USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 16 ASN : amide:sc= 0.816 K(o=2,f=-5.8!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 130:sc= 1.21 (180deg=-0.174) USER MOD Single : A 9 MET CE :methyl -168:sc= 0 (180deg=-0.0278) USER MOD Single : A 11 THR OG1 : rot 23:sc= -0.199 USER MOD Single : A 20 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.505 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.446 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.8!) USER MOD Single : A 40 ASN : amide:sc= -0.774 K(o=-0.77,f=-3.5!) USER MOD Single : A 52 ASN : amide:sc= -3.49! C(o=-3.5!,f=-11!) USER MOD Single : A 59 GLN : amide:sc= 0.139 X(o=0.14,f=-0.011) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -51:sc= 1.17 USER MOD Single : A 68 GLN : amide:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -5.79! C(o=-6.5!,f=-5.8!) USER MOD Single : A 75 SER OG : rot 68:sc= 1.23 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -0.217 (180deg=-0.824) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 1.435 12.522 5.292 1.00 1.00 N ATOM 130 CA MET A 9 1.359 11.112 4.922 1.00 1.00 C ATOM 131 C MET A 9 1.958 10.887 3.537 1.00 1.00 C ATOM 132 O MET A 9 1.871 11.750 2.663 1.00 1.00 O ATOM 133 CB MET A 9 -0.098 10.637 4.935 1.00 1.00 C ATOM 134 CG MET A 9 -0.321 9.699 6.123 1.00 1.00 C ATOM 135 SD MET A 9 0.132 10.547 7.656 1.00 1.00 S ATOM 136 CE MET A 9 -0.050 9.129 8.764 1.00 1.00 C ATOM 0 HA MET A 9 1.930 10.538 5.651 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.770 11.493 5.003 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.332 10.122 4.003 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.365 9.387 6.162 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.278 8.796 6.004 1.00 1.00 H new ATOM 0 HE1 MET A 9 -0.025 9.470 9.799 1.00 1.00 H new ATOM 0 HE2 MET A 9 -1.001 8.634 8.568 1.00 1.00 H new ATOM 0 HE3 MET A 9 0.766 8.427 8.594 1.00 1.00 H new ATOM 146 N ASP A 10 2.566 9.722 3.344 1.00 1.00 N ATOM 147 CA ASP A 10 3.179 9.394 2.061 1.00 1.00 C ATOM 148 C ASP A 10 3.670 7.950 2.054 1.00 1.00 C ATOM 149 O ASP A 10 4.610 7.608 1.336 1.00 1.00 O ATOM 150 CB ASP A 10 4.356 10.332 1.790 1.00 1.00 C ATOM 151 CG ASP A 10 5.382 10.217 2.911 1.00 1.00 C ATOM 152 OD1 ASP A 10 6.205 9.319 2.841 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.326 11.022 3.825 1.00 1.00 O ATOM 0 H ASP A 10 2.648 8.993 4.053 1.00 1.00 H new ATOM 0 HA ASP A 10 2.428 9.516 1.281 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.819 10.082 0.835 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.002 11.360 1.713 1.00 1.00 H new ATOM 158 N THR A 11 3.031 7.108 2.857 1.00 1.00 N ATOM 159 CA THR A 11 3.414 5.704 2.938 1.00 1.00 C ATOM 160 C THR A 11 2.218 4.848 3.341 1.00 1.00 C ATOM 161 O THR A 11 1.378 5.277 4.132 1.00 1.00 O ATOM 162 CB THR A 11 4.543 5.536 3.962 1.00 1.00 C ATOM 163 OG1 THR A 11 5.787 5.814 3.339 1.00 1.00 O ATOM 164 CG2 THR A 11 4.549 4.104 4.501 1.00 1.00 C ATOM 0 H THR A 11 2.250 7.371 3.458 1.00 1.00 H new ATOM 0 HA THR A 11 3.762 5.377 1.958 1.00 1.00 H new ATOM 0 HB THR A 11 4.385 6.227 4.790 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.640 6.379 2.552 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.354 3.992 5.228 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.594 3.892 4.982 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.704 3.406 3.678 1.00 1.00 H new ATOM 172 N ILE A 12 2.150 3.639 2.788 1.00 1.00 N ATOM 173 CA ILE A 12 1.054 2.726 3.093 1.00 1.00 C ATOM 174 C ILE A 12 1.582 1.472 3.785 1.00 1.00 C ATOM 175 O ILE A 12 2.784 1.203 3.773 1.00 1.00 O ATOM 176 CB ILE A 12 0.333 2.332 1.803 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.598 3.391 0.731 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.170 2.238 2.066 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.275 3.109 -0.493 1.00 1.00 C ATOM 0 H ILE A 12 2.837 3.271 2.130 1.00 1.00 H new ATOM 0 HA ILE A 12 0.356 3.231 3.761 1.00 1.00 H new ATOM 0 HB ILE A 12 0.702 1.365 1.460 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.381 4.384 1.124 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.651 3.383 0.449 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.683 1.957 1.146 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.359 1.485 2.831 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.541 3.204 2.408 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.086 3.864 -1.256 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.036 2.123 -0.891 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.326 3.139 -0.205 1.00 1.00 H new ATOM 191 N ILE A 13 0.676 0.706 4.382 1.00 1.00 N ATOM 192 CA ILE A 13 1.062 -0.520 5.069 1.00 1.00 C ATOM 193 C ILE A 13 -0.052 -1.558 4.976 1.00 1.00 C ATOM 194 O ILE A 13 -1.205 -1.283 5.309 1.00 1.00 O ATOM 195 CB ILE A 13 1.392 -0.226 6.539 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.318 -1.319 7.078 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.110 -0.191 7.377 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.556 -1.095 8.572 1.00 1.00 C ATOM 0 H ILE A 13 -0.323 0.910 4.404 1.00 1.00 H new ATOM 0 HA ILE A 13 1.952 -0.922 4.584 1.00 1.00 H new ATOM 0 HB ILE A 13 1.883 0.745 6.603 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.874 -2.301 6.913 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.267 -1.304 6.541 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.361 0.019 8.417 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.551 0.589 6.999 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.393 -1.156 7.312 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.215 -1.873 8.956 1.00 1.00 H new ATOM 0 HD12 ILE A 13 3.018 -0.120 8.725 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.604 -1.132 9.102 1.00 1.00 H new ATOM 210 N LEU A 14 0.300 -2.751 4.511 1.00 1.00 N ATOM 211 CA LEU A 14 -0.676 -3.823 4.367 1.00 1.00 C ATOM 212 C LEU A 14 -0.823 -4.600 5.672 1.00 1.00 C ATOM 213 O LEU A 14 0.119 -4.693 6.459 1.00 1.00 O ATOM 214 CB LEU A 14 -0.243 -4.769 3.246 1.00 1.00 C ATOM 215 CG LEU A 14 0.401 -3.962 2.119 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.682 -4.880 0.928 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.551 -2.844 1.686 1.00 1.00 C ATOM 0 H LEU A 14 1.248 -2.999 4.229 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.641 -3.382 4.118 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.463 -5.506 3.630 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.104 -5.320 2.867 1.00 1.00 H new ATOM 0 HG LEU A 14 1.337 -3.529 2.472 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.141 -4.304 0.125 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.359 -5.678 1.235 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.253 -5.314 0.574 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.093 -2.267 0.882 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.486 -3.279 1.334 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.752 -2.189 2.534 1.00 1.00 H new ATOM 229 N ARG A 15 -2.015 -5.151 5.892 1.00 1.00 N ATOM 230 CA ARG A 15 -2.290 -5.915 7.104 1.00 1.00 C ATOM 231 C ARG A 15 -2.957 -7.241 6.755 1.00 1.00 C ATOM 232 O ARG A 15 -3.673 -7.338 5.762 1.00 1.00 O ATOM 233 CB ARG A 15 -3.200 -5.093 8.026 1.00 1.00 C ATOM 234 CG ARG A 15 -3.992 -6.010 8.963 1.00 1.00 C ATOM 235 CD ARG A 15 -4.552 -5.184 10.125 1.00 1.00 C ATOM 236 NE ARG A 15 -3.632 -5.227 11.256 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.047 -4.983 12.495 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.298 -4.685 12.716 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.204 -5.041 13.489 1.00 1.00 N ATOM 0 H ARG A 15 -2.803 -5.082 5.248 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.351 -6.127 7.616 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.599 -4.397 8.612 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.887 -4.495 7.428 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.805 -6.491 8.419 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.349 -6.804 9.343 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.704 -4.152 9.808 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.526 -5.573 10.423 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.650 -5.449 11.093 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.956 -4.639 11.938 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.617 -4.498 13.666 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.226 -5.274 13.315 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.523 -4.854 14.440 1.00 1.00 H new ATOM 253 N ASN A 16 -2.710 -8.255 7.586 1.00 1.00 N ATOM 254 CA ASN A 16 -3.284 -9.582 7.379 1.00 1.00 C ATOM 255 C ASN A 16 -2.646 -10.274 6.180 1.00 1.00 C ATOM 256 O ASN A 16 -3.338 -10.681 5.247 1.00 1.00 O ATOM 257 CB ASN A 16 -4.795 -9.471 7.168 1.00 1.00 C ATOM 258 CG ASN A 16 -5.461 -10.816 7.425 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.030 -11.573 8.294 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.503 -11.158 6.718 1.00 1.00 N ATOM 0 H ASN A 16 -2.114 -8.180 8.411 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.084 -10.180 8.268 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.209 -8.718 7.838 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.004 -9.142 6.150 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.961 -12.054 6.885 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.859 -10.530 5.998 1.00 1.00 H new ATOM 267 N ILE A 17 -1.325 -10.412 6.215 1.00 1.00 N ATOM 268 CA ILE A 17 -0.605 -11.062 5.125 1.00 1.00 C ATOM 269 C ILE