USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 524 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 66 THR OG1 : rot -122:sc= 0.0163 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.216 K(o=0.23,f=-5.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.256 (180deg=-1.21!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.943 (180deg=-1.74) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.58! C(o=-1.6!,f=-8.2!) USER MOD Single : A 43 SER OG : rot -81:sc= 1.39 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.38 F(o=-0.89,f=-0.38) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.257 F(o=-1.1,f=-0.26) USER MOD Single : A 72 ASN : amide:sc= -0.818 K(o=-0.82,f=-5.1!) USER MOD Single : A 74 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.9) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0195 F(o=-0.95,f=-0.02) USER MOD Single : A 79 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.033) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.811 -2.247 -5.471 1.00 0.00 N ATOM 148 CA ILE A 13 14.329 -2.142 -5.372 1.00 0.00 C ATOM 149 C ILE A 13 13.784 -3.391 -4.674 1.00 0.00 C ATOM 150 O ILE A 13 14.276 -4.483 -4.879 1.00 0.00 O ATOM 151 CB ILE A 13 13.734 -2.043 -6.784 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.477 -0.963 -7.583 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.246 -1.686 -6.708 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.514 0.351 -6.795 1.00 0.00 C ATOM 0 HA ILE A 13 14.057 -1.255 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 13 13.844 -3.007 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.493 -1.295 -7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.983 -0.806 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.836 -1.619 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.715 -2.458 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.127 -0.727 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.044 1.108 -7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.496 0.689 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.029 0.193 -5.847 1.00 0.00 H new ATOM 166 N ILE A 14 12.791 -3.238 -3.833 1.00 0.00 N ATOM 167 CA ILE A 14 12.221 -4.406 -3.089 1.00 0.00 C ATOM 168 C ILE A 14 10.722 -4.507 -3.366 1.00 0.00 C ATOM 169 O ILE A 14 10.054 -3.511 -3.557 1.00 0.00 O ATOM 170 CB ILE A 14 12.438 -4.173 -1.590 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.937 -4.031 -1.316 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.885 -5.355 -0.789 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.153 -3.576 0.127 1.00 0.00 C ATOM 0 H ILE A 14 12.346 -2.344 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 14 12.709 -5.327 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 14 11.917 -3.264 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.440 -4.983 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.376 -3.310 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.044 -5.180 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.818 -5.459 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.399 -6.269 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.221 -3.475 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.664 -2.614 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.729 -4.313 0.808 1.00 0.00 H new ATOM 185 N THR A 15 10.182 -5.700 -3.365 1.00 0.00 N ATOM 186 CA THR A 15 8.719 -5.889 -3.600 1.00 0.00 C ATOM 187 C THR A 15 8.160 -6.731 -2.454 1.00 0.00 C ATOM 188 O THR A 15 8.754 -7.704 -2.034 1.00 0.00 O ATOM 189 CB THR A 15 8.500 -6.622 -4.924 1.00 0.00 C ATOM 190 OG1 THR A 15 9.342 -6.063 -5.922 1.00 0.00 O ATOM 191 CG2 THR A 15 7.038 -6.487 -5.349 1.00 0.00 C ATOM 0 H THR A 15 10.702 -6.564 -3.209 1.00 0.00 H new ATOM 0 HA THR A 15 8.216 -4.923 -3.644 1.00 0.00 H new ATOM 0 HB THR A 15 8.742 -7.677 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.202 -6.535 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.884 -7.010 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.395 -6.922 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.791 -5.433 -5.474 1.00 0.00 H new ATOM 199 N THR A 16 7.020 -6.358 -1.947 1.00 0.00 N ATOM 200 CA THR A 16 6.394 -7.119 -0.822 1.00 0.00 C ATOM 201 C THR A 16 4.890 -7.210 -1.072 1.00 0.00 C ATOM 202 O THR A 16 4.302 -6.288 -1.604 1.00 0.00 O ATOM 203 CB THR A 16 6.658 -6.383 0.498 1.00 0.00 C ATOM 204 OG1 THR A 16 5.993 -7.060 1.556 1.00 0.00 O ATOM 205 CG2 THR A 16 6.143 -4.945 0.407 1.00 0.00 C ATOM 0 H THR A 16 6.486 -5.549 -2.265 1.00 0.00 H new ATOM 0 HA THR A 16 6.819 -8.121 -0.762 1.00 0.00 H new ATOM 0 HB THR A 16 7.731 -6.365 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.162 -6.592 2.401 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.334 -4.430 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.656 -4.425 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.071 -4.954 0.210 1.00 0.00 H new ATOM 213 N GLN A 17 4.254 -8.304 -0.706 1.00 0.00 N ATOM 214 CA GLN A 17 2.774 -8.428 -0.946 1.00 0.00 C ATOM 215 C GLN A 17 2.024 -8.398 0.386 1.00 0.00 C ATOM 216 O GLN A 17 2.501 -8.886 1.391 1.00 0.00 O ATOM 217 CB GLN A 17 2.474 -9.738 -1.678 1.00 0.00 C ATOM 218 CG GLN A 17 3.049 -9.678 -3.094 1.00 0.00 C ATOM 219 CD GLN A 17 2.933 -11.055 -3.750 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.887 -11.808 -3.783 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.797 -11.421 -4.277 1.00 0.00 N ATOM 0 H GLN A 17 4.690 -9.109 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 17 2.444 -7.590 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.907 -10.578 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.398 -9.905 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.512 -8.936 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.093 -9.366 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.996 -10.790 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.710 -12.338 -4.716 1.00 0.00 H new ATOM 230 N VAL A 18 0.847 -7.815 0.394 1.00 0.00 N ATOM 231 CA VAL A 18 0.032 -7.721 1.646 1.00 0.00 C ATOM 232 C VAL A 18 -1.350 -8.328 1.389 1.00 0.00 C ATOM 233 O VAL A 18 -1.873 -8.262 0.294 1.00 0.00 O ATOM 234 CB VAL A 18 -0.139 -6.237 2.008 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.547 -6.094 3.476 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.182 -5.501 1.774 1.00 0.00 C ATOM 0 H VAL A 18 0.412 -7.395 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 18 0.527 -8.255 2.457 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.919 -5.806 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.665 -5.038 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.491 -6.613 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.224 -6.529 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.062 -4.448 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.959 -5.941 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.467 -5.589 0.726 1.00 0.00 H new ATOM 246 N THR A 19 -1.946 -8.902 2.401 1.00 0.00 N ATOM 247 CA THR A 19 -3.307 -9.511 2.258 1.00 0.00 C ATOM 248 C THR A 19 -4.230 -8.833 3.276 1.00 0.00 C ATOM 249 O THR A 19 -3.901 -8.720 4.441 1.00 0.00 O ATOM 250 CB THR A 19 -3.227 -11.018 2.537 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.056 -11.544 1.930 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.458 -11.720 1.959 1.00 0.00 C ATOM 0 H THR A 19 -1.543 -8.977 3.335 1.00 0.00 H new ATOM 0 HA THR A 19 -3.691 -9.368 1.248 1.00 0.00 H new ATOM 0 HB THR A 19 -3.192 -11.185 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.000 -12.506 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.395 -12.789 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.358 -11.316 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.499 -11.555 0.882 1.00 0.00 H new ATOM 260 N ILE A 20 -5.374 -8.366 2.838 1.00 0.00 N ATOM 261 CA ILE A 20 -6.333 -7.669 3.761 1.00 0.00 C ATOM 262 C ILE A 20 -7.720 -8.341 3.640 1.00 0.00 C ATOM 263 O ILE A 20 -8.166 -8.599 2.540 1.00 0.00 O ATOM 264 CB ILE A 20 -6.454 -6.174 3.326 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.952 -5.996 1.880 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.617 -5.275 4.253 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.103 -4.536 1.435 1.00 0.00 C ATOM 0 H ILE A 20 -5.690 -8.437 1.871 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.977 -7.731 4.789 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.504 -5.888 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.907 -6.297 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.515 -6.646 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.712 -4.236 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.975 -5.376 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.570 -5.575 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.744 -4.429 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.153 -4.248 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.520 -3.893 2.094 1.00 0.00 H new ATOM 279 N PRO A 21 -8.429 -8.600 4.721 1.00 0.00 N ATOM 280 CA PRO A 21 -9.779 -9.211 4.587 1.00 0.00 C ATOM 281 C PRO A 21 -10.686 -8.353 3.685 1.00 0.00 C ATOM 282 O PRO A 21 -10.674 -7.140 3.759 1.00 0.00 O ATOM 283 CB PRO A 21 -10.287 -9.256 6.044 1.00 0.00 C ATOM 284 CG PRO A 21 -9.168 -8.733 6.971 1.00 0.00 C ATOM 285 CD PRO A 21 -7.959 -8.321 6.108 1.00 