USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 758 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 114 ASN : amide:sc= 1.35 K(o=1,f=-0.64) USER MOD Set 1.2: A 116 TYR OH : rot 60:sc= -0.315 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.84 K(o=-5.7,f=-12!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -175:sc= 0.345 (180deg=-0.387) USER MOD Set 2.3: A 86 HIS : no HE2:sc= -4.92! C(o=-5.7!,f=-7.3!) USER MOD Set 2.4: A 90 GLN : amide:sc= -0.266 K(o=-5.7,f=-7.9) USER MOD Single : A 29 ASN : amide:sc= 0.398 K(o=0.4,f=-5.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.84) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0159 (180deg=-0.179) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0303) USER MOD Single : A 41 SER OG : rot -39:sc= 0.21 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -138:sc= -0.245 (180deg=-2.93!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 49 GLN : amide:sc= -0.055 K(o=-0.055,f=-0.77) USER MOD Single : A 52 SER OG : rot 76:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.278) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc=-0.00215 (180deg=-0.103) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 83 SER OG : rot -49:sc= 0.162 USER MOD Single : A 84 ASN : amide:sc=-0.00761 K(o=-0.0076,f=-1.5!) USER MOD Single : A 97 ASN : amide:sc=-0.000243 K(o=-0.00024,f=-0.72) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 158:sc= 0.385 USER MOD Single : A 108 CYS SG : rot -110:sc= -7.85! USER MOD Single : A 109 TYR OH : rot 51:sc= 1.1 USER MOD Single : A 117 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.22) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -35:sc= 0.0131 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 3.499 17.286 0.930 1.00 0.00 N ATOM 181 CA ARG A 28 2.066 17.253 0.678 1.00 0.00 C ATOM 182 C ARG A 28 1.767 16.830 -0.756 1.00 0.00 C ATOM 183 O ARG A 28 0.759 16.185 -1.024 1.00 0.00 O ATOM 184 CB ARG A 28 1.430 18.609 1.017 1.00 0.00 C ATOM 185 CG ARG A 28 2.000 19.782 0.243 1.00 0.00 C ATOM 186 CD ARG A 28 1.152 20.065 -0.980 1.00 0.00 C ATOM 187 NE ARG A 28 1.741 21.084 -1.852 1.00 0.00 N ATOM 188 CZ ARG A 28 1.332 21.333 -3.099 1.00 0.00 C ATOM 189 NH1 ARG A 28 0.326 20.640 -3.617 1.00 0.00 N ATOM 190 NH2 ARG A 28 1.923 22.282 -3.822 1.00 0.00 N ATOM 0 HA ARG A 28 1.619 16.503 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.358 18.551 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.555 18.798 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.036 20.665 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.025 19.564 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.017 19.143 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.162 20.392 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 28 2.513 21.639 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.134 19.918 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.013 20.830 -4.569 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.691 22.822 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.608 22.469 -4.774 1.00 0.00 H new ATOM 204 N ASN A 29 2.651 17.190 -1.671 1.00 0.00 N ATOM 205 CA ASN A 29 2.569 16.702 -3.036 1.00 0.00 C ATOM 206 C ASN A 29 3.438 15.458 -3.150 1.00 0.00 C ATOM 207 O ASN A 29 4.380 15.307 -2.384 1.00 0.00 O ATOM 208 CB ASN A 29 2.995 17.778 -4.041 1.00 0.00 C ATOM 209 CG ASN A 29 4.418 18.278 -3.835 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.912 18.347 -2.707 1.00 0.00 O ATOM 211 ND2 ASN A 29 5.084 18.637 -4.922 1.00 0.00 N ATOM 0 H ASN A 29 3.434 17.819 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 29 1.536 16.450 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.903 17.377 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.309 18.622 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.040 18.985 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.641 18.566 -5.838 1.00 0.00 H new ATOM 218 N GLN A 30 3.150 14.605 -4.126 1.00 0.00 N ATOM 219 CA GLN A 30 3.575 13.204 -4.088 1.00 0.00 C ATOM 220 C GLN A 30 5.029 12.989 -4.526 1.00 0.00 C ATOM 221 O GLN A 30 5.333 13.005 -5.719 1.00 0.00 O ATOM 222 CB GLN A 30 2.668 12.394 -5.009 1.00 0.00 C ATOM 223 CG GLN A 30 2.070 11.151 -4.377 1.00 0.00 C ATOM 224 CD GLN A 30 1.346 10.299 -5.399 1.00 0.00 C ATOM 225 OE1 GLN A 30 1.725 10.276 -6.572 1.00 0.00 O ATOM 226 NE2 GLN A 30 0.314 9.594 -4.971 1.00 0.00 N ATOM 0 H GLN A 30 2.620 14.858 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 30 3.503 12.880 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.857 13.036 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.238 12.099 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.860 10.565 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.377 11.441 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.034 9.643 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.203 9.001 -5.620 1.00 0.00 H new ATOM 235 N PRO A 31 5.932 12.750 -3.555 1.00 0.00 N ATOM 236 CA PRO A 31 7.321 12.369 -3.813 1.00 0.00 C ATOM 237 C PRO A 31 7.448 10.879 -4.175 1.00 0.00 C ATOM 238 O PRO A 31 6.472 10.255 -4.613 1.00 0.00 O ATOM 239 CB PRO A 31 8.015 12.685 -2.488 1.00 0.00 C ATOM 240 CG PRO A 31 6.971 12.467 -1.459 1.00 0.00 C ATOM 241 CD PRO A 31 5.664 12.846 -2.104 1.00 0.00 C ATOM 0 HA PRO A 31 7.755 12.896 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.874 12.034 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.384 13.711 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.957 11.427 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.161 13.077 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.861 12.173 -1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.358 13.853 -1.822 1.00 0.00 H new ATOM 249 N LEU A 32 8.665 10.341 -4.077 1.00 0.00 N ATOM 250 CA LEU A 32 8.916 8.911 -4.288 1.00 0.00 C ATOM 251 C LEU A 32 7.945 8.035 -3.496 1.00 0.00 C ATOM 252 O LEU A 32 7.550 8.367 -2.377 1.00 0.00 O ATOM 253 CB LEU A 32 10.353 8.549 -3.895 1.00 0.00 C ATOM 254 CG LEU A 32 11.458 9.074 -4.822 1.00 0.00 C ATOM 255 CD1 LEU A 32 11.655 10.573 -4.663 1.00 0.00 C ATOM 256 CD2 LEU A 32 12.760 8.339 -4.552 1.00 0.00 C ATOM 0 H LEU A 32 9.501 10.879 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 32 8.764 8.719 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.540 8.927 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.433 7.463 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 32 11.149 8.888 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.445 10.909 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.727 11.090 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.935 10.796 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.537 8.719 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.059 8.496 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.620 7.273 -4.731 1.00 0.00 H new ATOM 268 N LYS A 33 7.573 6.909 -4.088 1.00 0.00 N ATOM 269 CA LYS A 33 6.620 5.991 -3.476 1.00 0.00 C ATOM 270 C LYS A 33 7.336 5.047 -2.516 1.00 0.00 C ATOM 271 O LYS A 33 7.707 3.927 -2.878 1.00 0.00 O ATOM 272 CB LYS A 33 5.869 5.197 -4.555 1.00 0.00 C ATOM 273 CG LYS A 33 4.745 5.970 -5.243 1.00 0.00 C ATOM 274 CD LYS A 33 5.227 7.271 -5.857 1.00 0.00 C ATOM 275 CE LYS A 33 4.068 8.192 -6.186 1.00 0.00 C ATOM 276 NZ LYS A 33 4.531 9.559 -6.541 1.00 0.00 N ATOM 0 H LYS A 33 7.919 6.607 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 33 5.892 6.572 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.583 4.870 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.450 4.298 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.303 5.347 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.959 6.183 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.906 7.771 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.794 7.059 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.497 7.775 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.394 8.247 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.708 10.180 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.125 9.934 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.084 9.521 -7.421 1.00 0.00 H new ATOM 290 N LYS A 34 7.552 5.527 -1.301 1.00 0.00 N ATOM 291 CA LYS A 34 8.253 4.759 -0.279 1.00 0.00 C ATOM 292 C LYS A 34 7.286 4.061 0.673 1.00 0.00 C ATOM 293 O LYS A 34 7.662 3.117 1.371 1.00 0.00 O ATOM 294 CB LYS A 34 9.181 5.675 0.499 1.00 0.00 C ATOM 295 CG LYS A 34 10.325 6.205 -0.343 1.00 0.00 C ATOM 296 CD LYS A 34 11.585 6.290 0.474 1.00 0.00 C ATOM 297 CE LYS A 34 11.507 7.448 1.445 1.00 0.00 C ATOM 298 NZ LYS A 34 12.356 7.236 2.645 1.00 0.00 N ATOM 0 H LYS A 34 7.250 6.452 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 34 8.833 3.984 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.608 6.514 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.586 5.134 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.485 5.553 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.071 7.190 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.735 5.359 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.445 6.416 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.817 8.363 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.472 7.590 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.270 8.055 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.045 6.377 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.348 7.127 2.353 1.00 0.00 H new ATOM 312 N GLU A 35 6.045 4.522 0.696 1.00 0.00 N ATOM 313 CA GLU A 35 5.042 3.972 1.598 1.00 0.00 C ATOM 314 C GLU A 35 4.348 2.768 0.956 1.00 0.00 C ATOM 315 O GLU A 35 4.361 2.599 -0.266 1.00 0.00 O ATOM 316 CB GLU A 35 4.026 5.054 1.972 1.00 0.00 C ATOM 317 CG GLU A 35 3.044 4.650 3.066 1.00 0.00 C ATOM 318 CD GLU A 35 3.727 4.192 4.341 1.00 0.00 C ATOM 319 OE1 GLU A 35 3.992 5.038 5.222 1.00 0.00 O ATOM 320 OE2 GLU A 35 3.985 2.976 4.475 1.00 0.00 O ATOM 0 H GLU A 35 5.707 5.277 0.100 1.00 0.00 H new ATOM 0 HA GLU A 35 5.534 3.630 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.565 5.944 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.463 5.330 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.394 5.495 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.406 3.848 2.695 1.00 0.00 H new ATOM 327 N LYS A 36 3.743 1.950 1.802 1.00 0.00 N ATOM 328 CA LYS A 36 3.144 0.681 1.401 1.00 0.00 C ATOM 329 C LYS A 36 1.630 0.813 1.242 1.00 0.00 C ATOM 330 O LYS A 36 1.010 1.693 1.839 1.00 0.00 O ATOM 331 CB LYS A 36 3.463 -0.361 2.473 1.00 0.00 C ATOM 332 CG LYS A 36 2.964 0.052 3.845 1.00 0.00 C ATOM 333 CD LYS A 36 3.573 -0.758 4.959 1.00 0.00 C ATOM 334 CE LYS A 36 3.318 -0.053 6.268 1.00 0.00 C ATOM 335 NZ LYS A 36 4.173 1.155 6.427 1.00 0.00 N ATOM 0 H LYS A 36 3.651 2.148 2.798 1.00 0.00 H new ATOM 0 HA LYS A 36 3.555 0.378 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.011 -1.314 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.541 -0.519 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.188 1.107 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.879 -0.052 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.140 -1.758 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.644 -0.877 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.268 0.236 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.505 -0.741 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.241 1.402 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.124 0.959 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.753 1.949 5.904 1.00 0.00 H new ATOM 349 N PRO A 37 1.008 -0.053 0.420 1.00 0.00 N ATOM 350 CA PRO A 37 -0.445 -0.072 0.260 1.00 0.00 C ATOM 351 C PRO A 37 -1.134 -0.682 1.477 1.00 0.00 C ATOM 352 O PRO A 37 -0.629 -1.630 2.078 1.00 0.00 O ATOM 353 CB PRO A 37 -0.673 -0.930 -0.992 1.00 0.00 C ATOM 354 CG PRO A 37 0.683 -1.197 -1.566 1.00 0.00 C ATOM 355 CD PRO A 37 1.653 -1.067 -0.424 1.00 0.00 C ATOM 0 HA PRO A 37 -0.862 0.930 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.179 -1.862 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.305 -0.409 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.731 -2.193 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.917 -0.487 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.788 -2.011 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.639 -0.748 -0.762 1.00 0.00 H new ATOM 363 N LYS A 38 -2.288 -0.140 1.836 1.00 0.00 N ATOM 364 CA LYS A 38 -2.948 -0.510 3.084 1.00 0.00 C ATOM 365 C LYS A 38 -4.226 -1.297 2.820 1.00 0.00 C ATOM 366 O LYS A 38 -4.942 -0.990 1.866 1.00 0.00 O ATOM 367 CB LYS A 38 -3.269 0.751 3.885 1.00 0.00 C ATOM 368 CG LYS A 38 -3.689 0.485 5.319 1.00 0.00 C ATOM 369 CD LYS A 38 -4.134 1.762 6.006 1.00 0.00 C ATOM 370 CE LYS A 38 -5.439 2.276 5.419 1.00 0.00 C ATOM 371 NZ LYS A 38 -6.584 1.390 5.761 1.00 0.00 N ATOM 0 H LYS A 38 -2.788 0.557 1.284 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.272 -1.147 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.392 1.399 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.066 1.296 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.502 -0.241 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.857 0.044 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.259 1.579 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.361 2.523 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.634 3.282 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.347 2.349 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.477 1.875 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.521 0.512 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.556 1.163 6.775 1.00 0.00 H new ATOM 385 N TRP A 39 -4.509 -2.253 3.730 1.00 0.00 N ATOM 386 CA TRP A 39 -5.607 -3.249 3.622 1.00 0.00 C ATOM 387 C TRP A 39 -5.081 -4.649 3.990 1.00 0.00 C ATOM 388 O TRP A 39 -5.836 -5.617 4.034 1.00 0.00 O ATOM 389 CB TRP A 39 -6.208 -3.335 2.203 1.00 0.00 C ATOM 390 CG TRP A 39 -5.538 -4.376 1.348 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.250 -4.359 0.904 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.117 -5.593 0.856 1.00 0.00 C ATOM 393 NE1 TRP A 39 -3.991 -5.485 0.164 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.119 -6.255 0.118 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.376 -6.186 0.964 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.340 -7.478 -0.505 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.594 -7.400 0.345 1.00 0.00 C ATOM 398 CH2 TRP A 39 -6.582 -8.034 -0.383 1.00 0.00 C ATOM 0 H TRP A 39 -3.966 -2.360 4.587 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.386 -2.917 4.308 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.272 -3.562 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.122 -2.363 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.537 -3.573 1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.101 -5.711 -0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.165 -5.704 1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.559 -7.970 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.564 -7.869 0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.786 -8.982 -0.858 1.00 0.00 H new ATOM 409 N LYS A 40 -3.784 -4.748 4.253 1.00 0.00 N ATOM 410 CA LYS A 40 -3.116 -6.031 4.343 1.00 0.00 C ATOM 411 C LYS A 40 -2.648 -6.274 5.771 1.00 0.00 C ATOM 412 O LYS A 40 -2.506 -5.335 6.554 1.00 0.00 O ATOM 413 CB LYS A 40 -1.916 -6.011 3.387 1.00 0.00 C ATOM 414 CG LYS A 40 -1.816 -7.204 2.447 1.00 0.00 C ATOM 415 CD LYS A 40 -1.126 -8.394 3.096 1.00 0.00 C ATOM 416 CE LYS A 40 -0.683 -9.411 2.052 1.00 0.00 C ATOM 417 NZ LYS A 40 -1.828 -9.947 1.265 1.00 0.00 N ATOM 0 H LYS A 40 -3.174 -3.946 4.408 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.800 -6.834 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.963 -5.101 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.002 -5.957 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.816 -7.497 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.267 -6.913 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.261 -8.051 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.804 -8.869 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.034 -8.946 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.167 -10.234 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.493 -10.707 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.548 -10.324 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.243 -9.184 0.692 1.00 0.00 H new ATOM 431 N SER A 41 -2.426 -7.538 6.103 1.00 0.00 N ATOM 432 CA SER A 41 -1.980 -7.913 7.431 1.00 0.00 C ATOM 433 C SER A 41 -0.590 -7.361 7.702 1.00 0.00 C ATOM 434 O SER A 41 0.341 -7.591 6.928 1.00 0.00 O ATOM 435 CB SER A 41 -1.959 -9.437 7.556 1.00 0.00 C ATOM 436 OG SER A 41 -3.226 -9.985 7.238 1.00 0.00 O ATOM 0 H SER A 41 -2.549 -8.323 5.464 1.00 0.00 H new ATOM 0 HA SER A 41 -2.672 -7.495 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.201 -9.851 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.680 -9.719 8.571 1.00 0.00 H new ATOM 0 HG SER A 41 -3.932 -9.405 7.593 1.00 0.00 H new ATOM 442 N ASP A 42 -0.470 -6.620 8.798 1.00 0.00 N ATOM 443 CA ASP A 42 0.810 -6.074 9.232 1.00 0.00 C ATOM 444 C ASP A 42 1.788 -7.196 9.539 1.00 0.00 C ATOM 445 O ASP A 42 3.002 -7.016 9.456 1.00 0.00 O ATOM 446 CB ASP A 42 0.622 -5.180 10.462 1.00 0.00 C ATOM 447 CG ASP A 42 -0.126 -5.865 11.588 1.00 0.00 C ATOM 448 OD1 ASP A 42 -1.375 -5.910 11.532 1.00 0.00 O ATOM 449 OD2 ASP A 42 0.520 -6.353 12.535 1.00 0.00 O ATOM 0 H ASP A 42 -1.253 -6.382 9.407 1.00 0.00 H new ATOM 0 HA ASP A 42 1.219 -5.468 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.599 -4.861 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.081 -4.280 10.170 1.00 0.00 H new ATOM 454 N TYR A 43 1.251 -8.352 9.899 1.00 0.00 N ATOM 455 CA TYR A 43 2.061 -9.542 10.079 1.00 0.00 C ATOM 456 C TYR A 43 1.279 -10.786 9.663 1.00 0.00 C ATOM 457 O TYR A 43 0.584 -11.395 10.476 1.00 0.00 O ATOM 458 CB TYR A 43 2.519 -9.667 11.529 1.00 0.00 C ATOM 459 CG TYR A 43 3.663 -10.638 11.712 1.00 0.00 C ATOM 460 CD1 TYR A 43 3.435 -12.002 11.839 1.00 0.00 C ATOM 461 CD2 TYR A 43 4.975 -10.187 11.748 1.00 0.00 C ATOM 462 CE1 TYR A 43 4.485 -12.890 11.995 1.00 0.00 C ATOM 463 CE2 TYR A 43 6.027 -11.066 11.906 1.00 0.00 C ATOM 464 CZ TYR A 43 5.777 -12.415 12.027 1.00 0.00 C ATOM 465 OH TYR A 43 6.826 -13.291 12.178 1.00 0.00 O ATOM 0 H TYR A 43 0.255 -8.489 10.072 1.00 0.00 H new ATOM 0 HA TYR A 43 2.943 -9.455 9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.823 -8.685 11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.677 -9.988 12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.422 -12.376 11.816 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.176 -9.130 11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.292 -13.948 12.091 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.042 -10.698 11.935 1.00 0.00 H new ATOM 0 HH TYR A 43 7.670 -12.793 12.179 1.00 0.00 H new ATOM 475 N PRO A 44 1.359 -11.162 8.380 1.00 0.00 N ATOM 476 CA PRO A 44 0.728 -12.378 7.867 1.00 0.00 C ATOM 477 C PRO A 44 1.507 -13.622 8.280 1.00 0.00 C ATOM 478 O PRO A 44 2.735 -13.637 8.225 1.00 0.00 O ATOM 479 CB PRO A 44 0.772 -12.208 6.342 1.00 0.00 C ATOM 480 CG PRO A 44 1.254 -10.813 6.105 1.00 0.00 C ATOM 481 CD PRO A 44 2.054 -10.435 7.318 1.00 0.00 C ATOM 0 HA PRO A 44 -0.282 -12.509 8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.442 -12.937 5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.213 -12.362 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.865 -10.760 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.416 -10.130 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.097 -10.740 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.050 -9.359 7.490 1.00 0.00 H new ATOM 489 N MET A 45 0.795 -14.663 8.691 1.00 0.00 N ATOM 490 CA MET A 45 1.444 -15.882 9.158 1.00 0.00 C ATOM 491 C MET A 45 1.160 -17.065 8.246 1.00 0.00 C ATOM 492 O MET A 45 2.023 -17.493 7.500 1.00 0.00 O ATOM 493 CB MET A 45 1.018 -16.210 10.589 1.00 0.00 C ATOM 494 CG MET A 45 1.695 -15.345 11.633 1.00 0.00 C ATOM 495 SD MET A 45 1.250 -15.806 13.317 1.00 0.00 S ATOM 496 CE MET A 45 -0.525 -15.571 13.276 1.00 0.00 C ATOM 0 H MET A 45 -0.224 -14.689 8.711 1.00 0.00 H new ATOM 0 HA MET A 45 2.518 -15.697 9.139 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.062 -16.091 10.675 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.241 -17.257 10.795 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.776 -15.419 11.514 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.427 -14.302 11.464 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.850 -15.089 14.198 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.789 -14.943 12.426 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.018 -16.538 13.179 1.00 0.00 H new ATOM 506 N THR A 46 -0.034 -17.617 8.322 1.00 0.00 N ATOM 507 CA THR A 46 -0.367 -18.769 7.501 1.00 0.00 C ATOM 508 C THR A 46 -1.474 -18.440 6.508 1.00 0.00 C ATOM 509 O THR A 46 -2.023 -17.337 6.537 1.00 0.00 O ATOM 510 CB THR A 46 -0.794 -19.960 8.377 1.00 0.00 C ATOM 511 OG1 THR A 46 -1.951 -19.600 9.150 1.00 0.00 O ATOM 512 CG2 THR A 46 0.338 -20.374 9.309 1.00 0.00 C ATOM 0 H THR A 46 -0.783 -17.294 8.935 1.00 0.00 H new ATOM 0 HA THR A 46 0.529 -19.040 6.943 1.00 0.00 H new ATOM 0 HB THR A 46 -1.035 -20.802 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.222 -20.360 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.016 -21.217 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.207 -20.664 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.601 -19.537 9.956 1.00 0.00 H new ATOM 520 N ASP A 47 -1.806 -19.389 5.640 1.00 0.00 N ATOM 521 CA ASP A 47 -2.907 -19.218 4.698 1.00 0.00 C ATOM 522 C ASP A 47 -4.214 -19.012 5.453 1.00 0.00 C ATOM 523 O ASP A 47 -5.025 -18.154 5.097 1.00 0.00 O ATOM 524 CB ASP A 47 -3.024 -20.437 3.777 1.00 0.00 C ATOM 525 CG ASP A 47 -4.209 -20.348 2.833 1.00 0.00 C ATOM 526 OD1 ASP A 47 -5.322 -20.753 3.228 1.00 0.00 O ATOM 527 OD2 ASP A 47 -4.029 -19.891 1.683 1.00 0.00 O ATOM 0 H ASP A 47 -1.327 -20.287 5.569 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.704 -18.339 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.108 -20.536 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.115 -21.338 4.384 1.00 0.00 H new ATOM 532 N GLY A 48 -4.392 -19.795 6.516 1.00 0.00 N ATOM 533 CA GLY A 48 -5.563 -19.664 7.361 1.00 0.00 C ATOM 534 C GLY A 48 -5.715 -18.255 7.892 1.00 0.00 C ATOM 535 O GLY A 48 -6.807 -17.689 7.873 1.00 0.00 O ATOM 0 H GLY A 48 -3.739 -20.523 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.453 -19.937 6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.490 -20.361 8.195 1.00 0.00 H new ATOM 539 N GLN A 49 -4.611 -17.677 8.347 1.00 0.00 N ATOM 540 CA GLN A 49 -4.612 -16.300 8.816 1.00 0.00 C ATOM 541 C GLN A 49 -4.831 -15.348 7.658 1.00 0.00 C ATOM 542 O GLN A 49 -5.629 -14.430 7.754 1.00 0.00 O ATOM 543 CB GLN A 49 -3.299 -15.957 9.515 1.00 0.00 C ATOM 544 CG GLN A 49 -3.069 -16.776 10.761 1.00 0.00 C ATOM 545 CD GLN A 49 -4.099 -16.500 11.840 1.00 0.00 C ATOM 546 OE1 GLN A 49 -4.644 -15.398 11.928 1.00 0.00 O ATOM 547 NE2 GLN A 49 -4.354 -17.487 12.678 1.00 0.00 N ATOM 0 H GLN A 49 -3.704 -18.141 8.401 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.427 -16.194 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.472 -16.116 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.297 -14.899 9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.092 -17.835 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.074 -16.564 11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.880 -18.384 12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.025 -17.353 13.435 1.00 0.00 H