A 17 -0.294 -12.513 5.477 1.00 1.00 C ATOM 270 O ILE A 17 0.298 -12.796 6.518 1.00 1.00 O ATOM 271 CB ILE A 17 0.703 -10.322 4.843 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.443 -8.813 4.768 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.289 -10.807 3.515 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.724 -8.532 3.818 1.00 1.00 C ATOM 0 H ILE A 17 -0.734 -10.085 6.980 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.238 -11.037 4.238 1.00 1.00 H new ATOM 0 HB ILE A 17 1.409 -10.524 5.648 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.217 -8.424 5.761 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.338 -8.298 4.420 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.221 -10.279 3.314 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.483 -11.878 3.573 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.580 -10.610 2.711 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.903 -7.458 3.770 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.481 -8.905 2.823 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.620 -9.033 4.184 1.00 1.00 H new ATOM 286 N ALA A 18 -0.689 -13.425 4.598 1.00 1.00 N ATOM 287 CA ALA A 18 -0.439 -14.845 4.823 1.00 1.00 C ATOM 288 C ALA A 18 1.076 -15.113 4.898 1.00 1.00 C ATOM 289 O ALA A 18 1.796 -14.795 3.953 1.00 1.00 O ATOM 290 CB ALA A 18 -1.038 -15.661 3.675 1.00 1.00 C ATOM 0 H ALA A 18 -1.180 -13.211 3.730 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.902 -15.138 5.765 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.850 -16.721 3.845 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.113 -15.486 3.627 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.578 -15.358 2.734 1.00 1.00 H new ATOM 296 N PRO A 19 1.584 -15.682 5.978 1.00 1.00 N ATOM 297 CA PRO A 19 3.047 -15.970 6.108 1.00 1.00 C ATOM 298 C PRO A 19 3.639 -16.594 4.842 1.00 1.00 C ATOM 299 O PRO A 19 4.858 -16.720 4.718 1.00 1.00 O ATOM 300 CB PRO A 19 3.122 -16.958 7.272 1.00 1.00 C ATOM 301 CG PRO A 19 1.923 -16.683 8.113 1.00 1.00 C ATOM 302 CD PRO A 19 0.847 -16.110 7.188 1.00 1.00 C ATOM 0 HA PRO A 19 3.621 -15.057 6.270 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.120 -17.987 6.913 1.00 1.00 H new ATOM 0 HB3 PRO A 19 4.040 -16.821 7.843 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.572 -17.596 8.593 1.00 1.00 H new ATOM 0 HG3 PRO A 19 2.164 -15.977 8.908 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.091 -16.858 6.948 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.329 -15.272 7.654 1.00 1.00 H new ATOM 310 N HIS A 20 2.774 -16.994 3.915 1.00 1.00 N ATOM 311 CA HIS A 20 3.230 -17.616 2.674 1.00 1.00 C ATOM 312 C HIS A 20 3.318 -16.597 1.544 1.00 1.00 C ATOM 313 O HIS A 20 3.378 -16.963 0.370 1.00 1.00 O ATOM 314 CB HIS A 20 2.264 -18.731 2.271 1.00 1.00 C ATOM 315 CG HIS A 20 2.819 -19.467 1.084 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.355 -19.249 -0.205 1.00 1.00 N ATOM 317 CD2 HIS A 20 3.803 -20.419 0.971 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.053 -20.051 -1.029 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.949 -20.785 -0.364 1.00 1.00 N ATOM 0 H HIS A 20 1.762 -16.900 3.997 1.00 1.00 H new ATOM 0 HA HIS A 20 4.225 -18.026 2.849 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.118 -19.419 3.104 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.288 -18.311 2.029 1.00 1.00 H new ATOM 0 HD2 HIS A 20 4.376 -20.822 1.793 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.907 -20.096 -2.098 1.00 1.00 H new ATOM 0 HE2 HIS A 20 4.601 -21.467 -0.751 1.00 1.00 H new ATOM 327 N THR A 21 3.325 -15.318 1.898 1.00 1.00 N ATOM 328 CA THR A 21 3.405 -14.261 0.898 1.00 1.00 C ATOM 329 C THR A 21 4.857 -13.942 0.561 1.00 1.00 C ATOM 330 O THR A 21 5.751 -14.126 1.386 1.00 1.00 O ATOM 331 CB THR A 21 2.711 -13.000 1.415 1.00 1.00 C ATOM 332 OG1 THR A 21 1.325 -13.264 1.587 1.00 1.00 O ATOM 333 CG2 THR A 21 2.896 -11.864 0.409 1.00 1.00 C ATOM 0 H THR A 21 3.277 -14.989 2.862 1.00 1.00 H new ATOM 0 HA THR A 21 2.905 -14.608 -0.006 1.00 1.00 H new ATOM 0 HB THR A 21 3.148 -12.708 2.370 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.192 -13.802 2.396 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.401 -10.966 0.779 1.00 1.00 H new ATOM 0 HG22 THR A 21 3.959 -11.664 0.278 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.460 -12.151 -0.548 1.00 1.00 H new ATOM 341 N VAL A 22 5.081 -13.462 -0.659 1.00 1.00 N ATOM 342 CA VAL A 22 6.427 -13.116 -1.100 1.00 1.00 C ATOM 343 C VAL A 22 6.422 -11.769 -1.816 1.00 1.00 C ATOM 344 O VAL A 22 5.489 -11.449 -2.551 1.00 1.00 O ATOM 345 CB VAL A 22 6.963 -14.195 -2.041 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.932 -15.101 -1.282 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.796 -15.030 -2.573 1.00 1.00 C ATOM 0 H VAL A 22 4.352 -13.305 -1.355 1.00 1.00 H new ATOM 0 HA VAL A 22 7.072 -13.049 -0.224 1.00 1.00 H new ATOM 0 HB VAL A 22 7.485 -13.724 -2.874 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.313 -15.870 -1.954 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.763 -14.507 -0.901 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.412 -15.573 -0.449 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.176 -15.800 -3.244 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.275 -15.500 -1.739 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.105 -14.385 -3.115 1.00 1.00 H new ATOM 357 N VAL A 23 7.472 -10.984 -1.597 1.00 1.00 N ATOM 358 CA VAL A 23 7.578 -9.674 -2.229 1.00 1.00 C ATOM 359 C VAL A 23 7.328 -9.780 -3.730 1.00 1.00 C ATOM 360 O VAL A 23 6.925 -8.809 -4.372 1.00 1.00 O ATOM 361 CB VAL A 23 8.969 -9.088 -1.984 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.163 -7.850 -2.860 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.103 -8.695 -0.511 1.00 1.00 C ATOM 0 H VAL A 23 8.256 -11.229 -0.992 1.00 1.00 H new ATOM 0 HA VAL A 23 6.824 -9.019 -1.792 1.00 1.00 H new ATOM 0 HB VAL A 23 9.726 -9.832 -2.234 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.155 -7.432 -2.685 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.066 -8.128 -3.909 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.407 -7.106 -2.611 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.094 -8.277 -0.335 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.346 -7.951 -0.263 1.00 1.00 H new ATOM 0 HG23 VAL A 23 8.964 -9.577 0.115 1.00 1.00 H new ATOM 373 N ASP A 24 7.568 -10.963 -4.283 1.00 1.00 N ATOM 374 CA ASP A 24 7.369 -11.186 -5.711 1.00 1.00 C ATOM 375 C ASP A 24 5.896 -11.026 -6.082 1.00 1.00 C ATOM 376 O ASP A 24 5.562 -10.359 -7.062 1.00 1.00 O ATOM 377 CB ASP A 24 7.843 -12.589 -6.091 1.00 1.00 C ATOM 378 CG ASP A 24 8.741 -12.522 -7.321 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.208 -12.511 -8.420 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.947 -12.483 -7.149 1.00 1.00 O ATOM 0 H ASP A 24 7.899 -11.779 -3.768 1.00 1.00 H new ATOM 0 HA ASP A 24 7.951 -10.445 -6.258 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.386 -13.036 -5.258 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.984 -13.230 -6.292 1.00 1.00 H new ATOM 385 N SER A 25 5.021 -11.646 -5.296 1.00 1.00 N ATOM 386 CA SER A 25 3.588 -11.568 -5.557 1.00 1.00 C ATOM 387 C SER A 25 3.051 -10.180 -5.219 1.00 1.00 C ATOM 388 O SER A 25 2.505 -9.490 -6.081 1.00 1.00 O ATOM 389 CB SER A 25 2.850 -12.617 -4.725 1.00 1.00 C ATOM 390 OG SER A 25 3.189 -13.915 -5.196 1.00 1.00 O ATOM 0 H SER A 25 5.276 -12.203 -4.480 1.00 1.00 H new ATOM 0 HA SER A 25 3.422 -11.759 -6.617 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.118 -12.518 -3.673 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.773 -12.462 -4.795 1.00 1.00 H new ATOM 0 HG SER A 25 2.718 -14.590 -4.663 1.00 1.00 H new ATOM 396 N ILE A 26 3.210 -9.779 -3.963 1.00 1.00 N ATOM 397 CA ILE A 26 2.735 -8.470 -3.523 1.00 1.00 C ATOM 398 C ILE A 26 3.111 -7.395 -4.536 1.00 1.00 C ATOM 399 O ILE A 26 2.433 -6.372 -4.650 1.00 1.00 O ATOM 400 CB ILE A 26 3.343 -8.128 -2.160 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.721 -9.025 -1.080 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.077 -6.655 -1.836 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.459 -8.372 -0.506 1.00 1.00 C ATOM 0 H ILE A 26 3.660 -10.335 -3.236 1.00 1.00 H new ATOM 0 HA ILE A 26 1.649 -8.506 -3.438 1.00 1.00 H new ATOM 0 HB ILE A 26 4.419 -8.298 -2.187 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.474 -9.998 -1.504 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.443 -9.199 -0.282 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.510 -6.412 -0.866 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.529 -6.026 -2.603 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.002 -6.477 -1.808 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.030 -9.020 0.258 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.716 -7.410 -0.063 1.00 1.00 H new ATOM 0 HD13 ILE A 26 0.732 -8.221 -1.304 1.00 1.00 H new ATOM 415 N MET A 27 4.196 -7.628 -5.266 1.00 1.00 N ATOM 416 CA MET A 27 4.654 -6.668 -6.264 1.00 1.00 C ATOM 417 C MET A 27 3.802 -6.751 -7.526 1.00 1.00 C ATOM 418 O MET A 27 3.197 -5.764 -7.944 1.00 1.00 O ATOM 419 CB MET A 27 6.119 -6.941 -6.616 1.00 1.00 C ATOM 420 CG MET A 27 7.025 -6.318 -5.553 1.00 1.00 C ATOM 421 SD MET A 27 7.533 -4.664 -6.086 1.00 1.00 S ATOM 422 CE MET A 27 9.167 -5.122 -6.716 1.00 1.00 C ATOM 0 H MET A 27 4.771 -8.467 -5.187 1.00 1.00 H new ATOM 0 HA MET A 27 4.560 -5.666 -5.844 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.296 -8.015 -6.675 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.352 -6.525 -7.596 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.498 -6.259 -4.600 1.00 1.00 H new ATOM 0 HG3 MET A 27 7.902 -6.946 -5.394 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.670 -4.235 -7.103 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.760 -5.553 -5.909 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.056 -5.854 -7.516 1.00 1.00 H new ATOM 432 N THR A 28 3.765 -7.932 -8.133 1.00 1.00 N ATOM 433 CA THR A 28 2.990 -8.134 -9.352 1.00 1.00 C ATOM 434 C THR A 28 1.513 -7.825 -9.117 1.00 1.00 C ATOM 435 O THR A 28 0.779 -7.508 -10.054 1.00 1.00 O ATOM 436 CB THR A 28 3.139 -9.580 -9.832 1.00 1.00 C ATOM 437 OG1 THR A 28 4.485 -9.997 -9.662 1.00 1.00 O ATOM 438 CG2 THR A 28 2.757 -9.670 -11.309 1.00 1.00 C ATOM 0 H THR A 28 4.260 -8.761 -7.803 1.00 1.00 H new ATOM 0 HA THR A 28 3.371 -7.454 -10.114 1.00 1.00 H new ATOM 0 HB THR A 28 2.482 -10.227 -9.250 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.641 -10.222 -8.721 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.863 -10.700 -11.650 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.723 -9.350 -11.438 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.412 -9.024 -11.894 1.00 1.00 H new ATOM 446 N ALA A 29 1.080 -7.927 -7.864 1.00 1.00 N ATOM 447 CA ALA A 29 -0.314 -7.663 -7.524 1.00 1.00 C ATOM 448 C ALA A 29 -0.619 -6.169 -7.582 1.00 1.00 C ATOM 449 O ALA A 29 -1.736 -5.768 -7.904 1.00 1.00 O ATOM 450 CB ALA A 29 -0.615 -8.192 -6.120 1.00 1.00 C ATOM 0 H ALA A 29 1.669 -8.188 -7.073 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.944 -8.173 -8.253 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.657 -7.992 -5.872 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.434 -9.267 -6.090 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.032 -7.695 -5.397 1.00 1.00 H new ATOM 456 N LEU A 30 0.377 -5.350 -7.262 1.00 1.00 N ATOM 457 CA LEU A 30 0.202 -3.901 -7.274 1.00 1.00 C ATOM 458 C LEU A 30 0.801 -3.289 -8.539 1.00 1.00 C ATOM 459 O LEU A 30 0.884 -2.067 -8.668 1.00 1.00 O ATOM 460 CB LEU A 30 0.866 -3.282 -6.043 1.00 1.00 C ATOM 461 CG LEU A 30 0.017 -3.571 -4.801 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.916 -3.606 -3.563 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.032 -2.469 -4.632 1.00 1.00 C ATOM 0 H LEU A 30 1.310 -5.662 -6.992 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.867 -3.689 -7.257 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.868 -3.691 -5.914 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.975 -2.206 -6.179 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.479 -4.534 -4.919 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.311 -3.812 -2.680 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.666 -4.389 -3.680 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.412 -2.643 -3.446 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.636 -2.674 -3.748 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.533 -1.507 -4.515 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.674 -2.440 -5.512 1.00 1.00 H new ATOM 475 N SER A 31 1.226 -4.143 -9.463 1.00 1.00 N ATOM 476 CA SER A 31 1.826 -3.676 -10.706 1.00 1.00 C ATOM 477 C SER A 31 0.832 -2.868 -11.546 1.00 1.00 C ATOM 478 O SER A 31 1.137 -1.747 -11.958 1.00 1.00 O ATOM 479 CB SER A 31 2.343 -4.862 -11.520 1.00 1.00 C ATOM 480 OG SER A 31 3.762 -4.811 -11.574 1.00 1.00 O ATOM 0 H SER A 31 1.167 -5.157 -9.375 1.00 1.00 H new ATOM 0 HA SER A 31 2.657 -3.021 -10.444 1.00 1.00 H new ATOM 0 HB2 SER A 31 2.018 -5.798 -11.066 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.928 -4.835 -12.528 1.00 1.00 H new ATOM 0 HG SER A 31 4.097 -5.571 -12.094 1.00 1.00 H new ATOM 486 N PRO A 32 -0.335 -3.400 -11.817 1.00 1.00 N ATOM 487 CA PRO A 32 -1.360 -2.691 -12.635 1.00 1.00 C ATOM 488 C PRO A 32 -2.102 -1.623 -11.838 1.00 1.00 C ATOM 489 O PRO A 32 -2.944 -0.904 -12.377 1.00 1.00 O ATOM 490 CB PRO A 32 -2.309 -3.808 -13.065 1.00 1.00 C ATOM 491 CG PRO A 32 -2.209 -4.848 -12.000 1.00 1.00 C ATOM 492 CD PRO A 32 -0.813 -4.726 -11.380 1.00 1.00 C ATOM 0 HA PRO A 32 -0.914 -2.154 -13.472 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.331 -3.440 -13.160 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.025 -4.212 -14.036 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -2.980 -4.700 -11.244 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.359 -5.843 -12.418 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.853 -4.796 -10.293 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.153 -5.521 -11.727 1.00 1.00 H new ATOM 500 N TYR A 33 -1.784 -1.526 -10.554 1.00 1.00 N ATOM 501 CA TYR A 33 -2.431 -0.541 -9.692 1.00 1.00 C ATOM 502 C TYR A 33 -1.570 0.713 -9.559 1.00 1.00 C ATOM 503 O TYR A 33 -2.086 1.809 -9.343 1.00 1.00 O ATOM 504 CB TYR A 33 -2.683 -1.141 -8.307 1.00 1.00 C ATOM 505 CG TYR A 33 -3.795 -2.155 -8.394 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.510 -3.484 -8.728 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.116 -1.766 -8.137 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.544 -4.424 -8.806 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.150 -2.706 -8.215 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.864 -4.036 -8.549 1.00 1.00 C ATOM 511 OH TYR A 33 -6.883 -4.962 -8.626 1.00 1.00 O ATOM 0 H TYR A 33 -1.089 -2.110 -10.088 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.382 -0.264 -10.146 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.775 -1.613 -7.932 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.948 -0.354 -7.601 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.492 -3.784 -8.926 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.337 -0.741 -7.879 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.323 -5.449 -9.065 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.169 -2.406 -8.018 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.736 -4.528 -8.417 1.00 1.00 H new ATOM 521 N ALA A 34 -0.257 0.545 -9.690 1.00 1.00 N ATOM 522 CA ALA A 34 0.661 1.671 -9.579 1.00 1.00 C ATOM 523 C ALA A 34 2.081 1.236 -9.916 1.00 1.00 C ATOM 524 O ALA A 34 2.304 0.124 -10.393 1.00 1.00 O ATOM 525 CB ALA A 34 0.622 2.240 -8.160 1.00 1.00 C ATOM 0 H ALA A 34 0.191 -0.353 -9.872 1.00 1.00 H new ATOM 0 HA ALA A 34 0.351 2.441 -10.286 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.311 3.081 -8.086 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.389 2.578 -7.931 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.916 1.467 -7.450 1.00 1.00 H new ATOM 531 N SER A 35 3.034 2.126 -9.662 1.00 1.00 N ATOM 532 CA SER A 35 4.437 1.834 -9.936 1.00 1.00 C ATOM 533 C SER A 35 5.199 1.637 -8.631 1.00 1.00 C ATOM 534 O SER A 35 5.266 2.543 -7.800 1.00 1.00 O ATOM 535 CB SER A 35 5.065 2.984 -10.725 1.00 1.00 C ATOM 536 OG SER A 35 6.451 2.727 -10.906 1.00 1.00 O ATOM 0 H SER A 35 2.862 3.051 -9.269 1.00 1.00 H new ATOM 0 HA SER A 35 4.494 0.918 -10.524 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.573 3.088 -11.692 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.924 3.925 -10.193 1.00 1.00 H new ATOM 0 HG SER A 35 6.856 3.461 -11.413 1.00 1.00 H new ATOM 542 N LEU A 36 5.768 0.447 -8.458 1.00 1.00 N ATOM 543 CA LEU A 36 6.523 0.140 -7.247 1.00 1.00 C ATOM 544 C LEU A 36 8.017 0.093 -7.546 1.00 1.00 C ATOM 545 O LEU A 36 8.427 0.014 -8.704 1.00 1.00 O ATOM 546 CB LEU A 36 6.073 -1.203 -6.662 1.00 1.00 C ATOM 547 CG LEU A 36 5.119 -1.911 -7.626 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.882 -3.342 -7.143 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.783 -1.166 -7.669 1.00 1.00 C ATOM 0 H LEU A 36 5.722 -0.315 -9.135 1.00 1.00 H new ATOM 0 HA LEU A 36 6.332 0.928 -6.519 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.942 -1.833 -6.471 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.579 -1.042 -5.704 1.00 1.00 H new ATOM 0 HG LEU A 36 5.559 -1.926 -8.623 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.202 -3.849 -7.828 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.831 -3.877 -7.111 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.443 -3.321 -6.145 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.106 -1.673 -8.357 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.343 -1.150 -6.672 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.947 -0.144 -8.009 1.00 1.00 H new ATOM 561 N ALA A 37 8.825 0.144 -6.494 1.00 1.00 N ATOM 562 CA ALA A 37 10.275 0.111 -6.652 1.00 1.00 C ATOM 563 C ALA A 37 10.923 -0.646 -5.495 1.00 1.00 C ATOM 564 O ALA A 37 10.618 -0.396 -4.330 1.00 1.00 O ATOM 565 CB ALA A 37 10.823 1.540 -6.716 1.00 1.00 C ATOM 0 H ALA A 37 8.504 0.208 -5.528 1.00 1.00 H new ATOM 0 HA ALA A 37 10.514 -0.407 -7.581 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.906 1.509 -6.834 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.380 2.062 -7.564 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.573 2.067 -5.795 1.00 1.00 H new ATOM 571 N VAL A 38 11.810 -1.579 -5.827 1.00 1.00 N ATOM 572 CA VAL A 38 12.491 -2.379 -4.814 1.00 1.00 C ATOM 573 C VAL A 38 13.063 -1.500 -3.700 1.00 1.00 C ATOM 574 O VAL A 38 13.011 -1.866 -2.525 1.00 1.00 O ATOM 575 CB VAL A 38 13.623 -3.178 -5.460 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.086 -4.277 -4.502 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.121 -3.813 -6.759 1.00 1.00 C ATOM 0 H VAL A 38 12.074 -1.800 -6.787 1.00 1.00 H new ATOM 0 HA VAL A 38 11.759 -3.057 -4.375 1.00 1.00 H new ATOM 0 HB