.320 -7.234 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.329 -9.522 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.768 -8.769 -2.632 1.00 0.00 H new ATOM 579 N ILE A 41 9.219 -7.177 -0.884 1.00 0.00 N ATOM 580 CA ILE A 41 8.136 -6.307 -0.458 1.00 0.00 C ATOM 581 C ILE A 41 8.681 -5.260 0.514 1.00 0.00 C ATOM 582 O ILE A 41 8.613 -4.062 0.244 1.00 0.00 O ATOM 583 CB ILE A 41 6.979 -7.131 0.110 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.288 -7.940 -0.990 1.00 0.00 C ATOM 585 CG2 ILE A 41 5.994 -6.242 0.872 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.632 -9.197 -0.416 1.00 0.00 C ATOM 0 H ILE A 41 9.020 -8.174 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 41 7.724 -5.767 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 41 7.388 -7.845 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.534 -7.324 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.016 -8.221 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.181 -6.853 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.510 -5.751 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.588 -5.488 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.148 -9.754 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.392 -9.822 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.888 -8.912 0.328 1.00 0.00 H new ATOM 598 N SER A 42 9.209 -5.749 1.626 1.00 0.00 N ATOM 599 CA SER A 42 9.766 -4.870 2.640 1.00 0.00 C ATOM 600 C SER A 42 10.580 -3.757 1.978 1.00 0.00 C ATOM 601 O SER A 42 10.334 -2.576 2.218 1.00 0.00 O ATOM 602 CB SER A 42 10.637 -5.650 3.627 1.00 0.00 C ATOM 603 OG SER A 42 11.642 -6.413 2.965 1.00 0.00 O ATOM 0 H SER A 42 9.263 -6.743 1.847 1.00 0.00 H new ATOM 0 HA SER A 42 8.942 -4.426 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.108 -4.955 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.008 -6.315 4.219 1.00 0.00 H new ATOM 0 HG SER A 42 11.250 -7.243 2.621 1.00 0.00 H new ATOM 609 N ARG A 43 11.535 -4.173 1.158 1.00 0.00 N ATOM 610 CA ARG A 43 12.387 -3.226 0.460 1.00 0.00 C ATOM 611 C ARG A 43 11.552 -2.070 -0.096 1.00 0.00 C ATOM 612 O ARG A 43 12.012 -0.930 -0.137 1.00 0.00 O ATOM 613 CB ARG A 43 13.137 -3.903 -0.688 1.00 0.00 C ATOM 614 CG ARG A 43 14.639 -3.961 -0.403 1.00 0.00 C ATOM 615 CD ARG A 43 15.450 -3.717 -1.677 1.00 0.00 C ATOM 616 NE ARG A 43 16.891 -3.916 -1.407 1.00 0.00 N ATOM 617 CZ ARG A 43 17.839 -3.929 -2.354 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.503 -3.756 -3.640 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.122 -4.117 -2.016 1.00 0.00 N ATOM 0 H ARG A 43 11.737 -5.153 0.962 1.00 0.00 H new ATOM 0 HA ARG A 43 13.113 -2.842 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.752 -4.912 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.960 -3.357 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.899 -3.214 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.896 -4.934 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.122 -4.398 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.276 -2.704 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 43 17.181 -4.052 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.526 -3.615 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.224 -3.766 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.377 -4.250 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.843 -4.127 -2.737 1.00 0.00 H new ATOM 633 N ARG A 44 10.339 -2.405 -0.511 1.00 0.00 N ATOM 634 CA ARG A 44 9.435 -1.410 -1.063 1.00 0.00 C ATOM 635 C ARG A 44 8.927 -0.483 0.043 1.00 0.00 C ATOM 636 O ARG A 44 9.005 0.738 -0.082 1.00 0.00 O ATOM 637 CB ARG A 44 8.241 -2.073 -1.753 1.00 0.00 C ATOM 638 CG ARG A 44 8.705 -3.113 -2.774 1.00 0.00 C ATOM 639 CD ARG A 44 9.450 -2.449 -3.934 1.00 0.00 C ATOM 640 NE ARG A 44 10.678 -3.211 -4.250 1.00 0.00 N ATOM 641 CZ ARG A 44 11.419 -3.020 -5.350 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.060 -2.089 -6.246 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.518 -3.759 -5.555 1.00 0.00 N ATOM 0 H ARG A 44 9.961 -3.352 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 44 9.990 -0.830 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.604 -2.549 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.637 -1.314 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.356 -3.840 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.844 -3.661 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.805 -2.402 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.707 -1.423 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 44 10.980 -3.927 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.223 -1.527 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.624 -1.943 -7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.791 -4.467 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.082 -3.613 -6.392 1.00 0.00 H new ATOM 657 N LEU A 45 8.418 -1.098 1.100 1.00 0.00 N ATOM 658 CA LEU A 45 7.898 -0.343 2.227 1.00 0.00 C ATOM 659 C LEU A 45 8.854 0.807 2.549 1.00 0.00 C ATOM 660 O LEU A 45 8.430 1.956 2.668 1.00 0.00 O ATOM 661 CB LEU A 45 7.628 -1.270 3.414 1.00 0.00 C ATOM 662 CG LEU A 45 6.799 -2.520 3.113 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.333 -3.193 4.406 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.628 -2.192 2.184 1.00 0.00 C ATOM 0 H LEU A 45 8.355 -2.111 1.200 1.00 0.00 H new ATOM 0 HA LEU A 45 6.936 0.103 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.586 -1.584 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.117 -0.697 4.188 1.00 0.00 H new ATOM 0 HG LEU A 45 7.435 -3.233 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.746 -4.079 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.201 -3.483 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.720 -2.497 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.055 -3.098 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.984 -1.452 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.010 -1.792 1.245 1.00 0.00 H new ATOM 676 N ALA A 46 10.125 0.458 2.682 1.00 0.00 N ATOM 677 CA ALA A 46 11.144 1.447 2.989 1.00 0.00 C ATOM 678 C ALA A 46 10.986 2.645 2.050 1.00 0.00 C ATOM 679 O ALA A 46 11.041 3.793 2.488 1.00 0.00 O ATOM 680 CB ALA A 46 12.528 0.804 2.885 1.00 0.00 C ATOM 0 H ALA A 46 10.472 -0.496 2.583 1.00 0.00 H new ATOM 0 HA ALA A 46 11.029 1.811 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.292 1.546 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.599 -0.022 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.680 0.429 1.873 1.00 0.00 H new ATOM 686 N LEU A 47 10.792 2.335 0.776 1.00 0.00 N ATOM 687 CA LEU A 47 10.625 3.372 -0.228 1.00 0.00 C ATOM 688 C LEU A 47 9.291 4.086 -0.001 1.00 0.00 C ATOM 689 O LEU A 47 9.211 5.308 -0.114 1.00 0.00 O ATOM 690 CB LEU A 47 10.777 2.785 -1.633 1.00 0.00 C ATOM 691 CG LEU A 47 11.168 3.774 -2.734 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.230 3.081 -4.096 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.227 4.980 -2.747 1.00 0.00 C ATOM 0 H LEU A 47 10.747 1.381 0.417 1.00 0.00 H new ATOM 0 HA LEU A 47 11.409 4.124 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.529 1.996 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.834 2.314 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 47 12.168 4.149 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.510 3.806 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.971 2.282 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.253 2.660 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.527 5.667 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.206 4.643 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.277 5.491 -1.785 1.00 0.00 H new ATOM 705 N LEU A 48 8.278 3.293 0.314 1.00 0.00 N ATOM 706 CA LEU A 48 6.952 3.835 0.558 1.00 0.00 C ATOM 707 C LEU A 48 7.036 4.907 1.646 1.00 0.00 C ATOM 708 O LEU A 48 6.726 6.072 1.400 1.00 0.00 O ATOM 709 CB LEU A 48 5.964 2.711 0.878 1.00 0.00 C ATOM 710 CG LEU A 48 4.657 3.137 1.548 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.914 4.167 0.695 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.783 1.922 1.868 1.00 0.00 C ATOM 0 H LEU A 48 8.348 2.280 0.406 1.00 0.00 H new ATOM 0 HA LEU A 48 6.568 4.320 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.721 2.193 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.463 1.989 1.525 1.00 0.00 H new ATOM 0 HG LEU A 48 4.900 3.618 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.988 4.453 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.541 5.048 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.683 3.734 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.860 2.253 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.546 1.391 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.320 1.255 2.543 1.00 0.00 H new ATOM 724 N ARG A 49 7.455 4.476 2.826 1.00 0.00 N ATOM 725 CA ARG A 49 7.584 5.384 3.953 1.00 0.00 C ATOM 726 C ARG A 49 8.403 6.613 3.553 1.00 0.00 C ATOM 727 O ARG A 49 7.908 7.738 3.608 1.00 0.00 O ATOM 728 CB ARG A 49 8.257 4.696 5.142 1.00 0.00 C ATOM 729 CG ARG A 49 8.550 5.697 6.261 1.00 0.00 C ATOM 730 CD ARG A 49 9.284 5.023 7.422 1.00 0.00 C ATOM 731 NE ARG A 49 9.823 6.047 8.344 1.00 0.00 N ATOM 732 CZ ARG A 49 10.622 5.775 9.385 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.980 4.510 9.642 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.064 