0.00 C ATOM 0 HA PRO A 21 -9.768 -10.195 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.184 -8.646 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.560 -10.275 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.525 -7.882 7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.877 -9.505 7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.705 -7.270 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.069 -8.899 6.357 1.00 0.00 H new ATOM 293 N LYS A 22 -11.438 -8.969 2.816 1.00 0.00 N ATOM 294 CA LYS A 22 -12.308 -8.186 1.886 1.00 0.00 C ATOM 295 C LYS A 22 -13.024 -7.040 2.615 1.00 0.00 C ATOM 296 O LYS A 22 -13.172 -5.959 2.078 1.00 0.00 O ATOM 297 CB LYS A 22 -13.345 -9.116 1.236 1.00 0.00 C ATOM 298 CG LYS A 22 -14.342 -9.630 2.279 1.00 0.00 C ATOM 299 CD LYS A 22 -15.274 -10.651 1.623 1.00 0.00 C ATOM 300 CE LYS A 22 -16.116 -11.349 2.695 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.225 -11.910 3.750 1.00 0.00 N ATOM 0 H LYS A 22 -11.490 -9.982 2.707 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.670 -7.750 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.878 -8.581 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.840 -9.958 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.810 -10.088 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.920 -8.801 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.924 -10.154 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.690 -11.387 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.818 -10.642 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.708 -12.146 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.615 -12.812 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.277 -12.070 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.161 -11.240 4.543 1.00 0.00 H new ATOM 315 N ASP A 23 -13.501 -7.262 3.809 1.00 0.00 N ATOM 316 CA ASP A 23 -14.236 -6.177 4.527 1.00 0.00 C ATOM 317 C ASP A 23 -13.322 -4.975 4.800 1.00 0.00 C ATOM 318 O ASP A 23 -13.678 -3.834 4.542 1.00 0.00 O ATOM 319 CB ASP A 23 -14.794 -6.714 5.846 1.00 0.00 C ATOM 320 CG ASP A 23 -15.817 -7.815 5.557 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.527 -7.693 4.573 1.00 0.00 O ATOM 322 OD2 ASP A 23 -15.872 -8.761 6.325 1.00 0.00 O ATOM 0 H ASP A 23 -13.416 -8.142 4.318 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.056 -5.843 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.985 -7.107 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.262 -5.907 6.411 1.00 0.00 H new ATOM 327 N LEU A 24 -12.136 -5.205 5.287 1.00 0.00 N ATOM 328 CA LEU A 24 -11.202 -4.086 5.550 1.00 0.00 C ATOM 329 C LEU A 24 -10.620 -3.624 4.216 1.00 0.00 C ATOM 330 O LEU A 24 -10.118 -2.525 4.087 1.00 0.00 O ATOM 331 CB LEU A 24 -10.065 -4.576 6.470 1.00 0.00 C ATOM 332 CG LEU A 24 -10.478 -4.442 7.945 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.714 -5.299 8.223 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.324 -4.904 8.845 1.00 0.00 C ATOM 0 H LEU A 24 -11.774 -6.131 5.515 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.724 -3.262 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.828 -5.616 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.161 -3.995 6.284 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.712 -3.398 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.999 -5.198 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.537 -4.968 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.488 -6.343 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.617 -4.809 9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.088 -5.946 8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.446 -4.286 8.657 1.00 0.00 H new ATOM 346 N ALA A 25 -10.675 -4.469 3.224 1.00 0.00 N ATOM 347 CA ALA A 25 -10.119 -4.110 1.897 1.00 0.00 C ATOM 348 C ALA A 25 -10.925 -2.968 1.289 1.00 0.00 C ATOM 349 O ALA A 25 -10.395 -2.084 0.647 1.00 0.00 O ATOM 350 CB ALA A 25 -10.226 -5.318 0.971 1.00 0.00 C ATOM 0 H ALA A 25 -11.086 -5.401 3.280 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.079 -3.806 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.819 -5.063 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.663 -6.151 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.272 -5.604 0.866 1.00 0.00 H new ATOM 356 N ARG A 26 -12.218 -2.998 1.475 1.00 0.00 N ATOM 357 CA ARG A 26 -13.075 -1.932 0.891 1.00 0.00 C ATOM 358 C ARG A 26 -12.903 -0.651 1.697 1.00 0.00 C ATOM 359 O ARG A 26 -12.977 0.437 1.159 1.00 0.00 O ATOM 360 CB ARG A 26 -14.540 -2.370 0.890 1.00 0.00 C ATOM 361 CG ARG A 26 -14.733 -3.503 -0.127 1.00 0.00 C ATOM 362 CD ARG A 26 -16.222 -3.910 -0.207 1.00 0.00 