VAL A 38 14.458 -2.512 -5.678 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.893 -4.846 -4.964 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.443 -3.826 -3.576 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.252 -4.943 -4.282 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.927 -4.383 -7.221 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.286 -4.478 -6.540 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.792 -3.031 -7.443 1.00 1.00 H new ATOM 587 N ASN A 39 13.623 -0.355 -4.076 1.00 1.00 N ATOM 588 CA ASN A 39 14.221 0.552 -3.097 1.00 1.00 C ATOM 589 C ASN A 39 13.164 1.423 -2.418 1.00 1.00 C ATOM 590 O ASN A 39 13.495 2.280 -1.599 1.00 1.00 O ATOM 591 CB ASN A 39 15.253 1.448 -3.784 1.00 1.00 C ATOM 592 CG ASN A 39 16.495 0.637 -4.131 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.793 -0.358 -3.469 1.00 1.00 O ATOM 594 ND2 ASN A 39 17.245 1.004 -5.134 1.00 1.00 N ATOM 0 H ASN A 39 13.676 -0.033 -5.042 1.00 1.00 H new ATOM 0 HA ASN A 39 14.704 -0.055 -2.332 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.826 1.881 -4.689 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.521 2.277 -3.129 1.00 1.00 H new ATOM 0 HD21 ASN A 39 18.079 0.467 -5.371 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.997 1.828 -5.681 1.00 1.00 H new ATOM 601 N ASN A 40 11.897 1.200 -2.761 1.00 1.00 N ATOM 602 CA ASN A 40 10.802 1.976 -2.174 1.00 1.00 C ATOM 603 C ASN A 40 9.880 1.080 -1.348 1.00 1.00 C ATOM 604 O ASN A 40 8.881 1.547 -0.802 1.00 1.00 O ATOM 605 CB ASN A 40 9.993 2.657 -3.284 1.00 1.00 C ATOM 606 CG ASN A 40 9.750 4.127 -2.962 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.754 4.526 -1.799 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.529 4.960 -3.941 1.00 1.00 N ATOM 0 H ASN A 40 11.603 0.495 -3.437 1.00 1.00 H new ATOM 0 HA ASN A 40 11.233 2.731 -1.517 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.526 2.572 -4.231 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.038 2.146 -3.408 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.359 5.946 -3.743 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.526 4.625 -4.905 1.00 1.00 H new ATOM 615 N ILE A 41 10.221 -0.205 -1.256 1.00 1.00 N ATOM 616 CA ILE A 41 9.417 -1.147 -0.490 1.00 1.00 C ATOM 617 C ILE A 41 10.303 -1.966 0.442 1.00 1.00 C ATOM 618 O ILE A 41 11.383 -2.410 0.052 1.00 1.00 O ATOM 619 CB ILE A 41 8.659 -2.074 -1.439 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.640 -3.006 -2.158 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.905 -1.240 -2.475 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.908 -3.753 -3.275 1.00 1.00 C ATOM 0 H ILE A 41 11.044 -0.612 -1.700 1.00 1.00 H new ATOM 0 HA ILE A 41 8.701 -0.588 0.112 1.00 1.00 H new ATOM 0 HB ILE A 41 7.953 -2.671 -0.862 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.468 -2.430 -2.572 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.068 -3.716 -1.451 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.365 -1.902 -3.152 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.198 -0.583 -1.968 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.614 -0.639 -3.045 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.605 -4.416 -3.787 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.095 -4.341 -2.848 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.501 -3.035 -3.987 1.00 1.00 H new ATOM 634 N ARG A 42 9.842 -2.157 1.675 1.00 1.00 N ATOM 635 CA ARG A 42 10.604 -2.919 2.659 1.00 1.00 C ATOM 636 C ARG A 42 9.719 -3.949 3.351 1.00 1.00 C ATOM 637 O ARG A 42 8.761 -3.598 4.041 1.00 1.00 O ATOM 638 CB ARG A 42 11.198 -1.971 3.704 1.00 1.00 C ATOM 639 CG ARG A 42 12.201 -2.732 4.576 1.00 1.00 C ATOM 640 CD ARG A 42 12.949 -1.741 5.471 1.00 1.00 C ATOM 641 NE ARG A 42 13.807 -0.882 4.664 1.00 1.00 N ATOM 642 CZ ARG A 42 14.820 -0.215 5.208 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.059 -0.321 6.486 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.576 0.544 4.463 1.00 1.00 N ATOM 0 H ARG A 42 8.950 -1.797 2.015 1.00 1.00 H new ATOM 0 HA ARG A 42 11.407 -3.442 2.140 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.691 -1.133 3.211 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.405 -1.554 4.324 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.682 -3.471 5.187 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.906 -3.276 3.948 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.236 -1.134 6.029 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.549 -2.282 6.203 1.00 1.00 H new ATOM 0 HE ARG A 42 13.627 -0.791 3.664 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.469 -0.916 7.068 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.836 0.191 6.904 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.390 0.625 3.463 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.353 1.056 4.880 1.00 1.00 H new ATOM 658 N LEU A 43 10.054 -5.221 3.170 1.00 1.00 N ATOM 659 CA LEU A 43 9.291 -6.302 3.788 1.00 1.00 C ATOM 660 C LEU A 43 9.936 -6.700 5.111 1.00 1.00 C ATOM 661 O LEU A 43 10.995 -7.327 5.132 1.00 1.00 O ATOM 662 CB LEU A 43 9.256 -7.517 2.851 1.00 1.00 C ATOM 663 CG LEU A 43 7.809 -7.953 2.584 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.114 -8.284 3.905 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.043 -6.833 1.875 1.00 1.00 C ATOM 0 H LEU A 43 10.844 -5.530 2.604 1.00 1.00 H new ATOM 0 HA LEU A 43 8.273 -5.957 3.971 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.747 -7.271 1.909 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.814 -8.342 3.295 1.00 1.00 H new ATOM 0 HG LEU A 43 7.822 -8.838 1.948 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.087 -8.593 3.709 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.647 -9.093 4.404 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.111 -7.402 4.546 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.018 -7.154 1.691 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.037 -5.942 2.503 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.528 -6.605 0.926 1.00 1.00 H new ATOM 677 N ILE A 44 9.295 -6.327 6.213 1.00 1.00 N ATOM 678 CA ILE A 44 9.823 -6.647 7.535 1.00 1.00 C ATOM 679 C ILE A 44 9.943 -8.159 7.712 1.00 1.00 C ATOM 680 O ILE A 44 8.960 -8.843 7.994 1.00 1.00 O ATOM 681 CB ILE A 44 8.909 -6.065 8.615 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.396 -6.512 9.995 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.475 -6.554 8.397 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.329 -5.332 10.966 1.00 1.00 C ATOM 0 H ILE A 44 8.417 -5.808 6.219 1.00 1.00 H new ATOM 0 HA ILE A 44 10.816 -6.207 7.630 1.00 1.00 H new ATOM 0 HB ILE A 44 8.932 -4.977 8.556 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.780 -7.334 10.361 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.418 -6.885 9.929 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.827 -6.137 9.168 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.126 -6.231 7.416 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.450 -7.642 8.451 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.676 -5.650 11.949 1.00 1.00 H new ATOM 0 HD12 ILE A 44 9.963 -4.524 10.601 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.300 -4.980 11.040 1.00 1.00 H new ATOM 817 N ASN A 52 7.532 -12.428 6.319 1.00 1.00 N ATOM 818 CA ASN A 52 6.673 -11.339 6.778 1.00 1.00 C ATOM 819 C ASN A 52 5.920 -11.736 8.043 1.00 1.00 C ATOM 820 O ASN A 52 5.328 -12.815 8.111 1.00 1.00 O ATOM 821 CB ASN A 52 5.666 -10.985 5.685 1.00 1.00 C ATOM 822 CG ASN A 52 4.382 -11.776 5.895 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.458 -11.301 6.556 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.268 -12.966 5.372 1.00 1.00 N ATOM 0 HA ASN A 52 7.302 -10.477 7.001 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.454 -9.916 5.705 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.086 -11.208 4.704 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.413 -13.504 5.510 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.034 -13.358 4.825 1.00 1.00 H new ATOM 831 N ARG A 53 5.942 -10.862 9.042 1.00 1.00 N ATOM 832 CA ARG A 53 5.253 -11.140 10.298 1.00 1.00 C ATOM 833 C ARG A 53 3.772 -10.784 10.187 1.00 1.00 C ATOM 834 O ARG A 53 3.120 -10.480 11.185 1.00 1.00 O ATOM 835 CB ARG A 53 5.889 -10.339 11.437 1.00 1.00 C ATOM 836 CG ARG A 53 7.164 -11.039 11.907 1.00 1.00 C ATOM 837 CD ARG A 53 7.891 -10.145 12.913 1.00 1.00 C ATOM 838 NE ARG A 53 6.928 -9.418 13.732 1.00 1.00 N ATOM 839 CZ ARG A 53 7.255 -8.272 14.320 1.00 1.00 C ATOM 840 NH1 ARG A 53 8.453 -7.779 14.168 1.00 1.00 N ATOM 841 NH2 ARG A 53 6.375 -7.638 15.047 1.00 1.00 N ATOM 0 H ARG A 53 6.424 -9.964 9.009 1.00 1.00 H new ATOM 0 HA ARG A 53 5.345 -12.205 10.511 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.120 -9.329 11.100 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.187 -10.246 12.266 1.00 1.00 H new ATOM 0 HG2 ARG A 53 6.919 -11.997 12.366 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.812 -11.250 11.056 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.536 -10.751 13.549 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.535 -9.441 12.386 1.00 1.00 H new ATOM 0 HE ARG A 53 5.988 -9.795 13.856 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.139 -8.273 13.598 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.704 -6.899 14.619 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.437 -8.022 15.163 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.625 -6.758 15.499 1.00 1.00 H new ATOM 855 N GLY A 54 