6.769 10.168 1.00 0.00 N ATOM 0 H ARG A 49 7.710 3.509 3.027 1.00 0.00 H new ATOM 0 HA ARG A 49 6.580 5.691 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.613 3.902 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.185 4.226 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.154 6.517 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.616 6.131 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.603 4.362 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.095 4.404 7.039 1.00 0.00 H new ATOM 0 HE ARG A 49 9.571 7.021 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.644 3.754 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.588 4.303 10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.792 7.732 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.672 6.562 10.960 1.00 0.00 H new ATOM 748 N GLU A 50 9.642 6.357 3.160 1.00 0.00 N ATOM 749 CA GLU A 50 10.534 7.428 2.751 1.00 0.00 C ATOM 750 C GLU A 50 9.788 8.435 1.874 1.00 0.00 C ATOM 751 O GLU A 50 9.777 9.630 2.165 1.00 0.00 O ATOM 752 CB GLU A 50 11.761 6.872 2.025 1.00 0.00 C ATOM 753 CG GLU A 50 12.769 6.291 3.019 1.00 0.00 C ATOM 754 CD GLU A 50 13.115 7.309 4.107 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.214 8.504 3.756 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.272 6.869 5.267 1.00 0.00 O ATOM 0 H GLU A 50 10.049 5.423 3.116 1.00 0.00 H new ATOM 0 HA GLU A 50 10.884 7.944 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.452 6.099 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.233 7.663 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.357 5.391 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.676 5.995 2.492 1.00 0.00 H new ATOM 763 N GLN A 51 9.181 7.915 0.817 1.00 0.00 N ATOM 764 CA GLN A 51 8.434 8.754 -0.105 1.00 0.00 C ATOM 765 C GLN A 51 7.283 9.450 0.624 1.00 0.00 C ATOM 766 O GLN A 51 6.989 10.614 0.360 1.00 0.00 O ATOM 767 CB GLN A 51 7.917 7.939 -1.292 1.00 0.00 C ATOM 768 CG GLN A 51 8.700 8.268 -2.565 1.00 0.00 C ATOM 769 CD GLN A 51 7.783 8.261 -3.790 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.229 9.272 -4.189 1.00 0.00 O ATOM 771 NE2 GLN A 51 7.655 7.067 -4.363 1.00 0.00 N ATOM 0 H GLN A 51 9.191 6.923 0.579 1.00 0.00 H new ATOM 0 HA GLN A 51 9.106 9.518 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.003 6.875 -1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.859 8.148 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.171 9.246 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.501 7.541 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.147 6.261 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.065 6.958 -5.188 1.00 0.00 H new ATOM 780 N TRP A 52 6.662 8.706 1.529 1.00 0.00 N ATOM 781 CA TRP A 52 5.550 9.237 2.298 1.00 0.00 C ATOM 782 C TRP A 52 6.086 10.356 3.194 1.00 0.00 C ATOM 783 O TRP A 52 5.745 11.523 3.007 1.00 0.00 O ATOM 784 CB TRP A 52 4.848 8.128 3.084 1.00 0.00 C ATOM 785 CG TRP A 52 3.497 8.541 3.672 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.229 9.585 4.468 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.233 7.872 3.477 1.00 0.00 C ATOM 788 NE1 TRP A 52 1.890 9.638 4.799 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.265 8.563 4.177 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.919 6.721 2.733 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.081 8.181 4.203 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.568 6.352 2.769 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.418 7.037 3.469 1.00 0.00 C ATOM 0 H TRP A 52 6.908 7.740 1.746 1.00 0.00 H new ATOM 0 HA TRP A 52 4.789 9.653 1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.700 7.270 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.501 7.802 3.894 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.968 10.296 4.808 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.442 10.337 5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.660 6.166 2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.820 8.738 4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.272 5.474 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.440 6.688 3.447 1.00 0.00 H new ATOM 804 N ALA A 53 6.917 9.961 4.147 1.00 0.00 N ATOM 805 CA ALA A 53 7.503 10.916 5.072 1.00 0.00 C ATOM 806 C ALA A 53 8.123 12.070 4.282 1.00 0.00 C ATOM 807 O ALA A 53 7.741 13.225 4.461 1.00 0.00 O ATOM 808 CB ALA A 53 8.524 10.204 5.962 1.00 0.00 C ATOM 0 H ALA A 53 7.199 8.992 4.299 1.00 0.00 H new ATOM 0 HA ALA A 53 6.738 11.337 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.964 10.920 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.028 9.412 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.309 9.771 5.341 1.00 0.00 H new ATOM 814 N GLY A 54 9.069 11.717 3.424 1.00 0.00 N ATOM 815 CA GLY A 54 9.745 12.709 2.606 1.00 0.00 C ATOM 816 C GLY A 54 8.765 13.778 2.118 1.00 0.00 C ATOM 817 O GLY A 54 9.096 14.963 2.093 1.00 0.00 O ATOM 0 H GLY A 54 9.383 10.758 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.543 13.178 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.213 12.222 1.751 1.00 0.00 H new ATOM 821 N GLY A 55 7.580 13.321 1.743 1.00 0.00 N ATOM 822 CA GLY A 55 6.550 14.224 1.258 1.00 0.00 C ATOM 823 C GLY A 55 6.449 14.171 -0.268 1.00 0.00 C ATOM 824 O GLY A 55 5.807 15.023 -0.881 1.00 0.00 O ATOM 0 H GLY A 55 7.310 12.338 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.590 13.957 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.775 15.242 1.576 1.00 0.00 H new ATOM 828 N LYS A 56 7.092 13.163 -0.837 1.00 0.00 N ATOM 829 CA LYS A 56 7.083 12.988 -2.280 1.00 0.00 C ATOM 830 C LYS A 56 5.699 12.508 -2.722 1.00 0.00 C ATOM 831 O LYS A 56 5.293 12.739 -3.860 1.00 0.00 O ATOM 832 CB LYS A 56 8.223 12.064 -2.715 1.00 0.00 C ATOM 833 CG LYS A 56 9.582 12.737 -2.513 1.00 0.00 C ATOM 834 CD LYS A 56 10.111 12.489 -1.099 1.00 0.00 C ATOM 835 CE LYS A 56 11.572 12.928 -0.975 1.00 0.00 C ATOM 836 NZ LYS A 56 12.474 11.758 -1.063 1.00 0.00 N ATOM 0 H LYS A 56 7.623 12.458 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 56 7.266 13.939 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.183 11.137 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.098 11.796 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.294 12.354 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.491 13.809 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.501 13.034 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.024 11.430 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.812 13.640 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.724 13.441 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.461 12.074 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.255 11.092 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.340 11.285 -1.979 1.00 0.00 H new ATOM 850 N LEU A 57 5.014 11.849 -1.800 1.00 0.00 N ATOM 851 CA LEU A 57 3.684 11.335 -2.081 1.00 0.00 C ATOM 852 C LEU A 57 2.688 12.496 -2.108 1.00 0.00 C ATOM 853 O LEU A 57 2.857 13.480 -1.389 1.00 0.00 O ATOM 854 CB LEU A 57 3.315 10.232 -1.087 1.00 0.00 C ATOM 855 CG LEU A 57 4.274 9.041 -1.019 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.713 7.935 -0.125 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.612 8.530 -2.421 1.00 0.00 C ATOM 0 H LEU A 57 5.355 11.659 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 57 3.657 10.868 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.246 10.674 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.322 9.860 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 57 5.206 9.378 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.414 7.101 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.565 8.322 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.759 7.592 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.295 7.684 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.698 8.214 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.085 9.327 -2.995 1.00 0.00 H new ATOM 869 N SER A 58 1.672 12.343 -2.944 1.00 0.00 N ATOM 870 CA SER A 58 0.649 13.367 -3.075 1.00 0.00 C ATOM 871 C SER A 58 -0.376 13.229 -1.947 1.00 0.00 C ATOM 872 O SER A 58 -0.630 12.125 -1.466 1.00 0.00 O ATOM 873 CB SER A 58 -0.044 13.282 -4.436 1.00 0.00 C ATOM 874 OG SER A 58 0.817 12.757 -5.442 1.00 0.00 O ATOM 0 H SER A 58 1.535 11.525 -3.538 1.00 0.00 H new ATOM 0 HA SER A 58 1.130 14.343 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.930 12.653 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.384 14.274 -4.732 1.00 0.00 H new ATOM 0 HG SER A 58 0.337 12.717 -6.295 1.00 0.00 H new ATOM 880 N ILE A 59 -0.937 14.364 -1.558 1.00 0.00 N ATOM 881 CA ILE A 59 -1.928 14.384 -0.496 1.00 0.00 C ATOM 882 C ILE A 59 -3.067 13.425 -0.850 1.00 0.00 C ATOM 883 O ILE A 59 -3.509 12.644 -0.008 1.00 0.00 O ATOM 884 CB ILE A 59 -2.393 15.816 -0.223 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.358 16.579 0.606 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.775 15.828 0.432 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.232 18.027 0.127 1.00 0.00 C ATOM 0 H ILE A 59 -0.724 15.277 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.492 14.032 0.439 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.486 16.334 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.646 16.564 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.390 16.082 