C ATOM 363 NE ARG A 26 -16.344 -5.404 -0.210 1.00 0.00 N ATOM 364 CZ ARG A 26 -15.595 -6.146 -0.987 1.00 0.00 C ATOM 365 NH1 ARG A 26 -14.800 -5.596 -1.862 1.00 0.00 N ATOM 366 NH2 ARG A 26 -15.669 -7.447 -0.907 1.00 0.00 N ATOM 0 H ARG A 26 -12.714 -3.714 2.005 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.774 -1.750 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.831 -2.706 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.183 -1.527 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.384 -3.182 -1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.129 -4.364 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.768 -3.494 0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.672 -3.498 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.024 -5.851 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.758 -4.580 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.220 -6.181 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.308 -7.881 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.088 -8.029 -1.510 1.00 0.00 H new ATOM 380 N SER A 27 -12.665 -0.747 2.977 1.00 0.00 N ATOM 381 CA SER A 27 -12.483 0.492 3.778 1.00 0.00 C ATOM 382 C SER A 27 -11.164 1.163 3.379 1.00 0.00 C ATOM 383 O SER A 27 -11.026 2.369 3.446 1.00 0.00 O ATOM 384 CB SER A 27 -12.439 0.142 5.265 1.00 0.00 C ATOM 385 OG SER A 27 -12.614 1.327 6.030 1.00 0.00 O ATOM 0 H SER A 27 -12.590 -1.622 3.497 1.00 0.00 H new ATOM 0 HA SER A 27 -13.315 1.170 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.221 -0.578 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.487 -0.327 5.512 1.00 0.00 H new ATOM 0 HG SER A 27 -12.588 1.107 6.985 1.00 0.00 H new ATOM 391 N ILE A 28 -10.171 0.388 3.011 1.00 0.00 N ATOM 392 CA ILE A 28 -8.848 0.981 2.667 1.00 0.00 C ATOM 393 C ILE A 28 -8.858 1.545 1.244 1.00 0.00 C ATOM 394 O ILE A 28 -8.353 2.619 0.985 1.00 0.00 O ATOM 395 CB ILE A 28 -7.782 -0.112 2.766 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.651 -0.576 4.220 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.441 0.432 2.280 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.896 -1.906 4.259 1.00 0.00 C ATOM 0 H ILE A 28 -10.224 -0.628 2.935 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.632 1.794 3.360 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.076 -0.957 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.121 0.174 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.638 -0.692 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.684 -0.349 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.533 0.754 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.147 1.280 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.800 -2.240 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.445 -2.653 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.904 -1.774 3.827 1.00 0.00 H new ATOM 410 N ILE A 29 -9.409 0.812 0.317 1.00 0.00 N ATOM 411 CA ILE A 29 -9.420 1.298 -1.090 1.00 0.00 C ATOM 412 C ILE A 29 -10.340 2.511 -1.215 1.00 0.00 C ATOM 413 O ILE A 29 -10.069 3.419 -1.968 1.00 0.00 O ATOM 414 CB ILE A 29 -9.894 0.178 -2.026 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.991 -1.056 -1.863 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.829 0.664 -3.477 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.691 -2.283 -2.451 1.00 0.00 C ATOM 0 H ILE A 29 -9.849 -0.095 0.471 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.409 1.591 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.920 -0.089 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.038 -0.892 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.770 -1.221 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.166 -0.131 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.473 1.535 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.802 0.934 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.051 -3.157 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.632 -2.451 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.889 -2.116 -3.510 1.00 0.00 H new ATOM 429 N GLY A 30 -11.434 2.546 -0.507 1.00 0.00 N ATOM 430 CA GLY A 30 -12.359 3.712 -0.633 1.00 0.00 C ATOM 431 C GLY A 30 -13.351 3.417 -1.760 1.00 0.00 C ATOM 432 O GLY A 30 -13.388 2.326 -2.291 1.00 0.00 O ATOM 0 H GLY A 30 -11.729 1.824 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.888 3.880 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.797 4.621 -0.849 1.00 0.00 H new ATOM 436 N LYS A 31 -14.155 4.377 -2.137 1.00 0.00 N ATOM 437 CA LYS A 31 -15.141 4.135 -3.235 1.00 0.00 C ATOM 438 C LYS A 31 -14.524 4.529 -4.582 1.00 0.00 C ATOM 439 O LYS A 31 -14.931 4.048 -5.621 