3.243 -10.835 8.968 1.00 1.00 N ATOM 856 CA GLY A 54 1.834 -10.522 8.744 1.00 1.00 C ATOM 857 C GLY A 54 1.641 -9.072 8.297 1.00 1.00 C ATOM 858 O GLY A 54 0.510 -8.612 8.142 1.00 1.00 O ATOM 0 H GLY A 54 3.762 -11.087 8.127 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.428 -11.193 7.987 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.272 -10.698 9.661 1.00 1.00 H new ATOM 862 N PHE A 55 2.744 -8.359 8.086 1.00 1.00 N ATOM 863 CA PHE A 55 2.671 -6.963 7.652 1.00 1.00 C ATOM 864 C PHE A 55 3.686 -6.691 6.543 1.00 1.00 C ATOM 865 O PHE A 55 4.572 -7.504 6.284 1.00 1.00 O ATOM 866 CB PHE A 55 2.936 -6.022 8.832 1.00 1.00 C ATOM 867 CG PHE A 55 2.948 -6.805 10.121 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.759 -7.344 10.626 1.00 1.00 C ATOM 869 CD2 PHE A 55 4.150 -6.984 10.817 1.00 1.00 C ATOM 870 CE1 PHE A 55 1.770 -8.063 11.826 1.00 1.00 C ATOM 871 CE2 PHE A 55 4.161 -7.705 12.019 1.00 1.00 C ATOM 872 CZ PHE A 55 2.972 -8.244 12.524 1.00 1.00 C ATOM 0 H PHE A 55 3.691 -8.718 8.206 1.00 1.00 H new ATOM 0 HA PHE A 55 1.668 -6.780 7.267 1.00 1.00 H new ATOM 0 HB2 PHE A 55 3.891 -5.514 8.696 1.00 1.00 H new ATOM 0 HB3 PHE A 55 2.167 -5.250 8.872 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.832 -7.205 10.089 1.00 1.00 H new ATOM 0 HD2 PHE A 55 5.067 -6.567 10.428 1.00 1.00 H new ATOM 0 HE1 PHE A 55 0.852 -8.479 12.215 1.00 1.00 H new ATOM 0 HE2 PHE A 55 5.088 -7.845 12.556 1.00 1.00 H new ATOM 0 HZ PHE A 55 2.981 -8.799 13.451 1.00 1.00 H new ATOM 882 N ALA A 56 3.543 -5.541 5.890 1.00 1.00 N ATOM 883 CA ALA A 56 4.444 -5.162 4.805 1.00 1.00 C ATOM 884 C ALA A 56 4.482 -3.644 4.656 1.00 1.00 C ATOM 885 O ALA A 56 3.443 -2.985 4.655 1.00 1.00 O ATOM 886 CB ALA A 56 3.965 -5.791 3.495 1.00 1.00 C ATOM 0 H ALA A 56 2.814 -4.857 6.092 1.00 1.00 H new ATOM 0 HA ALA A 56 5.446 -5.521 5.038 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.639 -5.507 2.687 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.956 -6.876 3.595 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.959 -5.439 3.269 1.00 1.00 H new ATOM 892 N PHE A 57 5.686 -3.093 4.529 1.00 1.00 N ATOM 893 CA PHE A 57 5.841 -1.651 4.380 1.00 1.00 C ATOM 894 C PHE A 57 6.072 -1.284 2.917 1.00 1.00 C ATOM 895 O PHE A 57 6.850 -1.936 2.219 1.00 1.00 O ATOM 896 CB PHE A 57 7.023 -1.163 5.223 1.00 1.00 C ATOM 897 CG PHE A 57 6.514 -0.648 6.548 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.109 0.686 6.674 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.450 -1.506 7.654 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.638 1.162 7.903 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.979 -1.029 8.883 1.00 1.00 C ATOM 902 CZ PHE A 57 5.574 0.304 9.008 1.00 1.00 C ATOM 0 H PHE A 57 6.560 -3.618 4.526 1.00 1.00 H new ATOM 0 HA PHE A 57 4.926 -1.169 4.723 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.730 -1.977 5.384 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.559 -0.374 4.695 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.160 1.348 5.822 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.764 -2.535 7.558 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.324 2.191 7.999 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.928 -1.691 9.735 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.212 0.672 9.957 1.00 1.00 H new ATOM 912 N VAL A 58 5.391 -0.239 2.458 1.00 1.00 N ATOM 913 CA VAL A 58 5.528 0.204 1.075 1.00 1.00 C ATOM 914 C VAL A 58 5.484 1.726 0.988 1.00 1.00 C ATOM 915 O VAL A 58 4.633 2.363 1.607 1.00 1.00 O ATOM 916 CB VAL A 58 4.399 -0.387 0.226 1.00 1.00 C ATOM 917 CG1 VAL A 58 3.116 0.415 0.449 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.787 -0.325 -1.252 1.00 1.00 C ATOM 0 H VAL A 58 4.743 0.314 3.019 1.00 1.00 H new ATOM 0 HA VAL A 58 6.491 -0.141 0.698 1.00 1.00 H new ATOM 0 HB VAL A 58 4.233 -1.424 0.516 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.313 -0.007 -0.156 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.838 0.371 1.502 1.00 1.00 H new ATOM 0 HG13 VAL A 58 3.281 1.453 0.160 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.984 -0.746 -1.857 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.954 0.713 -1.541 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.700 -0.898 -1.413 1.00 1.00 H new ATOM 928 N GLN A 59 6.399 2.300 0.208 1.00 1.00 N ATOM 929 CA GLN A 59 6.449 3.749 0.036 1.00 1.00 C ATOM 930 C GLN A 59 6.220 4.104 -1.428 1.00 1.00 C ATOM 931 O GLN A 59 6.589 3.342 -2.322 1.00 1.00 O ATOM 932 CB GLN A 59 7.805 4.294 0.499 1.00 1.00 C ATOM 933 CG GLN A 59 7.903 4.205 2.025 1.00 1.00 C ATOM 934 CD GLN A 59 9.208 3.526 2.424 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.989 4.086 3.195 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.492 2.348 1.945 1.00 1.00 N ATOM 0 H GLN A 59 7.111 1.787 -0.311 1.00 1.00 H new ATOM 0 HA GLN A 59 5.664 4.202 0.642 1.00 1.00 H new ATOM 0 HB2 GLN A 59 8.613 3.725 0.039 1.00 1.00 H new ATOM 0 HB3 GLN A 59 7.921 5.329 0.177 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.855 5.203 2.460 1.00 1.00 H new ATOM 0 HG3 GLN A 59 7.056 3.644 2.420 1.00 1.00 H new ATOM 0 HE21 GLN A 59 8.843 1.887 1.307 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.363 1.887 2.208 1.00 1.00 H new ATOM 945 N LEU A 60 5.605 5.260 -1.666 1.00 1.00 N ATOM 946 CA LEU A 60 5.326 5.697 -3.032 1.00 1.00 C ATOM 947 C LEU A 60 6.273 6.831 -3.424 1.00 1.00 C ATOM 948 O LEU A 60 6.941 7.415 -2.572 1.00 1.00 O ATOM 949 CB LEU A 60 3.869 6.178 -3.147 1.00 1.00 C ATOM 950 CG LEU A 60 2.923 5.013 -3.492 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.240 4.459 -4.886 1.00 1.00 C ATOM 952 CD2 LEU A 60 3.064 3.890 -2.462 1.00 1.00 C ATOM 0 H LEU A 60 5.293 5.905 -0.940 1.00 1.00 H new ATOM 0 HA LEU A 60 5.478 4.854 -3.706 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.559 6.635 -2.207 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.797 6.948 -3.915 1.00 1.00 H new ATOM 0 HG LEU A 60 1.901 5.392 -3.478 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.562 3.636 -5.113 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.115 5.248 -5.628 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.268 4.098 -4.909 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.389 3.074 -2.719 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.091 3.525 -2.460 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.812 4.271 -1.472 1.00 1.00 H new ATOM 964 N SER A 61 6.332 7.128 -4.719 1.00 1.00 N ATOM 965 CA SER A 61 7.211 8.185 -5.211 1.00 1.00 C ATOM 966 C SER A 61 6.798 9.548 -4.662 1.00 1.00 C ATOM 967 O SER A 61 7.649 10.394 -4.381 1.00 1.00 O ATOM 968 CB SER A 61 7.178 8.220 -6.739 1.00 1.00 C ATOM 969 OG SER A 61 8.225 9.059 -7.212 1.00 1.00 O ATOM 0 H SER A 61 5.787 6.657 -5.441 1.00 1.00 H new ATOM 0 HA SER A 61 8.223 7.968 -4.868 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.294 7.213 -7.140 1.00 1.00 H new ATOM 0 HB3 SER A 61 6.214 8.592 -7.085 1.00 1.00 H new ATOM 0 HG SER A 61 8.208 9.083 -8.192 1.00 1.00 H new ATOM 975 N SER A 62 5.495 9.752 -4.519 1.00 1.00 N ATOM 976 CA SER A 62 4.972 11.016 -4.007 1.00 1.00 C ATOM 977 C SER A 62 4.101 10.782 -2.777 1.00 1.00 C ATOM 978 O SER A 62 3.954 9.651 -2.315 1.00 1.00 O ATOM 979 CB SER A 62 4.149 11.716 -5.090 1.00 1.00 C ATOM 980 OG SER A 62 4.825 11.604 -6.337 1.00 1.00 O ATOM 0 H SER A 62 4.781 9.061 -4.749 1.00 1.00 H new ATOM 0 HA SER A 62 5.815 11.646 -3.724 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.158 11.267 -5.158 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.006 12.766 -4.833 1.00 1.00 H new ATOM 0 HG SER A 62 4.300 12.050 -7.035 1.00 1.00 H new ATOM 986 N ALA A 63 3.532 11.861 -2.250 1.00 1.00 N ATOM 987 CA ALA A 63 2.683 11.764 -1.068 1.00 1.00 C ATOM 988 C ALA A 63 1.256 11.385 -1.453 1.00 1.00 C ATOM 989 O ALA A 63 0.666 10.478 -0.866 1.00 1.00 O ATOM 990 CB ALA A 63 2.673 13.100 -0.324 1.00 1.00 C ATOM 0 H ALA A 63 3.642 12.806 -2.619 1.00 1.00 H new ATOM 0 HA ALA A 63 3.087 10.986 -0.420 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.037 13.021 0.558 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.688 13.354 -0.018 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.287 13.879 -0.981 1.00 1.00 H new ATOM 996 N MET A 64 0.704 12.088 -2.435 1.00 1.00 N ATOM 997 CA MET A 64 -0.658 11.818 -2.881 1.00 1.00 C ATOM 998 C MET A 64 -0.790 10.386 -3.391 1.00 1.00 C ATOM 999 O MET A 64 -1.793 9.717 -3.139 1.00 1.00 O ATOM 1000 CB MET A 64 -1.046 12.794 -3.994 1.00 1.00 C ATOM 1001 CG MET A 64 -0.513 14.189 -3.658 1.00 1.00 C ATOM 1002 SD MET A 64 -1.573 15.439 -4.426 1.00 1.00 S ATOM 1003 CE MET A 64 -2.323 16.066 -2.903 1.00 1.00 C ATOM 0 H MET A 64 1.174 12.843 -2.934 1.00 1.00 H new ATOM 0 HA MET A 64 -1.327 11.948 -2.030 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.638 12.457 -4.947 1.00 1.00 H new ATOM 0 HB3 MET A 64 -2.130 12.824 -4.104 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.489 14.331 -2.578 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.511 14.295 -4.016 1.00 1.00 H new ATOM 0 HE1 MET A 64 -3.027 16.862 -3.145 1.00 1.00 H new ATOM 0 HE2 MET A 64 -2.850 15.257 -2.397 1.00 1.00 H new ATOM 0 HE3 MET A 64 -1.544 16.457 -2.248 1.00 1.00 H new ATOM 1013 N ASP A 65 0.225 9.923 -4.111 1.00 1.00 N ATOM 1014 CA ASP A 65 0.209 8.571 -4.656 1.00 1.00 C ATOM 1015 C ASP A 65 -0.243 7.565 -3.602 1.00 1.00 C ATOM 1016 O ASP A 65 -1.000 6.640 -3.899 1.00 1.00 O ATOM 1017 CB ASP A 65 1.603 8.194 -5.162 1.00 1.00 C ATOM 1018 CG ASP A 65 1.733 8.555 -6.637 