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.082 16.858 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.495 15.347 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.734 15.288 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.490 18.547 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.921 18.039 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.195 18.528 0.224 1.00 0.00 H new ATOM 899 N PRO A 60 -3.520 13.517 -2.128 1.00 0.00 N ATOM 900 CA PRO A 60 -4.599 12.667 -2.603 1.00 0.00 C ATOM 901 C PRO A 60 -4.105 11.239 -2.845 1.00 0.00 C ATOM 902 O PRO A 60 -4.897 10.349 -3.150 1.00 0.00 O ATOM 903 CB PRO A 60 -5.104 13.343 -3.867 1.00 0.00 C ATOM 904 CG PRO A 60 -3.996 14.286 -4.308 1.00 0.00 C ATOM 905 CD PRO A 60 -3.020 14.430 -3.152 1.00 0.00 C ATOM 0 HA PRO A 60 -5.404 12.561 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.323 12.608 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.028 13.889 -3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.489 13.893 -5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.408 15.257 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.006 14.168 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.988 15.456 -2.786 1.00 0.00 H new ATOM 913 N VAL A 61 -2.800 11.066 -2.699 1.00 0.00 N ATOM 914 CA VAL A 61 -2.192 9.761 -2.898 1.00 0.00 C ATOM 915 C VAL A 61 -2.129 9.023 -1.559 1.00 0.00 C ATOM 916 O VAL A 61 -2.022 7.798 -1.526 1.00 0.00 O ATOM 917 CB VAL A 61 -0.821 9.918 -3.559 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.125 8.793 -3.133 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.950 9.979 -5.082 1.00 0.00 C ATOM 0 H VAL A 61 -2.147 11.807 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.797 9.157 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.393 10.862 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.092 8.928 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.254 8.816 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.297 7.832 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.039 10.091 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.410 9.060 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.571 10.830 -5.361 1.00 0.00 H new ATOM 929 N LYS A 62 -2.200 9.800 -0.488 1.00 0.00 N ATOM 930 CA LYS A 62 -2.152 9.235 0.850 1.00 0.00 C ATOM 931 C LYS A 62 -3.571 8.882 1.300 1.00 0.00 C ATOM 932 O LYS A 62 -3.813 7.784 1.799 1.00 0.00 O ATOM 933 CB LYS A 62 -1.421 10.180 1.805 1.00 0.00 C ATOM 934 CG LYS A 62 -0.561 11.183 1.033 1.00 0.00 C ATOM 935 CD LYS A 62 0.492 11.818 1.943 1.00 0.00 C ATOM 936 CE LYS A 62 1.553 12.555 1.123 1.00 0.00 C ATOM 937 NZ LYS A 62 1.117 13.941 0.839 1.00 0.00 N ATOM 0 H LYS A 62 -2.290 10.816 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.576 8.309 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.146 10.714 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.792 9.603 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.071 10.681 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.196 11.960 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.011 12.513 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.967 11.047 2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.497 12.569 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.732 12.025 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.190 14.126 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.130 14.064 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.724 14.609 1.356 1.00 0.00 H new ATOM 951 N LYS A 63 -4.473 9.834 1.109 1.00 0.00 N ATOM 952 CA LYS A 63 -5.861 9.638 1.489 1.00 0.00 C ATOM 953 C LYS A 63 -6.425 8.429 0.739 1.00 0.00 C ATOM 954 O LYS A 63 -7.322 7.749 1.235 1.00 0.00 O ATOM 955 CB LYS A 63 -6.662 10.923 1.275 1.00 0.00 C ATOM 956 CG LYS A 63 -7.195 11.465 2.603 1.00 0.00 C ATOM 957 CD LYS A 63 -6.989 12.978 2.700 1.00 0.00 C ATOM 958 CE LYS A 63 -5.516 13.316 2.944 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.289 13.643 4.369 1.00 0.00 N ATOM 0 H LYS A 63 -4.269 10.744 0.696 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.937 9.417 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.031 11.674 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.493 10.729 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.256 11.232 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.687 10.971 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.328 13.455 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.597 13.380 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.890 12.472 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.222 14.160 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.285 13.870 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.872 14.462 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.550 12.827 4.958 1.00 0.00 H new ATOM 973 N ARG A 64 -5.876 8.199 -0.445 1.00 0.00 N ATOM 974 CA ARG A 64 -6.313 7.085 -1.269 1.00 0.00 C ATOM 975 C ARG A 64 -5.727 5.773 -0.741 1.00 0.00 C ATOM 976 O ARG A 64 -6.437 4.776 -0.622 1.00 0.00 O ATOM 977 CB ARG A 64 -5.886 7.276 -2.725 1.00 0.00 C ATOM 978 CG ARG A 64 -7.098 7.259 -3.659 1.00 0.00 C ATOM 979 CD ARG A 64 -6.847 8.119 -4.899 1.00 0.00 C ATOM 980 NE ARG A 64 -8.088 8.228 -5.699 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.124 8.618 -6.980 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.988 8.938 -7.615 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.295 8.688 -7.627 1.00 0.00 N ATOM 0 H ARG A 64 -5.132 8.765 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.401 7.046 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.354 8.222 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.191 6.486 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.315 6.234 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.976 7.627 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.508 9.111 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.053 7.679 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.971 7.991 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.096 8.885 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.015 9.235 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.160 8.444 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.322 8.985 -8.602 1.00 0.00 H new ATOM 997 N MET A 65 -4.438 5.817 -0.439 1.00 0.00 N ATOM 998 CA MET A 65 -3.749 4.645 0.073 1.00 0.00 C ATOM 999 C MET A 65 -4.481 4.065 1.285 1.00 0.00 C ATOM 1000 O MET A 65 -4.882 2.902 1.274 1.00 0.00 O ATOM 1001 CB MET A 65 -2.322 5.024 0.472 1.00 0.00 C ATOM 1002 CG MET A 65 -1.305 4.447 -0.515 1.00 0.00 C ATOM 1003 SD MET A 65 0.020 3.645 0.372 1.00 0.00 S ATOM 1004 CE MET A 65 -0.781 2.110 0.804 1.00 0.00 C ATOM 0 H MET A 65 -3.852 6.646 -0.539 1.00 0.00 H new ATOM 0 HA MET A 65 -3.727 3.889 -0.711 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.226 6.109 0.506 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.111 4.654 1.475 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.794 3.733 -1.178 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.904 5.242 -1.143 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.996 2.100 1.873 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.712 2.016 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.124 1.275 0.558 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.632 4.901 2.301 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.309 4.486 3.518 1.00 0.00 C ATOM 1016 C ALA A 66 -6.511 3.613 3.156 1.00 0.00 C ATOM 1017 O ALA A 66 -6.835 2.667 3.872 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.708 5.722 4.327 1.00 0.00 C ATOM 0 H ALA A 66 -4.297 5.864 2.307 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.644 3.888 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.216 5.411 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.815 6.292 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.377 6.345 3.734 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.141 3.961 2.043 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.301 3.221 1.577 1.00 0.00 C ATOM 1026 C LEU A 67 -7.892 1.777 1.276 1.00 0.00 C ATOM 1027 O LEU A 67 -8.385 0.844 1.908 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.952 3.935 0.391 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.080 5.455 0.512 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.015 6.014 -0.563 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.521 5.858 1.920 1.00 0.00 C ATOM 0 H LEU A 67 -6.870 4.746 1.451 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.065 3.182 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.374 3.709 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.948 3.517 0.243 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.097 5.895 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.088 7.096 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.619 5.774 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.004 5.570 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.604 6.943 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.489 5.407 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.785 5.511 2.645 1.00 0.00 H new ATOM 1043 N LEU A 68 -6.995 1.639 0.311 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.515 0.325 -0.082 1.00 0.00 C ATOM 1045 C LEU A 68 -6.141 -0.471 1.170 1.00 0.00 C ATOM 1046 O LEU A 68 -6.310 -1.689 1.209 