new ATOM 556 N LEU A 50 -4.128 -15.591 6.562 1.00 0.00 N ATOM 557 CA LEU A 50 -4.197 -14.732 5.385 1.00 0.00 C ATOM 558 C LEU A 50 -5.641 -14.575 4.912 1.00 0.00 C ATOM 559 O LEU A 50 -6.094 -13.462 4.671 1.00 0.00 O ATOM 560 CB LEU A 50 -3.310 -15.305 4.262 1.00 0.00 C ATOM 561 CG LEU A 50 -2.929 -14.339 3.126 1.00 0.00 C ATOM 562 CD1 LEU A 50 -4.094 -14.101 2.178 1.00 0.00 C ATOM 563 CD2 LEU A 50 -2.434 -13.016 3.696 1.00 0.00 C ATOM 0 H LEU A 50 -3.496 -16.385 6.461 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.825 -13.743 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.391 -15.682 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.824 -16.160 3.824 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.125 -14.803 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.787 -13.414 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.402 -15.048 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.930 -13.670 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.169 -12.344 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.221 -12.562 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.557 -13.193 4.319 1.00 0.00 H new ATOM 575 N ARG A 51 -6.359 -15.686 4.809 1.00 0.00 N ATOM 576 CA ARG A 51 -7.728 -15.664 4.298 1.00 0.00 C ATOM 577 C ARG A 51 -8.699 -15.066 5.321 1.00 0.00 C ATOM 578 O ARG A 51 -9.599 -14.301 4.961 1.00 0.00 O ATOM 579 CB ARG A 51 -8.162 -17.076 3.891 1.00 0.00 C ATOM 580 CG ARG A 51 -8.286 -18.043 5.053 1.00 0.00 C ATOM 581 CD ARG A 51 -8.197 -19.489 4.587 1.00 0.00 C ATOM 582 NE ARG A 51 -9.233 -19.829 3.612 1.00 0.00 N ATOM 583 CZ ARG A 51 -9.014 -20.572 2.526 1.00 0.00 C ATOM 584 NH1 ARG A 51 -7.781 -20.971 2.223 1.00 0.00 N ATOM 585 NH2 ARG A 51 -10.027 -20.902 1.734 1.00 0.00 N ATOM 0 H ARG A 51 -6.020 -16.612 5.071 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.751 -15.023 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.122 -17.016 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.442 -17.474 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.497 -17.844 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.236 -17.882 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.216 -19.665 4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.283 -20.151 5.449 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.177 -19.478 3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.998 -20.709 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.619 -21.539 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.972 -20.587 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.861 -21.470 0.903 1.00 0.00 H new ATOM 599 N SER A 52 -8.501 -15.394 6.593 1.00 0.00 N ATOM 600 CA SER A 52 -9.367 -14.888 7.650 1.00 0.00 C ATOM 601 C SER A 52 -9.156 -13.388 7.827 1.00 0.00 C ATOM 602 O SER A 52 -10.110 -12.622 7.977 1.00 0.00 O ATOM 603 CB SER A 52 -9.092 -15.628 8.960 1.00 0.00 C ATOM 604 OG SER A 52 -9.216 -17.032 8.784 1.00 0.00 O ATOM 0 H SER A 52 -7.751 -16.006 6.916 1.00 0.00 H new ATOM 0 HA SER A 52 -10.406 -15.062 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.089 -15.389 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.790 -15.290 9.727 1.00 0.00 H new ATOM 0 HG SER A 52 -8.429 -17.373 8.311 1.00 0.00 H new ATOM 610 N LYS A 53 -7.894 -12.974 7.788 1.00 0.00 N ATOM 611 CA LYS A 53 -7.548 -11.569 7.882 1.00 0.00 C ATOM 612 C LYS A 53 -7.930 -10.825 6.609 1.00 0.00 C ATOM 613 O LYS A 53 -8.292 -9.659 6.663 1.00 0.00 O ATOM 614 CB LYS A 53 -6.061 -11.424 8.167 1.00 0.00 C ATOM 615 CG LYS A 53 -5.682 -11.905 9.556 1.00 0.00 C ATOM 616 CD LYS A 53 -6.394 -11.105 10.629 1.00 0.00 C ATOM 617 CE LYS A 53 -6.401 -11.839 11.952 1.00 0.00 C ATOM 618 NZ LYS A 53 -7.002 -11.018 13.033 1.00 0.00 N ATOM 0 H LYS A 53 -7.093 -13.599 7.691 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.110 -11.125 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.496 -11.988 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.775 -10.378 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.934 -12.961 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.604 -11.820 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.904 -10.139 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.419 -10.906 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.959 -12.770 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.380 -12.108 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.524 -11.635 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.249 -10.521 13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.655 -10.323 12.619 1.00 0.00 H new ATOM 632 N ARG A 54 -7.855 -11.512 5.473 1.00 0.00 N ATOM 633 CA ARG A 54 -8.281 -10.947 4.193 1.00 0.00 C ATOM 634 C ARG A 54 -9.705 -10.418 4.304 1.00 0.00 C ATOM 635 O ARG A 54 -9.993 -9.286 3.922 1.00 0.00 O ATOM 636 CB ARG A 54 -8.204 -12.020 3.102 1.00 0.00 C ATOM 637 CG ARG A 54 -8.619 -11.551 1.721 1.00 0.00 C ATOM 638 CD ARG A 54 -8.517 -12.686 0.716 1.00 0.00 C ATOM 639 NE ARG A 54 -8.848 -12.254 -0.637 1.00 0.00 N ATOM 640 CZ ARG A 54 -8.277 -12.747 -1.732 1.00 0.00 C ATOM 641 NH1 ARG A 54 -7.386 -13.729 -1.636 1.00 0.00 N ATOM 642 NH2 ARG A 54 -8.605 -12.266 -2.923 1.00 0.00 N ATOM 0 H ARG A 54 -7.501 -12.467 5.411 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.619 -10.122 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.182 -12.395 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.837 -12.859 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.642 -11.176 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.985 -10.722 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.505 -13.091 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.187 -13.493 1.012 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.559 -11.531 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.139 -14.106 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.949 -14.106 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.295 -11.518 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.168 -12.643 -3.764 1.00 0.00 H new ATOM 656 N ASP A 55 -10.576 -11.248 4.858 1.00 0.00 N ATOM 657 CA ASP A 55 -11.969 -10.880 5.097 1.00 0.00 C ATOM 658 C ASP A 55 -12.065 -9.690 6.053 1.00 0.00 C ATOM 659 O ASP A 55 -12.705 -8.672 5.759 1.00 0.00 O ATOM 660 CB ASP A 55 -12.692 -12.087 5.690 1.00 0.00 C ATOM 661 CG ASP A 55 -14.112 -11.790 6.119 1.00 0.00 C ATOM 662 OD1 ASP A 55 -15.025 -11.864 5.268 1.00 0.00 O ATOM 663 OD2 ASP A 55 -14.324 -11.506 7.317 1.00 0.00 O ATOM 0 H ASP A 55 -10.340 -12.195 5.155 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.432 -10.587 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.704 -12.891 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.130 -12.451 6.550 1.00 0.00 H new ATOM 668 N GLU A 56 -11.400 -9.838 7.192 1.00 0.00 N ATOM 669 CA GLU A 56 -11.420 -8.842 8.258 1.00 0.00 C ATOM 670 C GLU A 56 -10.954 -7.472 7.762 1.00 0.00 C ATOM 671 O GLU A 56 -11.612 -6.457 7.988 1.00 0.00 O ATOM 672 CB GLU A 56 -10.529 -9.327 9.406 1.00 0.00 C ATOM 673 CG GLU A 56 -10.501 -8.410 10.614 1.00 0.00 C ATOM 674 CD GLU A 56 -9.856 -9.067 11.817 1.00 0.00 C ATOM 675 OE1 GLU A 56 -8.614 -9.006 11.951 1.00 0.00 O ATOM 676 OE2 GLU A 56 -10.587 -9.660 12.632 1.00 0.00 O ATOM 0 H GLU A 56 -10.829 -10.656 7.404 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.446 -8.724 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.871 -10.313 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.512 -9.447 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.956 -7.499 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.519 -8.113 10.866 1.00 0.00 H new ATOM 683 N PHE A 57 -9.821 -7.457 7.078 1.00 0.00 N ATOM 684 CA PHE A 57 -9.244 -6.225 6.562 1.00 0.00 C ATOM 685 C PHE A 57 -10.063 -5.657 5.415 1.00 0.00 C ATOM 686 O PHE A 57 -10.191 -4.444 5.289 1.00 0.00 O ATOM 687 CB PHE A 57 -7.819 -6.468 6.097 1.00 0.00 C ATOM 688 CG PHE A 57 -6.812 -6.505 7.218 1.00 0.00 C ATOM 689 CD1 PHE A 57 -6.338 -5.325 7.771 1.00 0.00 C ATOM 690 CD2 PHE A 57 -6.340 -7.708 7.715 1.00 0.00 C ATOM 691 CE1 PHE A 57 -5.413 -5.344 8.796 1.00 0.00 C ATOM 692 CE2 PHE A 57 -5.413 -7.736 8.740 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.950 -6.552 9.282 1.00 0.00 C ATOM 0 H PHE A 57 -9.278 -8.294 6.865 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.247 -5.498 7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.780 -7.412 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.537 -5.684 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.697 -4.378 7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.701 -8.636 7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.052 -4.417 9.217 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.051 -8.681 9.117 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.227 -6.571 10.084 1.00 0.00 H new ATOM 703 N TRP A 58 -10.602 -6.529 4.573 1.00 0.00 N ATOM 704 CA TRP A 58 -11.452 -6.093 3.460 1.00 0.00 C ATOM 705 C TRP A 58 -12.607 -5.214 3.937 1.00 0.00 C ATOM 706 O TRP A 58 -12.975 -4.250 3.266 1.00 0.00 O ATOM 707 CB TRP A 58 -12.009 -7.283 2.677 1.00 0.00 C ATOM 708 CG TRP A 58 -11.474 -7.364 1.276 1.00 0.00 C ATOM 709 CD1 TRP A 58 -10.882 -8.442 0.684 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.474 -6.318 0.292 1.00 0.00 C ATOM 711 NE1 TRP A 58 -10.515 -8.131 -0.605 1.00 0.00 N ATOM 712 CE2 TRP A 58 -10.865 -6.833 -0.867 1.00 0.00 C ATOM 713 CE3 TRP A 58 -11.925 -4.997 0.281 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -10.699 -6.073 -2.025 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.762 -4.245 -0.867 1.00 0.00 C ATOM 716 CH2 TRP A 58 -11.150 -4.783 -2.004 1.00 0.00 C ATOM 0 H TRP A 58 -10.470 -7.539 4.634 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.815 -5.504 2.801 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -11.767 -8.205 3.206 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.096 -7.211 2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.725 -9.399 1.158 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.056 -8.765 -1.260 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -12.394 -4.570 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.231 -6.489 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -12.113 -3.224 -0.887 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.032 -4.167 -2.883 1.00 0.00 H new ATOM 727 N ASP A 59 -13.174 -5.538 5.096 1.00 0.00 N ATOM 728 CA ASP A 59 -14.241 -4.712 5.672 1.00 0.00 C ATOM 729 C ASP A 59 -13.729 -3.337 6.091 1.00 0.00 C ATOM 730 O ASP A 59 -14.505 -2.397 6.248 1.00 0.00 O ATOM 731 CB ASP A 59 -14.884 -5.389 6.870 1.00 0.00 C ATOM 732 CG ASP A 59 -15.834 -6.499 6.478 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.738 -6.248 5.651 1.00 0.00 O ATOM 734 OD2 ASP A 59 -15.697 -7.617 7.017 1.00 0.00 O ATOM 0 H ASP A 59 -12.920 -6.355 5.652 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.988 -4.586 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.104 -5.795 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.424 -4.645 7.455 1.00 0.00 H new ATOM 739 N THR A 60 -12.424 -3.228 6.278 1.00 0.00 N ATOM 740 CA THR A 60 -11.807 -1.964 6.639 1.00 0.00 C ATOM 741 C THR A 60 -11.301 -1.260 5.379 1.00 0.00 C ATOM 742 O THR A 60 -10.949 -0.079 5.395 1.00 0.00 O ATOM 743 CB THR A 60 -10.637 -2.191 7.621 1.00 0.00 C ATOM 744 OG1 THR A 60 -11.056 -3.061 8.683 1.00 0.00 O ATOM 745 CG2 THR A 60 -10.146 -0.877 8.213 1.00 0.00 C ATOM 0 H THR A 60 -11.769 -4.004 6.185 1.00 0.00 H new ATOM 0 HA THR A 60 -12.553 -1.338 7.129 1.00 0.00 H new ATOM 0 HB THR A 60 -9.817 -2.646 7.065 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.310 -3.204 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.322 -1.073 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.803 -0.223 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.961 -0.394 8.752 1.00 0.00 H new ATOM 753 N ALA A 61 -11.284 -1.998 