1.00 0.00 O ATOM 440 CB LYS A 31 -16.392 4.974 -2.987 1.00 0.00 C ATOM 441 CG LYS A 31 -17.529 4.472 -3.882 1.00 0.00 C ATOM 442 CD LYS A 31 -18.666 5.495 -3.893 1.00 0.00 C ATOM 443 CE LYS A 31 -19.160 5.739 -2.465 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.242 4.442 -1.736 1.00 0.00 N ATOM 0 H LYS A 31 -14.173 5.314 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.406 3.078 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.684 4.909 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.186 6.024 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.163 4.310 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.894 3.512 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.321 6.431 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.486 5.134 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.483 6.417 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.138 6.219 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.902 4.534 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.582 3.701 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.300 4.184 -1.379 1.00 0.00 H new ATOM 458 N GLY A 32 -13.553 5.408 -4.570 1.00 0.00 N ATOM 459 CA GLY A 32 -12.903 5.856 -5.846 1.00 0.00 C ATOM 460 C GLY A 32 -11.386 5.694 -5.742 1.00 0.00 C ATOM 461 O GLY A 32 -10.644 6.289 -6.499 1.00 0.00 O ATOM 0 H GLY A 32 -13.178 5.839 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.283 5.271 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.153 6.898 -6.046 1.00 0.00 H new ATOM 465 N GLY A 33 -10.907 4.908 -4.820 1.00 0.00 N ATOM 466 CA GLY A 33 -9.431 4.743 -4.698 1.00 0.00 C ATOM 467 C GLY A 33 -8.831 6.035 -4.142 1.00 0.00 C ATOM 468 O GLY A 33 -7.654 6.093 -3.844 1.00 0.00 O ATOM 0 H GLY A 33 -11.466 4.377 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.199 3.906 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.996 4.514 -5.671 1.00 0.00 H new ATOM 472 N GLN A 34 -9.614 7.082 -4.048 1.00 0.00 N ATOM 473 CA GLN A 34 -9.081 8.398 -3.559 1.00 0.00 C ATOM 474 C GLN A 34 -8.083 8.179 -2.411 1.00 0.00 C ATOM 475 O GLN A 34 -7.212 8.993 -2.173 1.00 0.00 O ATOM 476 CB GLN A 34 -10.259 9.238 -3.032 1.00 0.00 C ATOM 477 CG GLN A 34 -11.050 9.835 -4.203 1.00 0.00 C ATOM 478 CD GLN A 34 -12.185 10.706 -3.660 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.071 11.915 -3.618 1.00 0.00 O ATOM 480 NE2 GLN A 34 -13.283 10.139 -3.240 1.00 0.00 N ATOM 0 H GLN A 34 -10.605 7.084 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.575 8.907 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.914 8.617 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.887 10.037 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.391 10.430 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.455 9.038 -4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.379 9.124 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.045 10.711 -2.877 1.00 0.00 H new ATOM 489 N ARG A 35 -8.218 7.103 -1.678 1.00 0.00 N ATOM 490 CA ARG A 35 -7.292 6.863 -0.526 1.00 0.00 C ATOM 491 C ARG A 35 -5.993 6.218 -1.016 1.00 0.00 C ATOM 492 O ARG A 35 -4.922 6.522 -0.529 1.00 0.00 O ATOM 493 CB ARG A 35 -7.972 5.931 0.497 1.00 0.00 C ATOM 494 CG ARG A 35 -7.019 5.628 1.666 1.00 0.00 C ATOM 495 CD ARG A 35 -6.534 6.927 2.327 1.00 0.00 C ATOM 496 NE ARG A 35 -7.644 7.921 2.387 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.551 8.952 3.183 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.486 9.112 3.922 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.521 9.822 3.241 1.00 0.00 N ATOM 0 H ARG A 35 -8.925 6.383 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.059 7.818 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.882 6.397 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.268 5.001 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.528 5.007 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.163 5.057 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.169 6.718 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.697 7.340 1.764 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.474 7.796 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.727 8.432 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.413 9.917 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.353 9.697 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.448 10.627 3.863 1.00 0.00 H new ATOM 513 N ILE A 36 -6.067 5.334 -1.975 1.00 0.00 N ATOM 514 CA ILE A 36 -4.820 4.689 -2.479 1.00 0.00 C ATOM 515 C ILE A 36 -4.051 5.694 -3.358 1.00 0.00 C ATOM 516 O ILE A 36 -2.843 5.633 -3.466 1.00 0.00 O ATOM 517 CB ILE A 36 -5.185 3.395 -3.251 