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.374 0.452 -1.093 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.211 -0.527 -0.919 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.349 -0.585 -2.181 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.386 -0.183 0.323 1.00 0.00 C ATOM 0 H LEU A 68 -6.588 2.415 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.301 -0.232 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.786 0.322 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.980 1.467 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.624 -1.524 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.530 -1.288 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.958 -0.913 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.944 0.405 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.566 -0.894 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.983 0.825 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.021 -0.234 1.207 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.640 0.249 2.163 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.241 -0.375 3.413 1.00 0.00 C ATOM 1064 C VAL A 69 -6.490 -0.790 4.193 1.00 0.00 C ATOM 1065 O VAL A 69 -6.681 -1.969 4.485 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.330 0.568 4.201 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.063 0.025 5.607 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.019 0.818 3.453 1.00 0.00 C ATOM 0 H VAL A 69 -5.501 1.259 2.127 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.663 -1.279 3.221 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.845 1.523 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.413 0.714 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.007 -0.078 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.579 -0.949 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.390 1.492 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.498 -0.128 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.233 1.269 2.484 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.309 0.203 4.508 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.535 -0.044 5.248 1.00 0.00 C ATOM 1080 C GLN A 70 -9.218 -1.313 4.735 1.00 0.00 C ATOM 1081 O GLN A 70 -9.778 -2.080 5.517 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.477 1.159 5.164 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.987 2.303 6.054 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.123 1.942 7.535 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -7.997 1.503 8.090 1.00 0.00 O flip ATOM 1086 NE2 GLN A 70 -10.179 2.056 8.133 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.148 1.180 4.264 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.280 -0.192 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.545 1.501 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.481 0.861 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.945 2.526 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.561 3.205 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.007 2.400 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.235 1.808 9.121 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.150 -1.495 3.424 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.755 -2.658 2.798 1.00 0.00 C ATOM 1097 C GLU A 71 -9.025 -3.932 3.227 1.00 0.00 C ATOM 1098 O GLU A 71 -9.653 -4.892 3.670 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.764 -2.517 1.274 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.390 -1.187 0.850 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.911 -1.310 0.730 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.474 -2.137 1.479 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.475 -0.574 -0.108 1.00 0.00 O ATOM 0 H GLU A 71 -8.685 -0.856 2.779 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.791 -2.728 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.745 -2.581 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.322 -3.343 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.140 -0.415 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.971 -0.872 -0.105 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.709 -3.899 3.080 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.886 -5.040 3.447 1.00 0.00 C ATOM 1112 C LEU A 72 -7.175 -5.425 4.899 1.00 0.00 C ATOM 1113 O LEU A 72 -7.016 -6.584 5.280 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.410 -4.746 3.170 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.494 -5.967 3.058 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.526 -5.819 1.882 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.760 -6.224 4.376 1.00 0.00 C ATOM 0 H LEU A 72 -7.192 -3.101 2.712 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.136 -5.905 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.341 -4.178 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.032 -4.104 3.966 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.113 -6.842 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.886 -6.700 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.092 -5.720 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.910 -4.932 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.116 -7.097 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.154 -5.355 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.487 -6.404 5.168 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.594 -4.432 5.669 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.907 -4.653 7.071 1.00 0.00 C ATOM 1131 C LEU A 73 -9.190 -5.479 7.179 1.00 0.00 C ATOM 1132 O LEU A 73 -9.255 -6.435 7.951 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.967 -3.322 7.823 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.637 -2.586 7.991 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.864 -1.130 8.402 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.723 -3.322 8.973 1.00 0.00 C ATOM 0 H LEU A 73 -7.724 -3.472 5.349 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.116 -5.229 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.661 -2.663 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.386 -3.505 8.813 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.130 -2.573 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.902 -0.630 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.449 -0.623 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.402 -1.099 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.784 -2.778 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.211 -3.387 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.522 -4.326 8.600 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.180 -5.081 6.393 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.458 -5.773 6.390 1.00 0.00 C ATOM 1150 C HIS A 74 -11.349 -7.049 5.554 1.00 0.00 C ATOM 1151 O HIS A 74 -12.311 -7.807 5.443 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.577 -4.845 5.913 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.439 -4.300 7.026 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.614 -3.607 6.793 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -13.286 -4.353 8.381 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -15.136 -3.263 7.962 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -14.311 -3.726 8.944 1.00 0.00 N ATOM 0 H HIS A 74 -10.123 -4.288 5.754 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.718 -6.068 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.136 -4.011 5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.209 -5.387 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.469 -4.825 8.906 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -16.053 -2.713 8.110 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -14.458 -3.610 9.947 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.168 -7.248 4.987 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.921 -8.419 4.164 1.00 0.00 C ATOM 1167 C HIS A 75 -10.306 -8.119 2.714 1.00 0.00 C ATOM 1168 O HIS A 75 -10.110 -8.952 1.830 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.646 -9.643 4.728 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.694 -9.686 6.237 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.799 -10.136 6.939 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.763 -9.332 7.169 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.534 -10.051 8.234 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -10.272 -9.552 8.375 1.00 0.00 N ATOM 0 H HIS A 75 -9.372 -6.618 5.082 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.858 -8.659 4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.665 -9.659 4.342 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.153 -10.544 4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.779 -8.939 6.961 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.200 -10.328 9.038 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.798 -9.377 9.261 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.847 -6.926 2.514 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.262 -6.505 1.187 1.00 0.00 C ATOM 1184 C GLN A 76 -10.044 -6.356 0.273 1.00 0.00 C ATOM 1185 O GLN A 76 -9.638 -5.241 -0.051 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.062 -5.203 1.250 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.461 -5.446 1.819 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.454 -5.792 0.707 