4.279 1.00 0.00 N ATOM 754 CA ALA A 61 -10.809 -1.471 3.011 1.00 0.00 C ATOM 755 C ALA A 61 -11.935 -0.755 2.278 1.00 0.00 C ATOM 756 O ALA A 61 -13.110 -1.010 2.534 1.00 0.00 O ATOM 757 CB ALA A 61 -10.239 -2.581 2.151 1.00 0.00 C ATOM 0 H ALA A 61 -11.596 -2.968 4.241 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.015 -0.752 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.889 -2.166 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.405 -3.053 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.012 -3.324 1.956 1.00 0.00 H new ATOM 763 N PRO A 62 -11.587 0.151 1.345 1.00 0.00 N ATOM 764 CA PRO A 62 -12.549 1.053 0.712 1.00 0.00 C ATOM 765 C PRO A 62 -13.266 0.442 -0.491 1.00 0.00 C ATOM 766 O PRO A 62 -14.231 1.014 -1.002 1.00 0.00 O ATOM 767 CB PRO A 62 -11.639 2.191 0.285 1.00 0.00 C ATOM 768 CG PRO A 62 -10.413 1.495 -0.168 1.00 0.00 C ATOM 769 CD PRO A 62 -10.214 0.384 0.828 1.00 0.00 C ATOM 0 HA PRO A 62 -13.369 1.331 1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.084 2.784 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.433 2.873 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.530 1.104 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.557 2.170 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.802 -0.510 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.527 0.673 1.623 1.00 0.00 H new ATOM 822 N GLY A 66 -15.670 5.813 -3.289 1.00 0.00 N ATOM 823 CA GLY A 66 -14.872 6.997 -3.501 1.00 0.00 C ATOM 824 C GLY A 66 -15.410 7.844 -4.624 1.00 0.00 C ATOM 825 O GLY A 66 -16.430 7.506 -5.229 1.00 0.00 O ATOM 0 HA2 GLY A 66 -14.845 7.585 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.845 6.707 -3.725 1.00 0.00 H new ATOM 829 N ARG A 67 -14.747 8.962 -4.872 1.00 0.00 N ATOM 830 CA ARG A 67 -15.025 9.789 -6.032 1.00 0.00 C ATOM 831 C ARG A 67 -14.707 8.994 -7.295 1.00 0.00 C ATOM 832 O ARG A 67 -13.638 9.141 -7.872 1.00 0.00 O ATOM 833 CB ARG A 67 -14.175 11.062 -5.970 1.00 0.00 C ATOM 834 CG ARG A 67 -14.387 11.878 -4.701 1.00 0.00 C ATOM 835 CD ARG A 67 -15.377 13.014 -4.917 1.00 0.00 C ATOM 836 NE ARG A 67 -16.680 12.551 -5.397 1.00 0.00 N ATOM 837 CZ ARG A 67 -17.339 13.128 -6.403 1.00 0.00 C ATOM 838 NH1 ARG A 67 -16.801 14.164 -7.037 1.00 0.00 N ATOM 839 NH2 ARG A 67 -18.528 12.672 -6.774 1.00 0.00 N ATOM 0 H ARG A 67 -14.002 9.320 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.077 10.075 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.122 10.789 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.405 11.685 -6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.750 11.226 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.433 12.286 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.512 13.555 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.961 13.720 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.106 11.746 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.886 14.516 -6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.302 14.607 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.943 11.876 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.027 13.117 -7.544 1.00 0.00 H new ATOM 853 N LYS A 68 -15.636 8.137 -7.699 1.00 0.00 N ATOM 854 CA LYS A 68 -15.421 7.191 -8.787 1.00 0.00 C ATOM 855 C LYS A 68 -14.850 7.866 -10.031 1.00 0.00 C ATOM 856 O LYS A 68 -14.011 7.301 -10.728 1.00 0.00 O ATOM 857 CB LYS A 68 -16.734 6.495 -9.127 1.00 0.00 C ATOM 858 CG LYS A 68 -16.523 5.096 -9.648 1.00 0.00 C ATOM 859 CD LYS A 68 -15.944 4.201 -8.563 1.00 0.00 C ATOM 860 CE LYS A 68 -15.630 2.810 -9.082 1.00 0.00 C ATOM 861 NZ LYS A 68 -16.849 2.107 -9.557 1.00 0.00 N ATOM 0 H LYS A 68 -16.564 8.078 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.688 6.458 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.364 6.458 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.270 7.081 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.470 4.686 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.850 5.119 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.035 4.654 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.651 4.129 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.911 2.881 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.159 2.226 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.612 1.122 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.571 2.121 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.218 2.586 -10.403 1.00 0.00 H new ATOM 875 N GLU A 69 -15.322 9.074 -10.292 1.00 0.00 N ATOM 876 CA GLU A 69 -14.834 9.897 -11.393 1.00 0.00 C ATOM 877 C GLU A 69 -13.308 10.048 -11.371 1.00 0.00 C ATOM 878 O GLU A 69 -12.665 10.026 -12.421 1.00 0.00 O ATOM 879 CB GLU A 69 -15.493 11.268 -11.315 1.00 0.00 C ATOM 880 CG GLU A 69 -16.996 11.175 -11.149 1.00 0.00 C ATOM 881 CD GLU A 69 -17.676 12.523 -11.123 1.00 0.00 C ATOM 882 OE1 GLU A 69 -17.738 13.182 -12.177 1.00 0.00 O ATOM 883 OE2 GLU A 69 -18.159 12.920 -10.047 1.00 0.00 O ATOM 0 H GLU A 69 -16.060 9.517 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.094 9.402 -12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.071 11.824 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.264 11.831 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.409 10.582 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.221 10.644 -10.224 1.00 0.00 H new ATOM 890 N ILE A 70 -12.732 10.228 -10.184 1.00 0.00 N ATOM 891 CA ILE A 70 -11.282 10.335 -10.061 1.00 0.00 C ATOM 892 C ILE A 70 -10.639 8.954 -9.985 1.00 0.00 C ATOM 893 O ILE A 70 -9.461 8.796 -10.299 1.00 0.00 O ATOM 894 CB ILE A 70 -10.826 11.145 -8.824 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.355 11.532 -9.006 1.00 0.00 C ATOM 896 CG2 ILE A 70 -11.022 10.339 -7.536 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.616 11.778 -7.718 1.00 0.00 C ATOM 0 H ILE A 70 -13.241 10.302 -9.303 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.958 10.867 -10.955 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.434 12.046 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.848 10.739 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.301 12.431 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.694 10.932 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.077 10.089 -7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.435 9.422 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.583 12.046 -7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.095 12.592 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.635 10.874 -7.109 1.00 0.00 H new ATOM 909 N TRP A 71 -11.419 7.965 -9.553 1.00 0.00 N ATOM 910 CA TRP A 71 -10.895 6.628 -9.296 1.00 0.00 C ATOM 911 C TRP A 71 -10.143 6.092 -10.498 1.00 0.00 C ATOM 912 O TRP A 71 -9.107 5.442 -10.354 1.00 0.00 O ATOM 913 CB TRP A 71 -12.020 5.657 -8.941 1.00 0.00 C ATOM 914 CG TRP A 71 -11.900 5.085 -7.565 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.837 5.140 -6.578 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.780 4.372 -7.022 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.373 4.509 -5.449 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.113 4.030 -5.696 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.528 3.993 -7.526 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.242 3.325 -4.871 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.665 3.291 -6.702 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.027 2.964 -5.388 1.00 0.00 C ATOM 0 H TRP A 71 -12.418 8.066 -9.374 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.209 6.711 -8.453 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.976 6.173 -9.030 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.029 4.843 -9.665 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.804 5.611 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.883 4.413 -4.571 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.242 4.244 -8.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.515 3.071 -3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.698 2.991 -7.077 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.332 2.415 -4.770 1.00 0.00 H new ATOM 933 N ASP A 72 -10.666 6.382 -11.679 1.00 0.00 N ATOM 934 CA ASP A 72 -10.060 5.928 -12.919 1.00 0.00 C ATOM 935 C ASP A 72 -8.663 6.511 -13.097 1.00 0.00 C ATOM 936 O ASP A 72 -7.797 5.888 -13.710 1.00 0.00 O ATOM 937 CB ASP A 72 -10.936 6.313 -14.109 1.00 0.00 C ATOM 938 CG ASP A 72 -12.275 5.600 -14.112 1.00 0.00 C ATOM 939 OD1 ASP A 72 -12.328 4.428 -14.553 1.00 0.00 O ATOM 940 OD2 ASP A 72 -13.279 6.202 -13.678 1.00 0.00 O ATOM 0 H ASP A 72 -11.515 6.934 -11.804 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.975 4.842 -12.870 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.104 7.390 -14.097 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.406 6.083 -15.033 1.00 0.00 H new ATOM 945 N ALA A 73 -8.430 7.691 -12.534 1.00 0.00 N ATOM 946 CA ALA A 73 -7.133 8.333 -12.647 1.00 0.00 C ATOM 947 C ALA A 73 -6.174 7.720 -11.644 1.00 0.00 C ATOM 948 O ALA A 73 -4.963 7.678 -11.855 1.00 0.00 O ATOM 949 CB ALA A 73 -7.257 9.833 -12.421 1.00 0.00 C ATOM 0 H ALA A 73 -9.120 8.217 -11.998 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.744 8.175 -13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.275 10.297 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.928 10.259 -13.167 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.657 10.019 -11.424 1.00 0.00 H new ATOM 955 N LEU A 74 -6.739 7.219 -10.559 1.00 0.00 N ATOM 956 CA LEU A 74 -5.958 6.628 -9.488 1.00 0.00 C ATOM 957 C LEU A 74 -5.444 5.257 -9.897 1.00 0.00 C ATOM 958 O LEU A 74 -4.278 4.925 -9.679 1.00 0.00 O ATOM 959 CB LEU A 74 -6.803 6.537 -8.220 1.00 0.00 C ATOM 960 CG LEU A 74 -7.515 7.842 -7.841 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.217 7.719 -6.504 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.520 8.987 -7.826 1.00 0.00 C ATOM 0 H LEU A 74 -7.746 7.211 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.095 7.263 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.550 5.754 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.163 6.232 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.278 8.048 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.711 8.660 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.959 6.922 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.486 7.486 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.032 9.911 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.737 8.779 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.074 9.095 -8.815 1.00 0.00 H new ATOM 974 N LYS A 75 -6.318 4.477 -10.515 1.00 0.00 N ATOM 975 CA LYS A 75 -5.951 3.165 -11.032 1.00 0.00 C ATOM 976 C LYS A 75 -5.032 3.303 -12.249 1.00 0.00 C ATOM 977 O LYS A 75 -4.185 2.444 -12.498 1.00 0.00 O ATOM 978 CB LYS A 75 -7.215 2.372 -11.376 1.00 0.00 C ATOM 979 CG LYS A 75 -8.253 3.202 -12.105 1.00 0.00 C ATOM 980 CD LYS A 75 -9.599 2.501 -12.199 1.00 0.00 C ATOM 981 CE LYS A 75 -10.165 2.156 -10.839 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.397 1.331 -10.955 1.00 0.00 N ATOM 0 H LYS A 75 -7.293 4.731 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.401 2.620 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.944 1.515 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.652 1.978 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.378 4.155 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.893 3.427 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.303 3.141 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.491 1.589 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.417 1.615 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.390 3.073 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.759 1.112 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.119 1.858 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.176 0.445 -11.454 1.00 0.00 H new ATOM 996 N ALA A 76 -5.193 4.392 -12.994 1.00 0.00 N ATOM 997 CA ALA A 76 -4.314 4.672 -14.123 1.00 0.00 C ATOM 998 C ALA A 76 -2.922 5.065 -13.640 1.00 0.00 C ATOM 999 O ALA A 76 -1.917 4.686 -14.242 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.895 5.764 -14.999 1.00 0.00 C ATOM 0 H ALA A 76 -5.919 5.091 -12.838 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.229 3.762 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.222 5.956 -15.835 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.866 5.447 -15.380 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.015 6.675 -14.413 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.863 5.826 -12.550 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.584 6.174 -11.948 1.00 0.00 C ATOM 1008 C ALA A 77 -0.916 4.932 -11.408 1.00 0.00 C ATOM 1009 O ALA A 77 0.283 4.742 -11.582 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.749 7.199 -10.843 1.00 0.00 C ATOM 0 H ALA A 77 -3.678 6.209 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.957 6.617 -12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.774 7.435 -10.417 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.195 8.106 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.397 6.794 -10.065 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.701 4.103 -10.734 1.00 0.00 N ATOM 1017 CA ALA A 78 -1.251 2.780 -10.331 1.00 0.00 C ATOM 1018 C ALA A 78 -0.608 2.050 -11.503 1.00 0.00 C ATOM 1019 O ALA A 78 0.432 1.425 -11.351 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.417 1.971 -9.780 1.00 0.00 C ATOM 0 H ALA A 78 -2.656 4.326 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.503 2.896 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.066 0.983 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.838 2.483 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.183 1.867 -10.548 1.00 0.00 H new ATOM 1026 N HIS A 79 -1.211 2.180 -12.682 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.706 1.511 -13.878 1.00 0.00 C ATOM 1028 C HIS A 79 0.695 2.011 -14.213 1.00 0.00 C ATOM 1029 O HIS A 79 1.604 1.219 -14.463 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.641 1.752 -15.071 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.207 1.063 -16.333 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -1.742 -0.131 -16.769 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.285 1.417 -17.261 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.170 -0.480 -17.905 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.281 0.442 -18.229 1.00 0.00 N ATOM 0 H HIS A 79 -2.049 2.742 -12.835 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.665 0.441 -13.676 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.643 1.412 -14.809 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.707 2.824 -15.258 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.333 2.303 -17.243 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.391 -1.370 -18.475 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.310 0.432 -19.060 1.00 0.00 H new ATOM 1044 N ALA A 80 0.854 3.329 -14.233 1.00 0.00 N ATOM 1045 CA ALA A 80 2.147 3.935 -14.499 1.00 0.00 C ATOM 1046 C ALA A 80 3.150 3.549 -13.425 1.00 0.00 C ATOM 1047 O ALA A 80 4.227 3.049 -13.731 1.00 0.00 O ATOM 1048 CB ALA A 80 2.026 5.443 -14.591 1.00 0.00 C ATOM 0 H ALA A 80 0.101 3.997 -14.068 1.00 0.00 H new ATOM 0 HA ALA A 80 2.505 3.561 -15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.007 5.875 -14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.343 5.705 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.642 5.835 -13.650 1.00 0.00 H new ATOM 1054 N PHE A 81 2.783 3.774 -12.172 1.00 0.00 N ATOM 1055 CA PHE A 81 3.647 3.444 -11.042 1.00 0.00 C ATOM 1056 C PHE A 81 4.066 1.963 -11.065 1.00 0.00 C ATOM 1057 O PHE A 81 5.219 1.638 -10.777 1.00 0.00 O ATOM 1058 CB PHE A 81 2.963 3.831 -9.717 1.00 0.00 C ATOM 1059 CG PHE A 81 3.594 3.213 -8.497 1.00 0.00 C ATOM 1060 CD1 PHE A 81 4.912 3.481 -8.173 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.867 2.366 -7.677 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.495 2.911 -7.060 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.444 1.794 -6.560 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.761 2.067 -6.252 1.00 0.00 C ATOM 0 H PHE A 81 1.888 4.186 -11.909 1.00 0.00 H new ATOM 0 HA PHE A 81 4.564 4.027 -11.128 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.983 4.916 -9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.915 3.534 -9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.491 4.144 -8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.836 2.150 -7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.526 3.125 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.866 1.135 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.216 1.621 -5.380 1.00 0.00 H new ATOM 1074 N GLU A 82 3.141 1.070 -11.433 1.00 0.00 N ATOM 1075 CA GLU A 82 3.463 -0.348 -11.613 1.00 0.00 C ATOM 1076 C GLU A 82 4.510 -0.527 -12.711 1.00 0.00 C ATOM 1077 O GLU A 82 5.349 -1.427 -12.655 1.00 0.00 O ATOM 1078 CB GLU A 82 2.222 -1.148 -12.005 1.00 0.00 C ATOM 1079 CG GLU A 82 1.223 -1.376 -10.882 1.00 0.00 C ATOM 1080 CD GLU A 82 0.073 -2.264 -11.319 1.00 0.00 C ATOM 1081 OE1 GLU A 82 -0.828 -1.774 -12.037 1.00 0.00 O ATOM 1082 OE2 GLU A 82 0.070 -3.462 -10.963 1.00 0.00 O ATOM 0 H GLU A 82 2.165 1.305 -11.612 1.00 0.00 H new ATOM 0 HA GLU A 82 3.850 -0.713 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.717 -0.630 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.540 -2.117 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.730 -1.832 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.832 -0.416 -10.543 1.00 0.00 H new ATOM 1089 N SER A 83 4.441 0.335 -13.709 1.00 0.00 N ATOM 1090 CA SER A 83 5.334 0.277 -14.856 1.00 0.00 C ATOM 1091 C SER A 83 6.614 1.068 -14.569 1.00 0.00 C ATOM 1092 O SER A 83 7.325 1.471 -15.489 1.00 0.00 O ATOM 1093 CB SER A 83 4.610 0.838 -16.083 1.00 0.00 C ATOM 1094 OG SER A 83 5.269 0.511 -17.294 1.00 0.00 O ATOM 0 H SER A 83 3.764 1.097 -13.749 1.00 0.00 H new ATOM 0 HA SER A 83 5.616 -0.758 -15.052 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.592 0.450 -16.110 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.536 1.922 -15.994 1.00 0.00 H new ATOM 0 HG SER A 83 6.222 0.723 -17.215 1.00 0.00 H new ATOM 1100 N ASN A 84 6.881 1.288 -13.275 1.00 0.00 N ATOM 1101 CA ASN A 84 8.075 2.000 -12.797 1.00 0.00 C ATOM 1102 C ASN A 84 7.976 3.497 -13.056 1.00 0.00 C ATOM 1103 O ASN A 84 8.920 4.248 -12.795 1.00 0.00 O ATOM 1104 CB ASN A 84 9.357 1.456 -13.432 1.00 0.00 C ATOM 1105 CG ASN A 84 9.734 0.075 -12.931 1.00 0.00 C ATOM 1106 OD1 ASN A 84 8.873 -0.759 -12.651 1.00 0.00 O ATOM 1107 ND2 ASN A 84 11.028 -0.173 -12.813 1.00 0.00 N ATOM 0 H ASN A 84 6.268 0.974 -12.522 1.00 0.00 H new ATOM 0 HA ASN A 84 8.122 1.830 -11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.232 1.421 -14.514 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.176 2.145 -13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.344 -1.083 -12.479 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.709 0.546 -13.056 1.00 0.00 H new ATOM 1114 N ASP A 85 6.834 3.928 -13.559 1.00 0.00 N ATOM 1115 CA ASP A 85 6.622 5.332 -13.860 1.00 0.00 C ATOM 1116 C ASP A 85 6.222 6.100 -12.614 1.00 0.00 C ATOM 1117 O ASP A 85 5.040 6.343 -12.350 1.00 0.00 O ATOM 1118 CB ASP A 85 5.579 5.497 -14.961 1.00 0.00 C ATOM 1119 CG ASP A 85 6.125 5.102 -16.313 1.00 0.00 C ATOM 1120 OD1 ASP A 85 7.234 5.558 -16.663 1.00 0.00 O ATOM 1121 OD2 ASP A 85 5.465 4.322 -17.022 1.00 0.00 O ATOM 0 H ASP A 85 6.038 3.325 -13.768 1.00 0.00 H new ATOM 0 HA ASP A 85 7.563 5.747 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.706 4.887 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.244 6.534 -14.993 1.00 0.00 H new ATOM 1126 N HIS A 86 7.234 6.497 -11.866 1.00 0.00 N ATOM 1127 CA HIS A 86 7.063 7.283 -10.658 1.00 0.00 C ATOM 1128 C HIS A 86 6.583 8.689 -11.010 1.00 0.00 C ATOM 1129 O HIS A 86 5.676 9.232 -10.368 1.00 0.00 O ATOM 1130 CB HIS A 86 8.401 7.321 -9.901 1.00 0.00 C ATOM 1131 CG HIS A 86 8.537 8.416 -8.886 1.00 0.00 C ATOM 1132 ND1 HIS A 86 9.439 9.448 -9.030 1.00 0.00 N ATOM 1133 CD2 HIS A 86 7.903 8.636 -7.707 1.00 0.00 C ATOM 1134 CE1 HIS A 86 9.354 10.255 -7.993 1.00 0.00 C ATOM 1135 NE2 HIS A 86 8.430 9.788 -7.178 1.00 0.00 N ATOM 0 H HIS A 86 8.207 6.281 -12.082 1.00 0.00 H new ATOM 0 HA HIS A 86 6.307 6.829 -10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.542 6.364 -9.399 1.00 0.00 H new ATOM 0 HB3 HIS A 86 9.207 7.421 -10.628 1.00 0.00 H new ATOM 0 HD1 HIS A 86 10.075 9.568 -9.819 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.131 8.022 -7.268 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.942 11.148 -7.837 1.00 0.00 H new ATOM 1144 N GLU A 87 7.180 9.247 -12.055 1.00 0.00 N ATOM 1145 CA GLU A 87 6.881 10.606 -12.488 1.00 0.00 C ATOM 1146 C GLU A 87 5.485 10.695 -13.097 1.00 0.00 C ATOM 1147 O GLU A 87 4.796 11.701 -12.940 1.00 0.00 O ATOM 1148 CB GLU A 87 7.940 11.078 -13.487 1.00 0.00 C ATOM 1149 CG GLU A 87 8.042 10.209 -14.727 1.00 0.00 C ATOM 1150 CD GLU A 87 9.342 10.409 -15.473 1.00 0.00 C ATOM 1151 OE1 GLU A 87 10.329 9.727 -15.133 1.00 0.00 O ATOM 1152 OE2 GLU A 87 9.387 11.240 -16.403 1.00 0.00 O ATOM 0 H GLU A 87 7.882 8.773 -12.624 1.00 0.00 H new ATOM 0 HA GLU A 87 6.902 11.260 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.712 12.100 -13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.910 11.102 -12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.950 9.161 -14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.208 10.432 -15.392 1.00 0.00 H new ATOM 1159 N LEU A 88 5.062 9.629 -13.767 1.00 0.00 N ATOM 1160 CA LEU A 88 3.743 9.593 -14.385 1.00 0.00 C ATOM 1161 C LEU A 88 2.648 9.642 -13.333 1.00 0.00 C ATOM 1162 O LEU A 88 1.799 10.530 -13.355 1.00 0.00 O ATOM 1163 CB LEU A 88 3.572 8.337 -15.239 1.00 0.00 C ATOM 1164 CG LEU A 88 3.903 8.500 -16.723 1.00 0.00 C ATOM 1165 CD1 LEU A 88 5.402 8.672 -16.930 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.367 7.314 -17.511 1.00 0.00 C ATOM 0 H LEU A 88 5.613 8.780 -13.896 1.00 0.00 H new ATOM 0 HA LEU A 88 3.660 10.471 -15.025 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.205 7.550 -14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.541 7.996 -15.150 1.00 0.00 H new ATOM 0 HG LEU A 88 3.418 9.403 -17.093 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.612 8.786 -17.994 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.744 9.558 -16.396 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.925 7.795 -16.549 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.608 7.440 -18.567 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.823 6.396 -17.142 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.285 7.256 -17.390 1.00 0.00 H new ATOM 1178 N ALA A 89 2.687 8.697 -12.402 1.00 0.00 N ATOM 1179 CA ALA A 89 1.650 8.587 -11.386 1.00 0.00 C ATOM 1180 C ALA A 89 1.552 9.856 -10.548 1.00 0.00 C ATOM 1181 O ALA A 89 0.452 10.319 -10.255 1.00 0.00 O ATOM 1182 CB ALA A 89 1.895 7.367 -10.504 1.00 0.00 C ATOM 0 H ALA A 89 3.425 7.997 -12.330 1.00 0.00 H new ATOM 0 HA ALA A 89 0.694 8.459 -11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.111 7.300 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.886 6.466 -11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.863 7.462 -10.013 1.00 0.00 H new ATOM 1188 N GLN A 90 2.692 10.439 -10.188 1.00 0.00 N ATOM 1189 CA GLN A 90 2.678 11.651 -9.374 1.00 0.00 C ATOM 1190 C GLN A 90 2.139 12.840 -10.170 1.00 0.00 C ATOM 1191 O GLN A 90 1.535 13.749 -9.604 1.00 0.00 O ATOM 1192 CB GLN A 90 4.070 11.980 -8.833 1.00 0.00 C ATOM 1193 CG GLN A 90 5.063 12.394 -9.898 1.00 0.00 C ATOM 1194 CD GLN A 90 6.382 12.839 -9.313 1.00 0.00 C ATOM 1195 OE1 GLN A 90 7.289 12.036 -9.118 