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.046 9.467 -7.066 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.511 7.909 -7.320 1.00 1.00 O ATOM 0 H ASP A 65 1.064 10.460 -4.330 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.498 8.547 -5.485 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.364 8.716 -4.582 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.774 7.126 -5.023 1.00 1.00 H new ATOM 1025 N ALA A 66 0.227 7.745 -2.372 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.140 6.842 -1.286 1.00 1.00 C ATOM 1027 C ALA A 66 -1.654 6.785 -1.123 1.00 1.00 C ATOM 1028 O ALA A 66 -2.255 5.712 -1.191 1.00 1.00 O ATOM 1029 CB ALA A 66 0.499 7.307 0.023 1.00 1.00 C ATOM 0 H ALA A 66 0.857 8.501 -2.103 1.00 1.00 H new ATOM 0 HA ALA A 66 0.225 5.845 -1.532 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.219 6.626 0.827 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.584 7.315 -0.084 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.151 8.312 0.261 1.00 1.00 H new ATOM 1035 N SER A 67 -2.267 7.944 -0.908 1.00 1.00 N ATOM 1036 CA SER A 67 -3.714 8.010 -0.737 1.00 1.00 C ATOM 1037 C SER A 67 -4.419 7.500 -1.988 1.00 1.00 C ATOM 1038 O SER A 67 -5.427 6.798 -1.902 1.00 1.00 O ATOM 1039 CB SER A 67 -4.141 9.451 -0.458 1.00 1.00 C ATOM 1040 OG SER A 67 -3.915 10.241 -1.618 1.00 1.00 O ATOM 0 H SER A 67 -1.790 8.843 -0.848 1.00 1.00 H new ATOM 0 HA SER A 67 -3.994 7.381 0.108 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.195 9.483 -0.182 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.578 9.852 0.385 1.00 1.00 H new ATOM 0 HG SER A 67 -2.998 10.102 -1.935 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.880 7.856 -3.148 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.460 7.431 -4.412 1.00 1.00 C ATOM 1048 C GLN A 68 -4.527 5.910 -4.486 1.00 1.00 C ATOM 1049 O GLN A 68 -5.594 5.336 -4.705 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.612 7.962 -5.570 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.474 8.820 -6.496 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.699 9.160 -7.764 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.527 10.333 -8.093 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.217 8.196 -8.502 1.00 1.00 N ATOM 0 H GLN A 68 -3.046 8.436 -3.238 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.472 7.830 -4.483 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.781 8.552 -5.183 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.181 7.131 -6.127 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.390 8.287 -6.752 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.771 9.736 -5.985 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.360 7.224 -8.228 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.697 8.415 -9.352 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.383 5.261 -4.299 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.326 3.804 -4.347 1.00 1.00 C ATOM 1065 C LEU A 69 -4.232 3.207 -3.276 1.00 1.00 C ATOM 1066 O LEU A 69 -4.706 2.078 -3.404 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.887 3.322 -4.130 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.593 2.131 -5.047 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.145 1.681 -4.847 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.535 0.975 -4.707 1.00 1.00 C ATOM 0 H LEU A 69 -2.489 5.716 -4.114 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.668 3.476 -5.329 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.188 4.132 -4.336 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.744 3.034 -3.088 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.744 2.428 -6.085 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.066 0.833 -5.499 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.528 2.503 -5.091 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.004 1.386 -3.808 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.324 0.129 -5.361 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.386 0.677 -3.669 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.568 1.294 -4.848 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.474 3.976 -2.222 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.330 3.517 -1.133 1.00 1.00 C ATOM 1084 C LEU A 70 -6.797 3.684 -1.510 1.00 1.00 C ATOM 1085 O LEU A 70 -7.633 2.847 -1.173 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.025 4.314 0.144 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.787 3.364 1.326 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.294 4.169 2.528 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.093 2.658 1.700 1.00 1.00 C ATOM 0 H LEU A 70 -4.093 4.914 -2.097 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.131 2.461 -0.951 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.145 4.938 -0.011 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.855 4.983 0.369 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.042 2.620 1.043 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.124 3.498 3.370 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.362 4.673 2.271 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.044 4.911 2.801 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.916 1.986 2.539 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.840 3.400 1.981 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.454 2.085 0.846 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.103 4.766 -2.216 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.473 5.025 -2.639 1.00 1.00 C ATOM 1103 C GLN A 71 -8.796 4.250 -3.916 1.00 1.00 C ATOM 1104 O GLN A 71 -9.951 3.915 -4.175 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.666 6.523 -2.881 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.033 6.766 -3.520 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.623 8.074 -3.003 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.131 8.126 -1.881 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.587 9.139 -3.756 1.00 1.00 N ATOM 0 H GLN A 71 -6.427 5.473 -2.506 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.149 4.695 -1.850 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.592 7.067 -1.939 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.877 6.902 -3.531 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.935 6.805 -4.605 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.704 5.938 -3.290 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -10.166 9.093 -4.684 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.980 10.017 -3.417 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.765 3.974 -4.710 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.951 3.244 -5.961 1.00 1.00 C ATOM 1120 C ILE A 72 -8.222 1.766 -5.693 1.00 1.00 C ATOM 1121 O ILE A 72 -9.080 1.158 -6.334 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.703 3.388 -6.835 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.760 4.722 -7.583 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.647 2.241 -7.846 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.393 5.017 -8.205 1.00 1.00 C ATOM 0 H ILE A 72 -6.801 4.242 -4.512 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.812 3.665 -6.480 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.814 3.358 -6.205 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.524 4.683 -8.359 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.041 5.523 -6.899 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.757 2.346 -8.467 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.609 1.290 -7.315 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.535 2.269 -8.477 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.433 5.967 -8.738 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.640 5.073 -7.419 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.131 4.221 -8.902 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.484 1.191 -4.748 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.656 -0.221 -4.415 1.00 1.00 C ATOM 1139 C LEU A 73 -8.905 -0.429 -3.563 1.00 1.00 C ATOM 1140 O LEU A 73 -9.559 -1.468 -3.650 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.429 -0.735 -3.661 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.457 -2.267 -3.613 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.761 -2.833 -4.851 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.727 -2.749 -2.359 1.00 1.00 C ATOM 0 H LEU A 73 -6.769 1.674 -4.204 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.771 -0.779 -5.344 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.518 -0.393 -4.153 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.416 -0.330 -2.649 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.492 -2.609 -3.590 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.782 -3.922 -4.814 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.277 -2.490 -5.748 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.726 -2.491 -4.875 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.746 -3.838 -2.323 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.693 -2.405 -2.385 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.221 -2.348 -1.474 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.232 0.562 -2.741 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.410 0.464 -1.880 1.00 1.00 C ATOM 1158 C GLN A 74 -11.661 0.902 -2.634 1.00 1.00 C ATOM 1159 O GLN A 74 -12.780 0.711 -2.159 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.237 1.330 -0.628 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.095 0.777 0.229 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.866 