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.226 -6.665 -0.114 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.564 -5.060 0.726 1.00 0.00 N ATOM 0 H GLN A 76 -11.007 -6.238 3.249 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.913 -7.273 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.535 -4.478 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.141 -4.772 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.426 -6.258 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.800 -4.557 2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.691 -4.345 1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.288 -5.214 0.025 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.494 -7.497 -0.118 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.331 -7.507 -0.988 1.00 0.00 C ATOM 1201 C TRP A 77 -8.764 -6.995 -2.363 1.00 0.00 C ATOM 1202 O TRP A 77 -8.021 -6.269 -3.021 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.699 -8.900 -1.042 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.030 -9.780 0.165 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.985 -10.714 0.267 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.363 -9.771 1.445 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.983 -11.305 1.514 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.965 -10.713 2.253 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.287 -8.992 1.905 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.561 -10.965 3.570 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.895 -9.255 3.223 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.491 -10.200 4.049 1.00 0.00 C ATOM 0 H TRP A 77 -9.833 -8.420 0.152 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.554 -6.848 -0.600 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.033 -9.404 -1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.617 -8.794 -1.116 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.670 -10.972 -0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.613 -12.041 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.801 -8.249 1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.048 -11.709 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.072 -8.683 3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.130 -10.344 5.057 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.965 -7.393 -2.756 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.507 -6.982 -4.041 1.00 0.00 C ATOM 1225 C ASP A 78 -10.478 -5.456 -4.137 1.00 0.00 C ATOM 1226 O ASP A 78 -10.141 -4.902 -5.183 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.958 -7.439 -4.198 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.308 -8.022 -5.568 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.614 -7.212 -6.469 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.262 -9.266 -5.683 1.00 0.00 O ATOM 0 H ASP A 78 -10.578 -7.996 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.900 -7.436 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.171 -8.188 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.613 -6.590 -4.003 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.835 -4.818 -3.032 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.854 -3.366 -2.979 1.00 0.00 C ATOM 1237 C ALA A 79 -9.418 -2.840 -3.001 1.00 0.00 C ATOM 1238 O ALA A 79 -9.082 -1.974 -3.808 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.623 -2.910 -1.737 1.00 0.00 C ATOM 0 H ALA A 79 -11.113 -5.280 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.368 -2.957 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.637 -1.821 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.645 -3.285 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.135 -3.299 -0.844 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.607 -3.386 -2.106 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.215 -2.982 -2.013 1.00 0.00 C ATOM 1247 C ALA A 80 -6.650 -2.784 -3.421 1.00 0.00 C ATOM 1248 O ALA A 80 -6.124 -1.719 -3.739 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.433 -4.027 -1.213 1.00 0.00 C ATOM 0 H ALA A 80 -8.888 -4.105 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.126 -2.032 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.388 -3.724 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.855 -4.109 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.498 -4.993 -1.714 1.00 0.00 H new ATOM 1255 N ASP A 81 -6.779 -3.827 -4.228 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.288 -3.781 -5.595 1.00 0.00 C ATOM 1257 C ASP A 81 -7.008 -2.664 -6.353 1.00 0.00 C ATOM 1258 O ASP A 81 -6.375 -1.880 -7.059 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.562 -5.098 -6.323 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.014 -5.175 -7.750 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -6.009 -4.115 -8.413 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.613 -6.291 -8.145 1.00 0.00 O ATOM 0 H ASP A 81 -7.216 -4.709 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.213 -3.604 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.133 -5.914 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.639 -5.261 -6.354 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.321 -2.625 -6.181 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.133 -1.617 -6.840 1.00 0.00 C ATOM 1269 C ASP A 82 -8.456 -0.252 -6.700 1.00 0.00 C ATOM 1270 O ASP A 82 -8.014 0.329 -7.690 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.521 -1.524 -6.202 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.667 -1.267 -7.182 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.587 -1.811 -8.304 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.597 -0.531 -6.786 1.00 0.00 O ATOM 0 H ASP A 82 -8.843 -3.276 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.236 -1.899 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.722 -2.452 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.511 -0.725 -5.461 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.397 0.220 -5.464 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.782 1.506 -5.182 1.00 0.00 C ATOM 1281 C ILE A 83 -6.362 1.522 -5.753 1.00 0.00 C ATOM 1282 O ILE A 83 -5.998 2.434 -6.494 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.846 1.814 -3.685 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.295 1.835 -3.192 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.112 3.117 -3.362 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.441 1.048 -1.888 1.00 0.00 C ATOM 0 H ILE A 83 -8.765 -0.265 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.333 2.308 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.334 1.015 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.615 2.865 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.948 1.409 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.173 3.313 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.066 3.028 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.574 3.940 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.480 1.078 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.143 0.013 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.805 1.492 -1.122 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.599 0.504 -5.385 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.227 0.390 -5.851 1.00 0.00 C ATOM 1300 C HIS A 84 -4.150 0.797 -7.323 1.00 0.00 C ATOM 1301 O HIS A 84 -3.596 1.845 -7.653 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.681 -1.016 -5.595 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.923 -1.602 -6.762 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -1.866 -1.115 -7.473 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -3.234 -2.832 -7.317 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.548 -1.999 -8.411 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -2.395 -3.064 -8.315 1.00 0.00 N flip ATOM 0 H HIS A 84 -5.904 -0.250 -4.769 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.590 1.072 -5.288 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.024 -0.987 -4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.511 -1.677 -5.345 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.399 -0.223 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.026 -3.490 -6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.750 -1.893 -9.131 1.00 0.00 H new ATOM 1315 N ARG A 85 -4.714 -0.052 -8.170 1.00 0.00 N ATOM 1316 CA ARG A 85 -4.716 0.206 -9.599 1.00 0.00 C ATOM 1317 C ARG A 85 -4.967 1.691 -9.870 1.00 0.00 C ATOM 1318 O ARG A 85 -4.109 2.379 -10.421 1.00 0.00 O ATOM 1319 CB ARG A 85 -5.789 -0.623 -10.307 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.283 -2.036 -10.604 1.00 0.00 C ATOM 1321 CD ARG A 85 -4.345 -2.041 -11.812 1.00 0.00 C ATOM 1322 NE ARG A 85 -3.980 -3.431 -12.165 1.00 0.00 N ATOM 1323 CZ ARG A 85 -3.331 -3.777 -13.285 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -2.971 -2.835 -14.168 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -3.041 -5.063 -13.522 1.00 0.00 N ATOM 0 H ARG A 85 -5.173 -0.920 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.738 -0.078 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.682 -0.676 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.077 -0.133 -11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.761 -2.430 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.129 -2.697 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.829 -1.557 -12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.446 -1.466 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.239 -4.173 -11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.191 -1.856 -13.987 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.477 -3.098 -15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.314 -5.780 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.547 -5.326 -14.375 1.00 0.00 H new ATOM 1339 N SER A 86 -6.147 2.141 -9.471 1.00 0.00 N ATOM 1340 CA SER A 86 -6.522 3.532 -9.663 1.00 0.00 C ATOM 1341 C SER A 86 -5.384 4.448 -9.210 1.00 0.00 C ATOM 1342 O SER A 86 -5.139 5.488 -9.820 1.00 0.00 O ATOM 1343 CB SER A 86 -7.807 3.866 -8.904 1.00 0.00 C ATOM 1344 OG SER A 86 -8.928 3.142 -9.406 1.00 0.00 O ATOM 0 H SER A 86 -6.857 1.567 -9.015 1.00 0.00 H new ATOM 0 HA SER A 86 -6.708 3.693 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.673 3.639 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.004 4.936 -8.978 1.00 0.00 H new ATOM 0 HG SER A 86 -9.728 3.382 -8.894 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.719 4.030 -8.142 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.613 4.800 -7.600 1.00 0.00 C ATOM 1352 C LEU A 87 -2.418 4.706 -8.550 1.00 0.00 C ATOM 1353 O LEU A 87 -1.669 5.669 -8.708 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.300 4.354 -6.171 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.835 5.253 -5.054 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.447 4.708 -3.678 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.376 6.699 -5.248 1.00 0.00 C ATOM 0 H LEU A 87 -4.926 3.168 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.881 5.854 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.704 3.352 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.218 4.280 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.924 5.251 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.840 5.366 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.864 3.709 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.361 4.661 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.770 7.317 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.287 6.739 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.744 7.072 -6.204 1.00 0.00 H new ATOM 1369 N MET A 88 -2.276 3.537 -9.158 1.00 0.00 N ATOM 1370 CA MET A 88 -1.184 3.305 -10.088 1.00 0.00 C ATOM 1371 C MET A 88 -1.552 3.782 -11.495 1.00 0.00 C ATOM 1372 O MET A 88 -0.700 3.828 -12.381 1.00 0.00 O ATOM 1373 CB MET A 88 -0.853 1.812 -10.124 1.00 0.00 C ATOM 1374 CG MET A 88 -0.165 1.435 -11.438 1.00 0.00 C ATOM 1375 SD MET A 88 0.650 -0.144 -11.269 1.00 0.00 S ATOM 1376 CE MET A 88 2.150 0.368 -10.448 1.00 0.00 C ATOM 0 H MET A 88 -2.899 2.741 -9.025 1.00 0.00 H new ATOM 0 HA MET A 88 -0.316 3.870 -9.749 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.205 1.559 -9.285 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.767 1.230 -10.008 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.899 1.390 -12.243 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.561 2.201 -11.711 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.413 -0.362 -9.682 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.958 0.437 -11.176 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.996 1.342 -9.983 1.00 0.00 H new ATOM 1386 N VAL A 89 -2.821 4.124 -11.656 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.312 4.595 -12.940 1.00 0.00 C ATOM 1388 C VAL A 89 -2.931 6.066 -13.118 1.00 0.00 C ATOM 1389 O VAL A 89 -2.247 6.422 -14.077 1.00 0.00 O ATOM 1390 CB VAL A 89 -4.819 4.351 -13.046 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.403 5.053 -14.273 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.131 2.854 -13.070 1.00 0.00 C ATOM 0 H VAL A 89 -3.525 4.085 -10.919 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.848 4.038 -13.754 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.291 4.777 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.475 4.863 -14.325 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.227 6.126 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.923 4.670 -15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.209 2.708 -13.146 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.641 2.394 -13.928 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.766 2.391 -12.153 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.389 6.881 -12.180 1.00 0.00 N ATOM 1403 CA ASP A 90 -3.105 8.306 -12.221 1.00 0.00 C ATOM 1404 C ASP A 90 -1.759 8.572 -11.543 1.00 0.00 C ATOM 1405 O ASP A 90 -0.806 8.998 -12.194 1.00 0.00 O ATOM 1406 CB ASP A 90 -4.176 9.103 -11.475 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.053 10.623 -11.597 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -3.867 11.087 -12.743 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -4.147 11.287 -10.542 1.00 0.00 O ATOM 0 H ASP A 90 -3.955 6.582 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.087 8.617 -13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.156 8.802 -11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.138 8.834 -10.419 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.725 8.311 -10.245 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.512 8.517 -9.472 1.00 0.00 C ATOM 1416 C HIS A 91 0.439 7.337 -9.683 1.00 0.00 C ATOM 1417 O HIS A 91 0.776 6.629 -8.735 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.842 8.756 -7.997 1.00 0.00 C ATOM 1419 CG HIS A 91 -2.120 9.528 -7.771 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -2.135 10.867 -7.420 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.424 9.135 -7.849 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -3.397 11.252 -7.295 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -4.194 10.177 -7.561 1.00 0.00 N ATOM 0 H HIS A 91 -2.518 7.959 -9.709 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.003 9.415 -9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.917 7.793 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.016 9.296 -7.533 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -1.315 11.457 -7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.771 8.144 -8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.735 12.243 -7.029 1.00 0.00 H new ATOM 1431 N VAL A 92 0.844 7.162 -10.932 1.00 0.00 N ATOM 1432 CA VAL A 92 1.749 6.080 -11.280 1.00 0.00 C ATOM 1433 C VAL A 92 3.186 6.502 -10.969 1.00 0.00 C ATOM 1434 O VAL A 92 4.054 5.656 -10.757 1.00 0.00 O ATOM 1435 CB VAL A 92 1.548 5.679 -12.743 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.105 6.747 -13.686 1.00 0.00 C ATOM 1437 CG2 VAL A 92 2.176 4.314 -13.029 1.00 0.00 C ATOM 0 H VAL A 92 0.562 7.751 -11.715 1.00 0.00 H new ATOM 0 HA VAL A 92 1.533 5.195 -10.681 1.00 0.00 H new ATOM 0 HB VAL A 92 0.476 5.599 -12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.949 6.437 -14.719 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.591 7.692 -13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.172 6.874 -13.502 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.019 4.053 -14.076 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.245 4.355 -12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.712 3.560 -12.393 1.00 0.00 H new ATOM 1447 N THR A 93 3.394 7.811 -10.950 1.00 0.00 N ATOM 1448 CA THR A 93 4.710 8.356 -10.667 1.00 0.00 C ATOM 1449 C THR A 93 4.932 8.460 -9.157 1.00 0.00 C ATOM 1450 O THR A 93 6.045 8.726 -8.706 1.00 0.00 O ATOM 1451 CB THR A 93 4.832 9.697 -11.393 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.574 9.389 -12.570 1.00 0.00 O ATOM 1453 CG2 THR A 93 5.721 10.691 -10.642 1.00 0.00 C ATOM 0 H THR A 93 2.672 8.510 -11.126 1.00 0.00 H new ATOM 0 HA THR A 93 5.498 7.698 -11.034 1.00 0.00 H new ATOM 0 HB THR A 93 3.840 10.127 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.698 10.203 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.774 11.626 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.300 10.881 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.723 10.275 -10.536 1.00 0.00 H new ATOM 1461 N GLU A 94 3.854 8.244 -8.417 1.00 0.00 N ATOM 1462 CA GLU A 94 3.917 8.310 -6.967 1.00 0.00 C ATOM 1463 C GLU A 94 3.913 6.901 -6.371 1.00 0.00 C ATOM 1464 O GLU A 94 4.818 6.538 -5.620 1.00 0.00 O ATOM 1465 CB GLU A 94 2.765 9.147 -6.406 1.00 0.00 C ATOM 1466 CG GLU A 94 3.034 10.642 -6.587 1.00 0.00 C ATOM 1467 CD GLU A 94 4.305 11.064 -5.846 1.00 0.00 C ATOM 1468 OE1 GLU A 94 4.714 10.304 -4.942 1.00 0.00 O ATOM 1469 OE2 GLU A 94 4.838 12.137 -6.201 1.00 0.00 O ATOM 0 H GLU A 94 2.933 8.023 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 94 4.849 8.800 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.836 8.878 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.630 8.924 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.134 10.871 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.185 11.216 -6.216 1.00 0.00 H new ATOM 1476 N VAL A 95 2.885 6.146 -6.727 1.00 0.00 N ATOM 1477 CA VAL A 95 2.751 4.784 -6.237 1.00 0.00 C ATOM 1478 C VAL A 95 3.588 3.847 -7.110 1.00 0.00 C ATOM 1479 O VAL A 95 3.084 2.842 -7.608 1.00 0.00 O ATOM 1480 CB VAL A 95 1.274 4.391 -6.182 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.413 5.557 -5.691 1.00 0.00 C ATOM 1482 CG2 VAL A 95 0.790 3.887 -7.543 1.00 0.00 C ATOM 0 H VAL A 95 2.136 6.451 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 95 3.132 