1.00 0.00 O ATOM 1196 NE2 GLN A 90 6.484 14.122 -9.021 1.00 0.00 N ATOM 0 H GLN A 90 3.620 10.100 -10.441 1.00 0.00 H new ATOM 0 HA GLN A 90 2.016 11.461 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.983 12.782 -8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.459 11.108 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.233 11.558 -10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.639 13.205 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.701 14.750 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.346 14.485 -8.614 1.00 0.00 H new ATOM 1205 N ALA A 91 2.359 12.825 -11.482 1.00 0.00 N ATOM 1206 CA ALA A 91 1.869 13.889 -12.346 1.00 0.00 C ATOM 1207 C ALA A 91 0.381 13.723 -12.615 1.00 0.00 C ATOM 1208 O ALA A 91 -0.306 14.676 -12.976 1.00 0.00 O ATOM 1209 CB ALA A 91 2.646 13.913 -13.654 1.00 0.00 C ATOM 0 H ALA A 91 2.872 12.089 -11.967 1.00 0.00 H new ATOM 0 HA ALA A 91 2.020 14.840 -11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.267 14.714 -14.288 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.702 14.084 -13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.526 12.958 -14.166 1.00 0.00 H new ATOM 1215 N ILE A 92 -0.110 12.502 -12.450 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.529 12.226 -12.593 1.00 0.00 C ATOM 1217 C ILE A 92 -2.290 12.672 -11.346 1.00 0.00 C ATOM 1218 O ILE A 92 -3.221 13.471 -11.434 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.778 10.726 -12.853 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.249 10.334 -14.238 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.250 10.385 -12.726 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.474 8.879 -14.592 1.00 0.00 C ATOM 0 H ILE A 92 0.457 11.687 -12.217 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.894 12.790 -13.451 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.239 10.155 -12.097 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.730 10.959 -14.990 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.181 10.547 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.395 9.321 -12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.594 10.625 -11.720 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.821 10.963 -13.452 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.073 8.680 -15.586 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.969 8.245 -13.863 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.542 8.663 -14.582 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.885 12.141 -10.192 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.464 12.528 -8.907 1.00 0.00 C ATOM 1236 C ILE A 93 -2.481 14.047 -8.746 1.00 0.00 C ATOM 1237 O ILE A 93 -3.546 14.659 -8.640 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.668 11.907 -7.729 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.463 10.406 -7.938 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.367 12.159 -6.406 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.690 9.687 -8.431 1.00 0.00 C ATOM 0 H ILE A 93 -1.152 11.436 -10.122 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.487 12.153 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.691 12.390 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.654 10.256 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.145 9.958 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.788 11.713 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.455 13.233 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.361 11.713 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.466 8.628 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.496 9.805 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.998 10.107 -9.389 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.297 14.646 -8.776 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.151 16.085 -8.568 1.00 0.00 C ATOM 1255 C ASP A 94 -1.779 16.871 -9.712 1.00 0.00 C ATOM 1256 O ASP A 94 -2.209 18.013 -9.537 1.00 0.00 O ATOM 1257 CB ASP A 94 0.333 16.435 -8.416 1.00 0.00 C ATOM 1258 CG ASP A 94 0.596 17.927 -8.406 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.341 18.580 -7.374 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.074 18.452 -9.432 1.00 0.00 O ATOM 0 H ASP A 94 -0.418 14.156 -8.943 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.676 16.362 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.709 16.000 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.893 15.979 -9.233 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.869 16.238 -10.875 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.476 16.878 -12.022 1.00 0.00 C ATOM 1267 C GLY A 95 -3.973 17.030 -11.856 1.00 0.00 C ATOM 1268 O GLY A 95 -4.609 17.820 -12.551 1.00 0.00 O ATOM 0 H GLY A 95 -1.531 15.290 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.026 17.859 -12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.267 16.292 -12.917 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.541 16.284 -10.912 1.00 0.00 N ATOM 1273 CA ALA A 96 -5.968 16.351 -10.660 1.00 0.00 C ATOM 1274 C ALA A 96 -6.269 17.268 -9.482 1.00 0.00 C ATOM 1275 O ALA A 96 -7.419 17.367 -9.055 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.527 14.960 -10.403 1.00 0.00 C ATOM 0 H ALA A 96 -4.034 15.631 -10.315 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.450 16.764 -11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.599 15.027 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.350 14.330 -11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.034 14.524 -9.534 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.221 17.930 -8.969 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.314 18.808 -7.790 1.00 0.00 C ATOM 1284 C ASN A 97 -5.354 17.961 -6.516 1.00 0.00 C ATOM 1285 O ASN A 97 -5.416 18.475 -5.398 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.541 19.738 -7.871 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.547 20.825 -6.809 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -5.498 21.329 -6.401 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -7.733 21.200 -6.356 1.00 0.00 N ATOM 0 H ASN A 97 -4.281 17.872 -9.361 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.430 19.445 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.570 20.203 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.447 19.140 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.800 21.929 -5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.579 20.760 -6.717 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.286 16.653 -6.707 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.260 15.703 -5.609 1.00 0.00 C ATOM 1298 C ILE A 98 -3.813 15.447 -5.193 1.00 0.00 C ATOM 1299 O ILE A 98 -2.918 15.452 -6.033 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.962 14.377 -6.019 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.471 14.469 -5.788 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.382 13.173 -5.296 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.197 15.313 -6.809 1.00 0.00 C ATOM 0 H ILE A 98 -5.247 16.221 -7.630 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.803 16.119 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.778 14.233 -7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.892 13.464 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.652 14.881 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.904 12.271 -5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.322 13.082 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.503 13.301 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.262 15.329 -6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.805 16.330 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.049 14.890 -7.803 1.00 0.00 H new ATOM 1315 N THR A 99 -3.568 15.243 -3.906 1.00 0.00 N ATOM 1316 CA THR A 99 -2.203 15.038 -3.438 1.00 0.00 C ATOM 1317 C THR A 99 -2.140 13.970 -2.357 1.00 0.00 C ATOM 1318 O THR A 99 -3.172 13.494 -1.877 1.00 0.00 O ATOM 1319 CB THR A 99 -1.568 16.340 -2.909 1.00 0.00 C ATOM 1320 OG1 THR A 99 -2.454 16.983 -1.985 1.00 0.00 O ATOM 1321 CG2 THR A 99 -1.229 17.298 -4.043 1.00 0.00 C ATOM 0 H THR A 99 -4.282 15.215 -3.178 1.00 0.00 H new ATOM 0 HA THR A 99 -1.632 14.704 -4.304 1.00 0.00 H new ATOM 0 HB THR A 99 -0.642 16.072 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.040 17.807 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.783 18.204 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.522 16.822 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.138 17.555 -4.587 1.00 0.00 H new ATOM 1329 N LEU A 100 -0.925 13.578 -1.994 1.00 0.00 N ATOM 1330 CA LEU A 100 -0.731 12.552 -0.989 1.00 0.00 C ATOM 1331 C LEU A 100 0.565 12.810 -0.216 1.00 0.00 C ATOM 1332 O LEU A 100 1.656 12.541 -0.714 1.00 0.00 O ATOM 1333 CB LEU A 100 -0.733 11.173 -1.663 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.063 9.999 -0.749 1.00 0.00 C ATOM 1335 CD1 LEU A 100 0.124 9.602 0.101 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.250 10.365 0.111 1.00 0.00 C ATOM 0 H LEU A 100 -0.062 13.958 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.548 12.577 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.453 11.188 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.248 11.002 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.312 9.133 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.150 8.762 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.953 9.312 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.426 10.446 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.494 9.531 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.008 11.242 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.106 10.587 -0.526 1.00 0.00 H new ATOM 1348 N PRO A 101 0.444 13.333 1.020 1.00 0.00 N ATOM 1349 CA PRO A 101 1.593 13.742 1.855 1.00 0.00 C ATOM 1350 C PRO A 101 2.560 12.601 2.191 1.00 0.00 C ATOM 1351 O PRO A 101 3.738 12.836 2.463 1.00 0.00 O ATOM 1352 CB PRO A 101 0.940 14.276 3.136 1.00 0.00 C ATOM 1353 CG PRO A 101 -0.432 13.701 3.140 1.00 0.00 C ATOM 1354 CD PRO A 101 -0.833 13.589 1.700 1.00 0.00 C ATOM 0 HA PRO A 101 2.211 14.468 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.498 13.970 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.911 15.366 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.446 12.726 3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.122 14.341 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.544 12.779 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.306 14.503 1.340 1.00 0.00 H new ATOM 1362 N HIS A 102 2.066 11.369 2.180 1.00 0.00 N ATOM 1363 CA HIS A 102 2.918 10.207 2.441 1.00 0.00 C ATOM 1364 C HIS A 102 3.775 9.890 1.218 1.00 0.00 C ATOM 1365 O HIS A 102 4.720 9.106 1.295 1.00 0.00 O ATOM 1366 CB HIS A 102 2.092 8.970 2.821 1.00 0.00 C ATOM 1367 CG HIS A 102 1.305 9.109 4.089 1.00 0.00 C ATOM 1368 ND1 HIS A 102 1.804 8.771 5.327 1.00 0.00 N ATOM 1369 CD2 HIS A 102 0.041 9.541 4.299 1.00 0.00 C ATOM 1370 CE1 HIS A 102 0.878 8.987 6.245 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -0.199 9.457 5.645 1.00 0.00 N ATOM 0 H HIS A 102 1.088 11.146 1.995 1.00 0.00 H new ATOM 0 HA HIS A 102 3.561 10.460 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.405 8.744 2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.764 8.117 2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.651 9.888 3.546 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.985 8.809 7.305 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -1.070 9.716 6.109 1.00 0.00 H new ATOM 1380 N GLY A 103 3.428 10.502 0.088 1.00 0.00 N ATOM 1381 CA GLY A 103 4.166 10.290 -1.143 1.00 0.00 C ATOM 1382 C GLY A 103 3.832 8.976 -1.801 1.00 0.00 C ATOM 1383 O GLY A 103 4.466 8.572 -2.776 1.00 0.00 O ATOM 0 H GLY A 103 2.642 11.146 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.951 11.104 