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.123 2.179 -2.299 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.242 3.167 -4.442 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.673 1.700 -2.107 1.00 0.00 C ATOM 0 H ILE A 36 -6.930 5.032 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.171 4.405 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.198 3.510 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.552 2.447 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.728 1.366 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.526 2.252 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.313 4.010 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.217 3.077 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.659 0.844 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.255 1.410 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.077 2.507 -1.681 1.00 0.00 H new ATOM 532 N LYS A 37 -4.737 6.615 -3.975 1.00 0.00 N ATOM 533 CA LYS A 37 -4.032 7.612 -4.830 1.00 0.00 C ATOM 534 C LYS A 37 -3.239 8.568 -3.934 1.00 0.00 C ATOM 535 O LYS A 37 -2.102 8.893 -4.215 1.00 0.00 O ATOM 536 CB LYS A 37 -5.058 8.399 -5.647 1.00 0.00 C ATOM 537 CG LYS A 37 -5.814 7.441 -6.571 1.00 0.00 C ATOM 538 CD LYS A 37 -6.797 8.230 -7.438 1.00 0.00 C ATOM 539 CE LYS A 37 -7.463 7.285 -8.440 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.399 8.056 -9.306 1.00 0.00 N ATOM 0 H LYS A 37 -5.750 6.721 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.351 7.100 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.756 8.907 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.558 9.170 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.111 6.899 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.350 6.698 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.552 8.704 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.274 9.028 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.706 6.794 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.003 6.500 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.851 7.413 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.129 8.504 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.871 8.790 -9.821 1.00 0.00 H new ATOM 554 N GLN A 38 -3.824 9.027 -2.862 1.00 0.00 N ATOM 555 CA GLN A 38 -3.091 9.968 -1.965 1.00 0.00 C ATOM 556 C GLN A 38 -1.837 9.289 -1.400 1.00 0.00 C ATOM 557 O GLN A 38 -0.766 9.862 -1.387 1.00 0.00 O ATOM 558 CB GLN A 38 -4.004 10.386 -0.809 1.00 0.00 C ATOM 559 CG GLN A 38 -3.323 11.489 0.003 1.00 0.00 C ATOM 560 CD GLN A 38 -4.285 12.004 1.075 1.00 0.00 C ATOM 561 OE1 GLN A 38 -4.862 13.063 0.931 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.485 11.293 2.151 1.00 0.00 N ATOM 0 H GLN A 38 -4.773 8.794 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.795 10.846 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.959 10.741 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.217 9.528 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.416 11.104 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.023 12.306 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.000 10.404 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.126 11.627 2.871 1.00 0.00 H new ATOM 571 N ILE A 39 -1.961 8.080 -0.925 1.00 0.00 N ATOM 572 CA ILE A 39 -0.776 7.375 -0.352 1.00 0.00 C ATOM 573 C ILE A 39 0.343 7.293 -1.396 1.00 0.00 C ATOM 574 O ILE A 39 1.512 7.335 -1.067 1.00 0.00 O ATOM 575 CB ILE A 39 -1.180 5.958 0.067 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.230 6.036 1.178 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.051 5.206 0.582 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.813 4.643 1.427 1.00 0.00 C ATOM 0 H ILE A 39 -2.831 7.548 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.418 7.930 0.515 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.595 5.430 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.780 6.422 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.023 6.729 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.237 4.198 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.800 5.151 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.467 5.733 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.561 4.698 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.278 4.275 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.016 3.963 1.728 1.00 0.00 H new ATOM 590 N ARG A 40 -0.003 7.170 -2.648 1.00 0.00 N ATOM 591 CA ARG A 40 1.047 7.076 -3.703 1.00 0.00 C ATOM 592 C ARG A 40 1.801 8.405 -3.814 1.00 0.00 C ATOM 593 O ARG A 40 3.006 8.434 -3.968 1.00 0.00 O ATOM 594 CB ARG A 40 0.391 6.753 -5.050 1.00 0.00 C ATOM 595 CG ARG A 40 -0.005 5.275 -5.090 1.00 0.00 C ATOM 596 CD ARG A 40 -0.638 4.954 -6.445 1.00 0.00 C ATOM 597 NE ARG A 40 0.354 5.204 -7.528 1.00 0.00 N ATOM 598 CZ ARG A 40 0.148 4.727 -8.725 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.928 4.031 -8.973 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.017 4.945 -9.673 1.00 0.00 N ATOM 0 H ARG A 40 -0.965 7.131 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 40 1.749 6.286 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.489 7.379 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.080 6.977 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.872 4.648 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.708 5.054 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.964 3.914 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.524 5.570 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 40 1.195 5.748 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.607 3.860 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.090 3.658 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.858 5.489 -9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.856 4.572 -10.608 1.00 0.00 H new ATOM 614 N HIS A 41 1.103 9.506 -3.751 1.00 0.00 N ATOM 615 CA HIS A 41 1.784 10.827 -3.870 1.00 0.00 C ATOM 616 C HIS A 41 2.458 11.196 -2.546 1.00 0.00 C ATOM 617 O HIS A 41 3.493 11.830 -2.520 1.00 0.00 O ATOM 618 CB HIS A 41 0.750 11.896 -4.228 1.00 0.00 C ATOM 619 CG HIS A 41 1.451 13.183 -4.565 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.575 13.615 -3.876 1.00 0.00 N ATOM 621 CD2 HIS A 41 1.200 14.144 -5.512 1.00 0.00 C ATOM 622 CE1 HIS A 41 2.954 14.788 -4.416 1.00 0.00 C ATOM 623 NE2 HIS A 41 2.150 15.157 -5.416 1.00 0.00 N ATOM 0 H HIS A 41 0.092 9.548 -3.622 1.00 0.00 H new ATOM 0 HA HIS A 41 2.544 10.768 -4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.148 11.565 -5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.067 12.050 -3.393 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.031 13.132 -3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.388 14.118 -6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.806 15.362 -4.081 1.00 0.00 H new ATOM 631 N GLU A 42 1.869 10.820 -1.443 1.00 0.00 N ATOM 632 CA GLU A 42 2.465 11.165 -0.121 1.00 0.00 C ATOM 633 C GLU A 42 3.662 10.262 0.183 1.00 0.00 C ATOM 634 O GLU A 42 4.670 10.706 0.696 1.00 0.00 O ATOM 635 CB GLU A 42 1.409 10.997 0.973 1.00 0.00 C ATOM 636 CG GLU A 42 1.969 11.498 2.306 1.00 0.00 C ATOM 637 CD GLU A 42 0.873 11.448 3.372 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.020 12.321 3.358 1.00 0.00 O ATOM 639 OE2 GLU A 42 0.904 10.537 4.183 1.00 0.00 O ATOM 0 H GLU A 42 1.000 10.288 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 42 2.807 12.200 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.509 11.554 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.122 9.949 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.816 10.883 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.339 12.518 2.197 1.00 0.00 H new ATOM 646 N SER A 43 3.559 8.991 -0.107 1.00 0.00 N ATOM 647 CA SER A 43 4.690 8.062 0.192 1.00 0.00 C ATOM 648 C SER A 43 5.691 8.048 -0.966 1.00 0.00 C ATOM 649 O SER A 43 6.843 7.702 -0.794 1.00 0.00 O ATOM 650 CB SER A 43 4.146 6.651 0.413 1.00 0.00 C ATOM 651 OG SER A 43 3.899 6.042 -0.848 1.00 0.00 O ATOM 0 H SER A 43 2.743 8.557 -0.537 1.00 0.00 H new ATOM 0 HA SER A 43 5.199 8.406 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.861 6.058 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.227 6.690 0.998 1.00 0.00 H new ATOM 0 HG SER A 43 3.035 6.347 -1.195 1.00 0.00 H new ATOM 657 N GLY A 44 5.263 8.394 -2.148 1.00 0.00 N ATOM 658 CA GLY A 44 6.200 8.367 -3.306 1.00 0.00 C ATOM 659 C GLY A 44 6.369 6.913 -3.740 1.00 0.00 C ATOM 660 O GLY A 44 7.100 6.599 -4.658 1.00 0.00 O ATOM 0 H GLY A 44 4.311 8.692 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.809 8.967 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.163 8.796 -3.028 1.00 0.00 H new ATOM 664 N ALA A 45 5.692 6.024 -3.067 1.00 0.00 N ATOM 665 CA ALA A 45 5.788 4.577 -3.399 1.00 0.00 C ATOM 666 C ALA A 45 4.819 4.237 -4.528 1.00 0.00 C ATOM 667 O ALA A 45 3.855 4.936 -4.777 1.00 0.00 O ATOM 668 CB ALA A 45 5.420 3.756 -2.162 1.00 0.00 C ATOM 0 H ALA A 45 5.068 6.243 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 45 6.805 4.346 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.488 2.694 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.108 3.993 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.402 3.996 -1.856 1.00 0.00 H new ATOM 674 N SER A 46 5.051 3.126 -5.175 1.00 0.00 N ATOM 675 CA SER