4.705 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 95 1.171 3.575 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.632 5.250 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.733 5.850 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.524 6.402 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.263 3.614 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.915 4.673 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.373 3.014 -7.836 1.00 0.00 H new ATOM 1492 N SER A 96 4.851 4.211 -7.271 1.00 0.00 N ATOM 1493 CA SER A 96 5.762 3.416 -8.076 1.00 0.00 C ATOM 1494 C SER A 96 7.072 3.192 -7.317 1.00 0.00 C ATOM 1495 O SER A 96 7.396 3.940 -6.396 1.00 0.00 O ATOM 1496 CB SER A 96 6.038 4.088 -9.423 1.00 0.00 C ATOM 1497 OG SER A 96 6.242 5.492 -9.287 1.00 0.00 O ATOM 0 H SER A 96 5.265 5.046 -6.857 1.00 0.00 H new ATOM 0 HA SER A 96 5.292 2.452 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.918 3.636 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.201 3.907 -10.097 1.00 0.00 H new ATOM 0 HG SER A 96 5.553 5.973 -9.791 1.00 0.00 H new ATOM 1503 N GLN A 97 7.790 2.159 -7.732 1.00 0.00 N ATOM 1504 CA GLN A 97 9.057 1.827 -7.103 1.00 0.00 C ATOM 1505 C GLN A 97 8.818 1.182 -5.737 1.00 0.00 C ATOM 1506 O GLN A 97 9.748 1.036 -4.945 1.00 0.00 O ATOM 1507 CB GLN A 97 9.948 3.065 -6.978 1.00 0.00 C ATOM 1508 CG GLN A 97 10.180 3.714 -8.343 1.00 0.00 C ATOM 1509 CD GLN A 97 10.989 5.006 -8.206 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.996 5.067 -7.521 1.00 0.00 O ATOM 1511 NE2 GLN A 97 10.492 6.031 -8.894 1.00 0.00 N ATOM 0 H GLN A 97 7.518 1.541 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 97 9.578 1.108 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.484 3.785 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.905 2.786 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.707 3.018 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.221 3.929 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.644 5.910 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.959 6.937 -8.868 1.00 0.00 H new ATOM 1520 N TRP A 98 7.567 0.814 -5.502 1.00 0.00 N ATOM 1521 CA TRP A 98 7.195 0.189 -4.244 1.00 0.00 C ATOM 1522 C TRP A 98 5.832 -0.480 -4.435 1.00 0.00 C ATOM 1523 O TRP A 98 5.648 -1.638 -4.063 1.00 0.00 O ATOM 1524 CB TRP A 98 7.207 1.206 -3.101 1.00 0.00 C ATOM 1525 CG TRP A 98 6.226 2.365 -3.289 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.464 3.568 -3.828 1.00 0.00 C ATOM 1527 CD2 TRP A 98 4.833 2.381 -2.913 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.331 4.356 -3.828 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.307 3.611 -3.254 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.042 1.390 -2.306 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 2.972 3.964 -3.026 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.710 1.758 -2.085 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.165 2.991 -2.422 1.00 0.00 C ATOM 0 H TRP A 98 6.798 0.937 -6.161 1.00 0.00 H new ATOM 0 HA TRP A 98 7.921 -0.573 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.972 0.692 -2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.214 1.609 -2.998 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.422 3.882 -4.214 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.258 5.309 -4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.432 0.421 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.585 4.934 -3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.060 1.032 -1.620 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.125 3.198 -2.219 1.00 0.00 H new ATOM 1544 N MET A 99 4.912 0.278 -5.013 1.00 0.00 N ATOM 1545 CA MET A 99 3.572 -0.228 -5.257 1.00 0.00 C ATOM 1546 C MET A 99 3.607 -1.701 -5.668 1.00 0.00 C ATOM 1547 O MET A 99 2.671 -2.449 -5.390 1.00 0.00 O ATOM 1548 CB MET A 99 2.910 0.595 -6.365 1.00 0.00 C ATOM 1549 CG MET A 99 1.696 -0.137 -6.941 1.00 0.00 C ATOM 1550 SD MET A 99 0.572 -0.581 -5.627 1.00 0.00 S ATOM 1551 CE MET A 99 -0.028 1.037 -5.172 1.00 0.00 C ATOM 0 H MET A 99 5.068 1.238 -5.319 1.00 0.00 H new ATOM 0 HA MET A 99 2.998 -0.142 -4.334 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.602 1.563 -5.969 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.632 0.790 -7.158 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.188 0.499 -7.666 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.019 -1.032 -7.473 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.988 0.940 -4.666 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.688 1.516 -4.504 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.150 1.645 -6.068 1.00 0.00 H new ATOM 1561 N VAL A 100 4.697 -2.074 -6.322 1.00 0.00 N ATOM 1562 CA VAL A 100 4.867 -3.445 -6.773 1.00 0.00 C ATOM 1563 C VAL A 100 4.744 -4.390 -5.577 1.00 0.00 C ATOM 1564 O VAL A 100 4.005 -5.372 -5.631 1.00 0.00 O ATOM 1565 CB VAL A 100 6.197 -3.590 -7.515 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.210 -2.744 -8.790 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.374 -3.230 -6.607 1.00 0.00 C ATOM 0 H VAL A 100 5.471 -1.451 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 100 4.083 -3.714 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 100 6.305 -4.635 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.167 -2.866 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.405 -3.068 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.067 -1.695 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.307 -3.342 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.272 -2.198 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.383 -3.894 -5.742 1.00 0.00 H new ATOM 1577 N GLY A 101 5.478 -4.060 -4.524 1.00 0.00 N ATOM 1578 CA GLY A 101 5.460 -4.867 -3.316 1.00 0.00 C ATOM 1579 C GLY A 101 4.040 -4.992 -2.761 1.00 0.00 C ATOM 1580 O GLY A 101 3.483 -6.088 -2.711 1.00 0.00 O ATOM 0 H GLY A 101 6.089 -3.244 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.859 -5.858 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.110 -4.418 -2.565 1.00 0.00 H new ATOM 1584 N VAL A 102 3.495 -3.854 -2.359 1.00 0.00 N ATOM 1585 CA VAL A 102 2.150 -3.822 -1.809 1.00 0.00 C ATOM 1586 C VAL A 102 1.254 -4.769 -2.609 1.00 0.00 C ATOM 1587 O VAL A 102 0.598 -5.639 -2.038 1.00 0.00 O ATOM 1588 CB VAL A 102 1.628 -2.383 -1.786 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.156 -2.341 -1.372 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.481 -1.506 -0.867 1.00 0.00 C ATOM 0 H VAL A 102 3.960 -2.947 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 102 2.152 -4.170 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 102 1.703 -1.982 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.190 -1.307 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.438 -2.917 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.046 -2.769 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.089 -0.489 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.451 -1.905 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.511 -1.499 -1.224 1.00 0.00 H new ATOM 1600 N LYS A 103 1.255 -4.569 -3.918 1.00 0.00 N ATOM 1601 CA LYS A 103 0.450 -5.395 -4.803 1.00 0.00 C ATOM 1602 C LYS A 103 0.549 -6.856 -4.359 1.00 0.00 C ATOM 1603 O LYS A 103 -0.467 -7.533 -4.209 1.00 0.00 O ATOM 1604 CB LYS A 103 0.851 -5.167 -6.261 1.00 0.00 C ATOM 1605 CG LYS A 103 0.314 -6.283 -7.159 1.00 0.00 C ATOM 1606 CD LYS A 103 0.252 -5.832 -8.619 1.00 0.00 C ATOM 1607 CE LYS A 103 0.043 -7.025 -9.554 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.341 -7.510 -10.073 1.00 0.00 N ATOM 0 H LYS A 103 1.801 -3.847 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.601 -5.112 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.467 -4.205 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.937 -5.123 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.953 -7.162 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.680 -6.578 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.561 -5.118 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.175 -5.316 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.465 -7.828 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.602 -6.736 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.181 -8.320 -10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.811 -6.747 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.944 -7.805 -9.279 1.00 0.00 H new ATOM 1622 N ARG A 104 1.782 -7.298 -4.161 1.00 0.00 N ATOM 1623 CA ARG A 104 2.027 -8.666 -3.737 1.00 0.00 C ATOM 1624 C ARG A 104 1.493 -8.887 -2.320 1.00 0.00 C ATOM 1625 O ARG A 104 0.757 -9.841 -2.072 1.00 0.00 O ATOM 1626 CB ARG A 104 3.521 -8.994 -3.768 1.00 0.00 C ATOM 1627 CG ARG A 104 3.764 -10.476 -3.478 1.00 0.00 C ATOM 1628 CD ARG A 104 3.314 -11.346 -4.653 1.00 0.00 C ATOM 1629 NE ARG A 104 4.425 -11.509 -5.617 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.266 -11.906 -6.887 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.040 -12.182 -7.354 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.332 -12.026 -7.690 1.00 0.00 N ATOM 0 H ARG A 104 2.622 -6.733 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 104 1.507 -9.326 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.933 -8.739 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.046 -8.385 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.823 -10.643 