1.684 1.431 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.234 1.224 2.475 1.00 1.00 O flip ATOM 1164 NE2 GLN A 74 -9.281 2.845 1.420 1.00 1.00 N flip ATOM 0 H GLN A 74 -8.708 1.432 -2.651 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.521 -0.578 -1.579 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.024 2.360 -0.913 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.163 1.343 -0.053 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.335 -0.232 0.564 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.183 0.707 -0.365 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -9.775 3.202 0.602 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -9.130 3.448 2.229 1.00 1.00 H new ATOM 1173 N SER A 75 -11.466 1.487 -3.813 1.00 1.00 N ATOM 1174 CA SER A 75 -12.590 1.940 -4.621 1.00 1.00 C ATOM 1175 C SER A 75 -13.350 0.741 -5.173 1.00 1.00 C ATOM 1176 O SER A 75 -14.557 0.809 -5.404 1.00 1.00 O ATOM 1177 CB SER A 75 -12.090 2.808 -5.776 1.00 1.00 C ATOM 1178 OG SER A 75 -12.198 4.179 -5.414 1.00 1.00 O ATOM 0 H SER A 75 -10.549 1.656 -4.225 1.00 1.00 H new ATOM 0 HA SER A 75 -13.258 2.531 -3.994 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.054 2.562 -6.009 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.674 2.610 -6.674 1.00 1.00 H new ATOM 0 HG SER A 75 -11.566 4.377 -4.692 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.631 -0.358 -5.373 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.244 -1.576 -5.889 1.00 1.00 C ATOM 1186 C LEU A 76 -14.185 -2.169 -4.845 1.00 1.00 C ATOM 1187 O LEU A 76 -13.863 -2.208 -3.658 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.163 -2.604 -6.255 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.233 -2.025 -7.328 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.865 -2.709 -7.249 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.831 -2.268 -8.720 1.00 1.00 C ATOM 0 H LEU A 76 -11.631 -0.431 -5.187 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.812 -1.327 -6.785 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.588 -2.871 -5.368 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.628 -3.519 -6.620 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.121 -0.954 -7.158 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.207 -2.295 -8.013 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.430 -2.539 -6.264 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.984 -3.780 -7.414 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.166 -1.855 -9.479 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.947 -3.339 -8.884 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.805 -1.783 -8.787 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.350 -2.626 -5.292 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.329 -3.209 -4.377 1.00 1.00 C ATOM 1205 C HIS A 77 -15.718 -4.364 -3.582 1.00 1.00 C ATOM 1206 O HIS A 77 -15.727 -4.340 -2.352 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.569 -3.692 -5.137 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.736 -2.806 -4.802 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.842 -1.508 -5.274 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.856 -3.018 -4.036 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -19.989 -0.992 -4.794 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.645 -1.872 -4.033 1.00 1.00 N ATOM 0 H HIS A 77 -15.639 -2.606 -6.270 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.631 -2.429 -3.678 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.381 -3.674 -6.211 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.794 -4.725 -4.870 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -20.089 -3.935 -3.515 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.336 0.010 -4.999 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.534 -1.734 -3.553 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.186 -5.367 -4.243 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.562 -6.532 -3.549 1.00 1.00 C ATOM 1222 C PRO A 78 -13.173 -6.189 -2.991 1.00 1.00 C ATOM 1223 O PRO A 78 -12.253 -5.924 -3.764 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.448 -7.584 -4.653 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.331 -6.807 -5.921 1.00 1.00 C ATOM 1226 CD PRO A 78 -15.113 -5.511 -5.714 1.00 1.00 C ATOM 0 HA PRO A 78 -15.147 -6.861 -2.690 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.578 -8.223 -4.500 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.322 -8.235 -4.669 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.287 -6.596 -6.151 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.735 -7.373 -6.761 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.607 -4.662 -6.173 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -16.106 -5.569 -6.159 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.986 -6.186 -1.684 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.659 -5.865 -1.079 1.00 1.00 C ATOM 1236 C PRO A 79 -10.526 -6.635 -1.754 1.00 1.00 C ATOM 1237 O PRO A 79 -10.753 -7.386 -2.701 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.806 -6.287 0.383 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.268 -6.214 0.672 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.995 -6.477 -0.648 1.00 1.00 C ATOM 0 HA PRO A 79 -11.402 -4.812 -1.195 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.424 -7.296 0.541 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.242 -5.626 1.041 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.551 -6.952 1.422 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.534 -5.235 1.071 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.344 -7.508 -0.711 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.871 -5.837 -0.754 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.308 -6.452 -1.257 1.00 1.00 N ATOM 1249 CA LEU A 80 -8.161 -7.146 -1.827 1.00 1.00 C ATOM 1250 C LEU A 80 -8.109 -8.578 -1.307 1.00 1.00 C ATOM 1251 O LEU A 80 -8.039 -8.802 -0.100 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.871 -6.404 -1.457 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.665 -7.062 -2.141 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.798 -6.955 -3.665 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.384 -6.353 -1.697 1.00 1.00 C ATOM 0 H LEU A 80 -9.091 -5.838 -0.472 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.259 -7.169 -2.912 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.944 -5.359 -1.760 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.735 -6.414 -0.376 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.626 -8.114 -1.859 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.937 -7.425 -4.139 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.709 -7.459 -3.987 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.843 -5.905 -3.953 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.525 -6.817 -2.181 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.434 -5.301 -1.978 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.279 -6.435 -0.615 1.00 1.00 H new ATOM 1267 N LYS A 81 -8.160 -9.541 -2.225 1.00 1.00 N ATOM 1268 CA LYS A 81 -8.131 -10.952 -1.847 1.00 1.00 C ATOM 1269 C LYS A 81 -6.961 -11.668 -2.512 1.00 1.00 C ATOM 1270 O LYS A 81 -6.895 -11.770 -3.737 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.447 -11.627 -2.250 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.658 -12.909 -1.429 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.603 -13.957 -1.793 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.181 -15.352 -1.552 1.00 1.00 C ATOM 1275 NZ LYS A 81 -8.073 -16.307 -1.261 1.00 1.00 N ATOM 0 H LYS A 81 -8.221 -9.372 -3.229 1.00 1.00 H new ATOM 0 HA LYS A 81 -8.006 -11.015 -0.766 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -10.280 -10.942 -2.089 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.431 -11.866 -3.313 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.600 -12.680 -0.365 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.655 -13.308 -1.616 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -8.308 -13.847 -2.837 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.706 -13.812 -1.191 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.882 -15.327 -0.718 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.739 -15.682 -2.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -8.113 -17.100 -1.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -7.160 -15.818 -1.