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.235 10.325 -0.932 1.00 0.00 H new ATOM 1387 N ALA A 104 2.816 8.321 -1.288 1.00 0.00 N ATOM 1388 CA ALA A 104 2.463 7.004 -1.751 1.00 0.00 C ATOM 1389 C ALA A 104 1.396 7.057 -2.817 1.00 0.00 C ATOM 1390 O ALA A 104 0.483 7.878 -2.775 1.00 0.00 O ATOM 1391 CB ALA A 104 1.999 6.147 -0.591 1.00 0.00 C ATOM 0 H ALA A 104 2.218 8.684 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 104 3.354 6.558 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.735 5.154 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.800 6.063 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.127 6.606 -0.125 1.00 0.00 H new ATOM 1397 N LEU A 105 1.543 6.162 -3.775 1.00 0.00 N ATOM 1398 CA LEU A 105 0.552 5.966 -4.822 1.00 0.00 C ATOM 1399 C LEU A 105 -0.584 5.140 -4.238 1.00 0.00 C ATOM 1400 O LEU A 105 -1.682 5.069 -4.779 1.00 0.00 O ATOM 1401 CB LEU A 105 1.210 5.249 -6.014 1.00 0.00 C ATOM 1402 CG LEU A 105 0.417 5.232 -7.329 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.563 4.077 -7.368 1.00 0.00 C ATOM 1404 CD2 LEU A 105 -0.315 6.545 -7.515 1.00 0.00 C ATOM 0 H LEU A 105 2.354 5.548 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 105 0.158 6.917 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.175 5.719 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.410 4.218 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 105 1.126 5.098 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.108 4.094 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.020 3.136 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.267 4.169 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.874 6.521 -8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.004 6.698 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.406 7.362 -7.544 1.00 0.00 H new ATOM 1416 N THR A 106 -0.297 4.557 -3.085 1.00 0.00 N ATOM 1417 CA THR A 106 -1.205 3.647 -2.419 1.00 0.00 C ATOM 1418 C THR A 106 -2.223 4.404 -1.579 1.00 0.00 C ATOM 1419 O THR A 106 -2.989 3.808 -0.823 1.00 0.00 O ATOM 1420 CB THR A 106 -0.422 2.689 -1.516 1.00 0.00 C ATOM 1421 OG1 THR A 106 0.075 3.396 -0.371 1.00 0.00 O ATOM 1422 CG2 THR A 106 0.757 2.097 -2.265 1.00 0.00 C ATOM 0 H THR A 106 0.579 4.705 -2.585 1.00 0.00 H new ATOM 0 HA THR A 106 -1.734 3.083 -3.187 1.00 0.00 H new ATOM 0 HB THR A 106 -1.094 1.890 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.256 2.760 0.353 1.00 0.00 H new ATOM 0 HG21 THR A 106 1.302 1.419 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.397 1.548 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.421 2.898 -2.591 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.209 5.716 -1.701 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.179 6.559 -1.038 1.00 0.00 C ATOM 1432 C GLU A 107 -3.497 7.742 -1.928 1.00 0.00 C ATOM 1433 O GLU A 107 -2.734 8.064 -2.842 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.658 7.078 0.297 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.411 6.020 1.351 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.113 6.654 2.696 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -3.076 7.005 3.416 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -0.924 6.836 3.024 1.00 0.00 O ATOM 0 H GLU A 107 -1.526 6.225 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.070 5.961 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.726 7.616 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.373 7.800 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.285 5.374 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.575 5.389 1.049 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.615 8.386 -1.664 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.984 9.578 -2.401 1.00 0.00 C ATOM 1447 C CYS A 108 -5.918 10.448 -1.584 1.00 0.00 C ATOM 1448 O CYS A 108 -6.880 9.951 -0.995 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.642 9.189 -3.723 1.00 0.00 C ATOM 1450 SG CYS A 108 -6.869 7.874 -3.554 1.00 0.00 S ATOM 0 H CYS A 108 -5.283 8.105 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.081 10.152 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.120 10.068 -4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -4.871 8.869 -4.424 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.418 6.786 -4.104 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.633 11.744 -1.535 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.503 12.662 -0.830 1.00 0.00 C ATOM 1458 C TYR A 109 -7.050 13.689 -1.800 1.00 0.00 C ATOM 1459 O TYR A 109 -6.301 14.423 -2.457 1.00 0.00 O ATOM 1460 CB TYR A 109 -5.767 13.337 0.338 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.226 12.351 1.357 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -5.816 11.106 1.523 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -4.122 12.657 2.139 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.326 10.192 2.424 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -3.624 11.745 3.055 1.00 0.00 C ATOM 1466 CZ TYR A 109 -4.228 10.512 3.192 1.00 0.00 C ATOM 1467 OH TYR A 109 -3.727 9.599 4.096 1.00 0.00 O ATOM 0 H TYR A 109 -4.817 12.173 -1.970 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.336 12.102 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.942 13.931 -0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.447 14.028 0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.681 10.849 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -3.644 13.620 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.799 9.227 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.766 11.998 3.660 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.583 8.740 3.647 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.369 13.716 -1.877 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.088 14.541 -2.831 1.00 0.00 C ATOM 1479 C ASP A 110 -9.331 15.938 -2.264 1.00 0.00 C ATOM 1480 O ASP A 110 -9.437 16.118 -1.047 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.409 13.857 -3.198 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.495 14.838 -3.571 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.519 15.298 -4.730 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.313 15.168 -2.691 1.00 0.00 O ATOM 0 H ASP A 110 -8.976 13.161 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.487 14.655 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.240 13.175 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.746 13.253 -2.356 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.434 16.906 -3.180 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.450 18.332 -2.856 1.00 0.00 C ATOM 1491 C GLU A 111 -10.598 18.710 -1.925 1.00 0.00 C ATOM 1492 O GLU A 111 -10.516 19.707 -1.206 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.554 19.147 -4.147 1.00 0.00 C ATOM 1494 CG GLU A 111 -10.937 19.117 -4.787 1.00 0.00 C ATOM 1495 CD GLU A 111 -10.950 19.733 -6.171 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -10.755 20.964 -6.277 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -11.144 18.992 -7.157 1.00 0.00 O ATOM 0 H GLU A 111 -9.509 16.717 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.520 18.556 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.285 20.182 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.825 18.769 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.283 18.085 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.641 19.651 -4.149 1.00 0.00 H new ATOM 1504 N LEU A 112 -11.665 17.925 -1.952 1.00 0.00 N ATOM 1505 CA LEU A 112 -12.836 18.191 -1.130 1.00 0.00 C ATOM 1506 C LEU A 112 -12.599 17.731 0.304 1.00 0.00 C ATOM 1507 O LEU A 112 -13.365 18.060 1.211 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.051 17.478 -1.715 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.258 17.692 -3.215 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.354 16.776 -3.732 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -14.590 19.146 -3.506 1.00 0.00 C ATOM 0 H LEU A 112 -11.744 17.094 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.021 19.265 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -13.954 16.409 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.943 17.817 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.331 17.445 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.490 16.939 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.073 15.738 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.286 16.993 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -14.734 19.279 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.504 19.423 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.771 19.781 -3.168 1.00 0.00 H new ATOM 1523 N GLY A 113 -11.526 16.982 0.503 1.00 0.00 N ATOM 1524 CA GLY A 113 -11.208 16.466 1.819 1.00 0.00 C ATOM 1525 C GLY A 113 -11.454 14.975 1.920 1.00 0.00 C ATOM 1526 O GLY A 113 -11.795 14.464 2.986 1.00 0.00 O ATOM 0 H GLY A 113 -10.865 16.720 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.164 16.677 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.809 16.984 2.566 1.00 0.00 H new ATOM 1530 N ASN A 114 -11.279 14.275 0.809 1.00 0.00 N ATOM 1531 CA ASN A 114 -11.499 12.832 0.786 1.00 0.00 C ATOM 1532 C ASN A 114 -10.194 12.074 0.977 1.00 0.00 C ATOM 1533 O ASN A 114 -9.142 12.510 0.515 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.155 12.387 -0.525 1.00 0.00 C ATOM 1535 CG ASN A 114 -13.645 12.666 -0.563 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.443 11.867 -0.070 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.036 13.769 -1.181 1.00 0.00 N ATOM 0 H ASN A 114 -10.988 14.676 -0.083 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.171 12.601 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.673 12.898 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.987 11.319 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.030 13.983 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.343 14.405 -1.576 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.274 10.941 1.661 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.129 10.059 1.837 1.00 0.00 C ATOM 1546 C ARG A 115 -9.473 8.668 1.331 1.00 0.00 C ATOM 1547 O ARG A 115 -10.504 8.105 1.694 1.00 0.00 O ATOM 1548 CB ARG A 115 -8.715 9.970 3.312 1.00 0.00 C ATOM 1549 CG ARG A 115 -9.830 9.481 4.220 1.00 0.00 C ATOM 1550 CD ARG A 115 -9.307 8.898 5.521 1.00 0.00 C ATOM 1551 NE ARG A 115 -10.394 8.377 6.353 1.00 0.00 N ATOM 1552 CZ ARG A 115 -10.280 8.096 7.655 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -9.136 8.314 8.291 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -11.317 7.609 8.324 1.00 0.00 N ATOM 0 H ARG A 115 -11.129 10.609 2.107 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.296 10.471 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.861 9.299 3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.385 10.953 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.503 10.309 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.416 8.725 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.599 8.098 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.762 9.665 6.071 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.299 8.218 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.337 8.698 7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.056 8.097 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.203 7.448 7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.228 7.395 9.317 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.630 8.126 0.475 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.821 6.773 -0.006 1.00 0.00 C ATOM 1570 C TYR A 116 -7.547 5.974 0.181 1.00 0.00 C ATOM 1571 O TYR A 116 -6.443 6.520 0.097 1.00 0.00 O ATOM 1572 CB TYR A 116 -9.266 6.768 -1.470 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.535 7.550 -1.701 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -11.690 7.255 -0.987 