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.224 -10.767 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.990 -12.322 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.457 -10.889 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 104 5.371 -11.306 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.229 -12.090 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.919 -12.484 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.265 -11.815 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.211 -12.328 -8.657 1.00 0.00 H new ATOM 1646 N LEU A 105 1.885 -7.989 -1.428 1.00 0.00 N ATOM 1647 CA LEU A 105 1.455 -8.074 -0.043 1.00 0.00 C ATOM 1648 C LEU A 105 -0.030 -8.439 0.005 1.00 0.00 C ATOM 1649 O LEU A 105 -0.410 -9.430 0.627 1.00 0.00 O ATOM 1650 CB LEU A 105 1.795 -6.783 0.704 1.00 0.00 C ATOM 1651 CG LEU A 105 1.574 -6.805 2.218 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.884 -6.555 2.967 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.482 -5.814 2.626 1.00 0.00 C ATOM 0 H LEU A 105 2.496 -7.199 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 105 1.995 -8.867 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.840 -6.541 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.198 -5.975 0.282 1.00 0.00 H new ATOM 0 HG LEU A 105 1.228 -7.800 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.699 -6.576 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.605 -7.330 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.283 -5.580 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.344 -5.849 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.776 -4.807 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.453 -6.079 2.132 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.830 -7.619 -0.661 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.265 -7.843 -0.703 1.00 0.00 C ATOM 1667 C ILE A 106 -2.538 -9.324 -0.973 1.00 0.00 C ATOM 1668 O ILE A 106 -3.202 -9.991 -0.181 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.925 -6.902 -1.713 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.697 -5.439 -1.329 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.411 -7.228 -1.876 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.707 -4.539 -2.567 1.00 0.00 C ATOM 0 H ILE A 106 -0.511 -6.798 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.716 -7.606 0.261 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.454 -7.057 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.473 -5.117 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.743 -5.340 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.856 -6.545 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.522 -8.253 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.915 -7.119 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.543 -3.504 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.915 -4.849 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.671 -4.622 -3.069 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.011 -9.795 -2.094 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.190 -11.185 -2.478 1.00 0.00 C ATOM 1686 C ALA A 107 -1.804 -12.088 -1.304 1.00 0.00 C ATOM 1687 O ALA A 107 -2.577 -12.956 -0.903 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.367 -11.478 -3.734 1.00 0.00 C ATOM 0 H ALA A 107 -1.460 -9.239 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.234 -11.385 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.501 -12.521 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.700 -10.832 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.313 -11.291 -3.530 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.607 -11.852 -0.786 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.109 -12.633 0.333 1.00 0.00 C ATOM 1696 C GLU A 108 -1.099 -12.582 1.498 1.00 0.00 C ATOM 1697 O GLU A 108 -1.635 -13.611 1.908 1.00 0.00 O ATOM 1698 CB GLU A 108 1.275 -12.146 0.769 1.00 0.00 C ATOM 1699 CG GLU A 108 2.298 -12.328 -0.354 1.00 0.00 C ATOM 1700 CD GLU A 108 2.320 -13.777 -0.845 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.098 -14.668 0.003 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.558 -13.961 -2.059 1.00 0.00 O ATOM 0 H GLU A 108 0.032 -11.131 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.009 -13.670 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.222 -11.094 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.597 -12.697 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.056 -11.663 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.289 -12.046 0.002 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.314 -11.374 1.999 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.230 -11.176 3.109 1.00 0.00 C ATOM 1711 C LYS A 109 -3.519 -11.957 2.846 1.00 0.00 C ATOM 1712 O LYS A 109 -4.002 -12.677 3.718 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.456 -9.683 3.358 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.216 -9.038 3.980 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.090 -9.406 5.460 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.157 -8.694 6.294 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.626 -9.568 7.392 1.00 0.00 N ATOM 0 H LYS A 109 -0.869 -10.523 1.656 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.801 -11.568 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.696 -9.186 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.312 -9.546 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.325 -9.363 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.274 -7.955 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.189 -10.485 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.099 -9.135 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.749 -7.771 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.998 -8.416 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.286 -9.040 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.110 -10.398 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.812 -9.881 7.958 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.040 -11.787 1.639 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.264 -12.467 1.250 1.00 0.00 C ATOM 1733 C LYS A 110 -5.090 -13.974 1.448 1.00 0.00 C ATOM 1734 O LYS A 110 -5.839 -14.596 2.201 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.664 -12.077 -0.174 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.806 -12.958 -0.684 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.041 -12.740 -2.180 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.406 -13.284 -2.606 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.772 -12.775 -3.947 1.00 0.00 N ATOM 0 H LYS A 110 -3.637 -11.188 0.918 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.092 -12.154 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.969 -11.031 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.803 -12.172 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.572 -14.006 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.719 -12.732 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.982 -11.676 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.255 -13.234 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.382 -14.374 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.164 -12.990 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.701 -13.154 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.815 -11.736 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.057 -13.077 -4.640 1.00 0.00 H new ATOM 1753 N SER A 111 -4.098 -14.519 0.759 1.00 0.00 N ATOM 1754 CA SER A 111 -3.816 -15.942 0.850 1.00 0.00 C ATOM 1755 C SER A 111 -3.848 -16.389 2.313 1.00 0.00 C ATOM 1756 O SER A 111 -4.547 -17.339 2.660 1.00 0.00 O ATOM 1757 CB SER A 111 -2.462 -16.276 0.222 1.00 0.00 C ATOM 1758 OG SER A 111 -2.580 -17.246 -0.816 1.00 0.00 O ATOM 0 H SER A 111 -3.479 -14.001 0.135 1.00 0.00 H new ATOM 0 HA SER A 111 -4.585 -16.480 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.015 -15.367 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.787 -16.649 0.992 1.00 0.00 H new ATOM 0 HG SER A 111 -1.695 -17.431 -1.193 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.082 -15.682 3.131 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.013 -15.995 4.548 1.00 0.00 C ATOM 1766 C LEU A 112 -4.426 -16.243 5.081 1.00 0.00 C ATOM 1767 O LEU A 112 -4.717 -17.319 5.600 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.255 -14.900 5.302 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.803 -14.674 4.876 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.259 -13.366 5.455 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.070 -15.873 5.249 1.00 0.00 C ATOM 0 H LEU A 112 -2.504 -14.894 2.839 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.446 -16.912 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.798 -13.962 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.267 -15.143 6.365 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.776 -14.581 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.775 -13.229 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.862 -12.531 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.302 -13.404 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.097 -15.687 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.042 -16.022 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.306 -16.766 4.750 1.00 0.00 H new