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -8.173 -16.669 -0.291 1.00 1.00 H new ATOM 1289 N ILE A 82 -6.053 -12.173 -1.687 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.888 -12.898 -2.178 1.00 1.00 C ATOM 1291 C ILE A 82 -4.919 -14.327 -1.648 1.00 1.00 C ATOM 1292 O ILE A 82 -5.211 -14.542 -0.471 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.607 -12.196 -1.717 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.600 -10.759 -2.252 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -2.382 -12.944 -2.251 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.399 -9.997 -1.684 1.00 1.00 C ATOM 0 H ILE A 82 -6.101 -12.093 -0.671 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.906 -12.918 -3.268 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.572 -12.186 -0.628 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.554 -10.767 -3.341 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.526 -10.254 -1.976 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.474 -12.439 -1.919 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -2.387 -13.967 -1.874 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -2.411 -12.959 -3.341 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.400 -8.977 -2.068 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.463 -9.975 -0.596 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.477 -10.496 -1.983 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.638 -15.293 -2.525 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.650 -16.707 -2.141 1.00 1.00 C ATOM 1310 C ASP A 83 -4.236 -16.882 -0.682 1.00 1.00 C ATOM 1311 O ASP A 83 -3.057 -16.786 -0.344 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.695 -17.502 -3.035 1.00 1.00 C ATOM 1313 CG ASP A 83 -4.306 -17.683 -4.421 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -5.174 -16.901 -4.773 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.896 -18.604 -5.109 1.00 1.00 O ATOM 0 H ASP A 83 -4.400 -15.124 -3.502 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.667 -17.080 -2.264 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.740 -16.982 -3.115 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.491 -18.475 -2.589 1.00 1.00 H new ATOM 1320 N GLY A 84 -5.220 -17.135 0.175 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.956 -17.318 1.596 1.00 1.00 C ATOM 1322 C GLY A 84 -6.097 -16.758 2.440 1.00 1.00 C ATOM 1323 O GLY A 84 -6.702 -17.475 3.236 1.00 1.00 O ATOM 0 H GLY A 84 -6.202 -17.217 -0.089 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.826 -18.378 1.812 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -4.023 -16.821 1.863 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.384 -15.472 2.260 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.454 -14.825 3.013 1.00 1.00 C ATOM 1329 C LYS A 85 -7.673 -13.398 2.517 1.00 1.00 C ATOM 1330 O LYS A 85 -7.030 -12.955 1.566 1.00 1.00 O ATOM 1331 CB LYS A 85 -7.105 -14.802 4.502 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.586 -14.723 4.669 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.252 -14.056 6.005 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.918 -14.595 6.523 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.279 -13.573 7.400 1.00 1.00 N ATOM 0 H LYS A 85 -5.895 -14.862 1.605 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.372 -15.394 2.864 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.579 -13.947 4.984 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.489 -15.698 4.990 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -5.153 -15.723 4.632 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -5.148 -14.155 3.848 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.196 -12.975 5.880 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -6.042 -14.253 6.730 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -4.078 -15.519 7.079 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.261 -14.835 5.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.992 -14.015 8.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -2.441 -13.182 6.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.957 -12.808 7.592 1.00 1.00 H new ATOM 1349 N THR A 86 -8.586 -12.685 3.169 1.00 1.00 N ATOM 1350 CA THR A 86 -8.884 -11.309 2.789 1.00 1.00 C ATOM 1351 C THR A 86 -7.739 -10.380 3.174 1.00 1.00 C ATOM 1352 O THR A 86 -7.154 -10.514 4.250 1.00 1.00 O ATOM 1353 CB THR A 86 -10.174 -10.846 3.472 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.549 -9.574 2.961 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.945 -10.743 4.981 1.00 1.00 C ATOM 0 H THR A 86 -9.129 -13.035 3.958 1.00 1.00 H new ATOM 0 HA THR A 86 -9.012 -11.273 1.707 1.00 1.00 H new ATOM 0 HB THR A 86 -10.968 -11.566 3.275 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.375 -9.277 3.396 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.863 -10.413 5.467 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.657 -11.719 5.373 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.151 -10.023 5.180 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.425 -9.439 2.286 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.347 -8.484 2.530 1.00 1.00 C ATOM 1365 C ILE A 87 -6.897 -7.062 2.606 1.00 1.00 C ATOM 1366 O ILE A 87 -7.707 -6.653 1.769 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.311 -8.584 1.407 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.709 -9.996 1.392 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.208 -7.547 1.629 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.493 -10.066 2.320 1.00 1.00 C ATOM 0 H ILE A 87 -7.901 -9.318 1.392 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.875 -8.722 3.483 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.792 -8.389 0.449 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.458 -10.721 1.708 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.416 -10.263 0.377 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.472 -7.621 0.828 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.643 -6.548 1.631 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.721 -7.733 2.587 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -3.077 -11.073 2.299 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.738 -9.354 1.985 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.797 -9.820 3.337 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.459 -6.318 3.622 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.916 -4.944 3.816 1.00 1.00 C ATOM 1384 C GLY A 88 -5.786 -3.941 3.612 1.00 1.00 C ATOM 1385 O GLY A 88 -4.628 -4.322 3.430 1.00 1.00 O ATOM 0 H GLY A 88 -5.791 -6.643 4.320 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.725 -4.728 3.119 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.323 -4.834 4.821 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.134 -2.656 3.649 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.148 -1.593 3.472 1.00 1.00 C ATOM 1391 C VAL A 89 -5.310 -0.530 4.553 1.00 1.00 C ATOM 1392 O VAL A 89 -6.428 -0.172 4.924 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.319 -0.948 2.096 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.110 -0.061 1.794 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.425 -2.038 1.030 1.00 1.00 C ATOM 0 H VAL A 89 -7.088 -2.327 3.799 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.152 -2.029 3.550 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.226 -0.343 2.091 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.232 0.399 0.813 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.032 0.718 2.553 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.204 -0.667 1.801 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.547 -1.577 0.050 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.518 -2.643 1.037 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.286 -2.672 1.242 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.187 -0.026 5.057 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.219 0.999 6.093 1.00 1.00 C ATOM 1407 C ASP A 90 -3.109 2.021 5.872 1.00 1.00 C ATOM 1408 O ASP A 90 -2.113 1.736 5.208 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.050 0.353 7.472 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.303 -1.148 7.379 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -5.457 -1.527 7.260 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -3.341 -1.895 7.431 1.00 1.00 O ATOM 0 H ASP A 90 -3.251 -0.309 4.767 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.182 1.508 6.043 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.044 0.538 7.849 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.744 0.804 8.181 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.287 3.213 6.433 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.289 4.270 6.288 1.00 1.00 C ATOM 1419 C PHE A 91 -1.102 4.010 7.210 1.00 1.00 C ATOM 1420 O PHE A 91 -1.130 3.095 8.032 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.912 5.625 6.633 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.494 6.255 5.388 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.653 6.620 4.331 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.873 6.476 5.294 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.191 7.207 3.179 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.411 7.062 4.142 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.570 7.428 3.084 1.00 1.00 C ATOM 0 H PHE A 91 -4.104 3.471 6.987 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.942 4.280 5.255 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.691 5.496 7.384 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.158 6.282 7.065 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.589 6.449 4.404 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.522 6.194 6.110 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.542 7.489 2.363 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.475 7.232 4.069 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.985 7.880 2.195 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.059 4.823 7.066 1.00 1.00 N ATOM 1438 CA ALA A 92 1.133 4.672 7.894 1.00 1.00 C ATOM 1439 C ALA A 92 0.807 4.943 9.358 1.00 1.00 C ATOM 1440 O ALA A 92 0.458 6.063 9.731 1.00 1.00 O ATOM 1441 CB ALA A 92 2.219 5.641 7.423 1.00 1.00 C ATOM 0 H ALA A 92 -0.015 5.586 6.390 1.00 1.00 H new ATOM 0 HA ALA A 92 1.492 3.647 7.799 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.106 5.523 8.045 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.473 5.426 6.385 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.853 6.665 7.503 1.00 1.00 H new