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.574 8.598 -2.607 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.847 7.980 -1.175 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -11.725 9.330 -2.796 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.856 9.018 -2.078 1.00 0.00 C ATOM 1579 OH TYR A 116 -14.003 9.756 -2.262 1.00 0.00 O ATOM 0 H TYR A 116 -7.809 8.600 0.099 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.614 6.304 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.471 7.185 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -9.415 5.739 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.681 6.445 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.688 8.844 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -13.739 7.735 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.740 10.145 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.262 10.175 -1.415 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.708 4.684 0.423 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.591 3.819 0.755 1.00 0.00 C ATOM 1591 C GLN A 117 -6.502 2.696 -0.263 1.00 0.00 C ATOM 1592 O GLN A 117 -7.443 1.924 -0.430 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.779 3.233 2.160 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.242 4.247 3.204 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.273 5.396 3.400 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -6.678 6.511 3.724 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -4.990 5.135 3.216 1.00 0.00 N ATOM 0 H GLN A 117 -8.611 4.210 0.395 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.669 4.400 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.506 2.423 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.836 2.795 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.212 4.646 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.386 3.737 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.694 4.197 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.296 5.872 3.343 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.375 2.609 -0.937 1.00 0.00 N ATOM 1607 CA LEU A 118 -5.228 1.693 -2.050 1.00 0.00 C ATOM 1608 C LEU A 118 -4.566 0.385 -1.618 1.00 0.00 C ATOM 1609 O LEU A 118 -3.427 0.378 -1.146 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.449 2.385 -3.184 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.146 1.542 -4.430 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.379 0.791 -4.880 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.639 2.433 -5.555 1.00 0.00 C ATOM 0 H LEU A 118 -4.544 3.164 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.217 1.426 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.013 3.263 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.503 2.742 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.373 0.817 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.142 0.200 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.714 0.130 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.170 1.501 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.427 1.824 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.398 3.175 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.728 2.939 -5.236 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.305 -0.739 -1.746 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.813 -2.084 -1.414 1.00 0.00 C ATOM 1627 C PRO A 119 -3.623 -2.535 -2.270 1.00 0.00 C ATOM 1628 O PRO A 119 -3.444 -2.097 -3.408 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.021 -2.990 -1.691 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.202 -2.087 -1.670 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.709 -0.774 -2.197 1.00 0.00 C ATOM 0 HA PRO A 119 -4.445 -2.117 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.925 -3.490 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.109 -3.770 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.008 -2.481 -2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.598 -1.981 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.785 -0.721 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.282 0.062 -1.796 1.00 0.00 H new ATOM 1639 N VAL A 120 -2.834 -3.453 -1.706 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.589 -3.920 -2.322 1.00 0.00 C ATOM 1641 C VAL A 120 -1.842 -4.745 -3.582 1.00 0.00 C ATOM 1642 O VAL A 120 -0.934 -4.931 -4.387 1.00 0.00 O ATOM 1643 CB VAL A 120 -0.747 -4.783 -1.344 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.641 -4.127 0.021 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -1.308 -6.189 -1.209 1.00 0.00 C ATOM 0 H VAL A 120 -3.040 -3.894 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.039 -3.016 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 120 0.254 -4.858 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.045 -4.757 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.163 -3.152 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.638 -4.000 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.691 -6.762 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.329 -6.139 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -1.307 -6.676 -2.184 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.080 -5.208 -3.754 1.00 0.00 N ATOM 1656 CA TYR A 121 -3.411 -6.186 -4.794 1.00 0.00 C ATOM 1657 C TYR A 121 -3.129 -5.661 -6.204 1.00 0.00 C ATOM 1658 O TYR A 121 -3.028 -6.439 -7.151 1.00 0.00 O ATOM 1659 CB TYR A 121 -4.885 -6.609 -4.686 1.00 0.00 C ATOM 1660 CG TYR A 121 -5.856 -5.610 -5.277 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.030 -4.361 -4.704 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -6.586 -5.915 -6.419 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -6.903 -3.445 -5.246 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.466 -5.003 -6.967 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.619 -3.766 -6.377 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.488 -2.846 -6.924 1.00 0.00 O ATOM 0 H TYR A 121 -3.875 -4.920 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.767 -7.049 -4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.015 -7.568 -5.188 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.132 -6.763 -3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.471 -4.101 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.463 -6.881 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.026 -2.476 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.031 -5.257 -7.852 1.00 0.00 H new ATOM 0 HH TYR A 121 -8.913 -3.230 -7.719 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.003 -4.350 -6.340 1.00 0.00 N ATOM 1677 CA CYS A 122 -2.815 -3.744 -7.646 1.00 0.00 C ATOM 1678 C CYS A 122 -1.512 -2.954 -7.701 1.00 0.00 C ATOM 1679 O CYS A 122 -1.305 -2.158 -8.611 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.011 -2.838 -7.975 1.00 0.00 C ATOM 1681 SG CYS A 122 -3.982 -2.112 -9.635 1.00 0.00 S ATOM 0 H CYS A 122 -3.028 -3.688 -5.564 1.00 0.00 H new ATOM 0 HA CYS A 122 -2.754 -4.537 -8.391 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -4.928 -3.416 -7.863 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.051 -2.032 -7.242 1.00 0.00 H new ATOM 0 HG CYS A 122 -2.754 -1.851 -9.973 1.00 0.00 H new ATOM 1687 N LEU A 123 -0.628 -3.165 -6.726 1.00 0.00 N ATOM 1688 CA LEU A 123 0.628 -2.424 -6.691 1.00 0.00 C ATOM 1689 C LEU A 123 1.791 -3.300 -6.255 1.00 0.00 C ATOM 1690 O LEU A 123 2.813 -3.381 -6.935 1.00 0.00 O ATOM 1691 CB LEU A 123 0.517 -1.238 -5.735 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.496 -0.171 -6.133 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.614 0.861 -5.032 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.086 0.488 -7.441 1.00 0.00 C ATOM 0 H LEU A 123 -0.756 -3.831 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 123 0.820 -2.073 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.254 -1.613 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.498 -0.770 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.468 -0.642 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.339 1.621 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.944 0.376 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.356 1.330 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.820 1.247 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.892 0.954 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.036 -0.265 -8.228 1.00 0.00 H new ATOM 1706 N ALA A 124 1.617 -3.967 -5.129 1.00 0.00 N ATOM 1707 CA ALA A 124 2.707 -4.658 -4.469 1.00 0.00 C ATOM 1708 C ALA A 124 2.551 -6.170 -4.562 1.00 0.00 C ATOM 1709 O ALA A 124 1.452 -6.672 -4.811 1.00 0.00 O ATOM 1710 CB ALA A 124 2.796 -4.216 -3.011 1.00 0.00 C ATOM 0 H ALA A 124 0.720 -4.044 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 124 3.633 -4.394 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.617 -4.739 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.973 -3.141 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.861 -4.451 -2.502 1.00 0.00 H new ATOM 1716 N PRO A 125 3.671 -6.904 -4.444 1.00 0.00 N ATOM 1717 CA PRO A 125 3.674 -8.377 -4.300 1.00 0.00 C ATOM 1718 C PRO A 125 2.771 -8.852 -3.134 1.00 0.00 C ATOM 1719 O PRO A 125 2.002 -8.057 -2.585 1.00 0.00 O ATOM 1720 CB PRO A 125 5.157 -8.674 -4.017 1.00 0.00 C ATOM 1721 CG PRO A 125 5.895 -7.561 -4.665 1.00 0.00 C ATOM 1722 CD PRO A 125 5.038 -6.353 -4.460 1.00 0.00 C ATOM 0 HA PRO A 125 3.279 -8.894 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.356 -8.710 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.453 -9.639 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 125 6.879 -7.427 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 125 6.052 -7.757 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 125 5.277 -5.844 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 125 5.169 -5.626 -5.262 1.00 0.00 H new ATOM 1730 N PRO A 126 2.840 -10.138 -2.705 1.00 0.00 N ATOM 1731 CA PRO A 126 1.978 -10.649 -1.625 1.00 0.00 C ATOM 1732 C PRO A 126 2.338 -10.067 -0.260 1.00 0.00 C ATOM 1733 O PRO A 126 1.873 -10.558 0.771 1.00 0.00 O ATOM 1734 CB PRO A 126 2.259 -12.151 -1.639 1.00 0.00 C ATOM 1735 CG PRO A 126 3.660 -12.227 -2.114 1.00 0.00 C ATOM 1736 CD PRO A 126 3.734 -11.204 -3.209 1.00 0.00 C ATOM 0 HA PRO A 126 0.933 -10.384 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 126 2.145 -12.592 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 126 1.578 -12.682 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.365 -12.004 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.902 -13.224 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.751 -10.844 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.392 -11.604 -4.163 1.00 0.00 H new ATOM 1744 N ILE A 127 3.151 -9.009 -0.269 1.00 0.00 N ATOM 1745 CA ILE A 127 3.640 -8.356 0.936 1.00 0.00 C ATOM 1746 C ILE A 127 4.612 -9.215 1.734 1.00 0.00 C ATOM 1747 O ILE A 127 5.645 -8.729 2.195 1.00 0.00 O ATOM 1748 CB ILE A 127 2.465 -7.908 1.813 1.00 0.00 C ATOM 1749 CG1 ILE A 127 1.609 -6.926 1.019 1.00 0.00 C ATOM 1750 CG2 ILE A 127 2.955 -7.306 3.118 1.00 0.00 C ATOM 1751 CD1 ILE A 127 2.381 -5.744 0.488 1.00 0.00 C ATOM 0 H ILE A 127 3.490 -8.579 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 127 4.203 -7.481 0.611 1.00 0.00 H new ATOM 0 HB ILE A 127 1.856 -8.771 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.147 -7.452 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.800 -6.565 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.100 -6.997 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 127 3.535 -8.048 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.582 -6.440 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 127 1.708 -5.089 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.821 -5.193 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 127 3.173 -6.094 -0.174 1.00 0.00 H new