A 46 4.139 2.657 -6.259 1.00 0.00 C ATOM 676 C SER A 46 3.402 1.437 -5.712 1.00 0.00 C ATOM 677 O SER A 46 3.984 0.629 -5.017 1.00 0.00 O ATOM 678 CB SER A 46 4.959 2.257 -7.487 1.00 0.00 C ATOM 679 OG SER A 46 4.079 1.837 -8.523 1.00 0.00 O ATOM 0 H SER A 46 5.847 2.514 -4.995 1.00 0.00 H new ATOM 0 HA SER A 46 3.441 3.440 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.562 3.099 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.649 1.453 -7.232 1.00 0.00 H new ATOM 0 HG SER A 46 4.601 1.582 -9.312 1.00 0.00 H new ATOM 685 N ILE A 47 2.129 1.290 -5.987 1.00 0.00 N ATOM 686 CA ILE A 47 1.369 0.118 -5.449 1.00 0.00 C ATOM 687 C ILE A 47 0.459 -0.455 -6.533 1.00 0.00 C ATOM 688 O ILE A 47 -0.188 0.271 -7.263 1.00 0.00 O ATOM 689 CB ILE A 47 0.518 0.574 -4.250 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.446 0.963 -3.091 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.409 -0.565 -3.798 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.629 1.589 -1.959 1.00 0.00 C ATOM 0 H ILE A 47 1.583 1.932 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 47 2.071 -0.653 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.088 1.431 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.975 0.083 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.201 1.668 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.007 -0.233 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.069 -0.845 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.190 -1.427 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.293 1.863 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.120 2.480 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.109 0.871 -1.603 1.00 0.00 H new ATOM 704 N LYS A 48 0.406 -1.756 -6.640 1.00 0.00 N ATOM 705 CA LYS A 48 -0.452 -2.423 -7.663 1.00 0.00 C ATOM 706 C LYS A 48 -1.425 -3.347 -6.934 1.00 0.00 C ATOM 707 O LYS A 48 -1.024 -4.133 -6.100 1.00 0.00 O ATOM 708 CB LYS A 48 0.441 -3.255 -8.587 1.00 0.00 C ATOM 709 CG LYS A 48 -0.410 -3.932 -9.665 1.00 0.00 C ATOM 710 CD LYS A 48 0.500 -4.710 -10.626 1.00 0.00 C ATOM 711 CE LYS A 48 0.989 -6.008 -9.970 1.00 0.00 C ATOM 712 NZ LYS A 48 1.523 -6.920 -11.021 1.00 0.00 N ATOM 0 H LYS A 48 0.933 -2.398 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.999 -1.686 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.192 -2.617 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.976 -4.008 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.130 -4.607 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.981 -3.184 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.042 -4.941 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.354 -4.093 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.763 -5.788 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.170 -6.490 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.855 -7.801 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.771 -7.138 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.315 -6.458 -11.512 1.00 0.00 H new ATOM 726 N ILE A 49 -2.697 -3.263 -7.225 1.00 0.00 N ATOM 727 CA ILE A 49 -3.696 -4.135 -6.537 1.00 0.00 C ATOM 728 C ILE A 49 -4.054 -5.300 -7.461 1.00 0.00 C ATOM 729 O ILE A 49 -4.290 -5.117 -8.638 1.00 0.00 O ATOM 730 CB ILE A 49 -4.943 -3.299 -6.229 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.541 -2.113 -5.345 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.977 -4.155 -5.493 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.680 -1.096 -5.290 1.00 0.00 C ATOM 0 H ILE A 49 -3.090 -2.623 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.288 -4.531 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.379 -2.939 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.304 -2.461 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.641 -1.643 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.860 -3.554 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.259 -5.003 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.549 -4.519 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.388 -0.256 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.896 -0.737 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.570 -1.569 -4.874 1.00 0.00 H new ATOM 745 N ASP A 50 -4.105 -6.498 -6.939 1.00 0.00 N ATOM 746 CA ASP A 50 -4.455 -7.678 -7.785 1.00 0.00 C ATOM 747 C ASP A 50 -5.951 -7.948 -7.646 1.00 0.00 C ATOM 748 O ASP A 50 -6.540 -7.689 -6.615 1.00 0.00 O ATOM 749 CB ASP A 50 -3.673 -8.899 -7.297 1.00 0.00 C ATOM 750 CG ASP A 50 -3.893 -10.065 -8.262 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.239 -10.089 -9.291 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.714 -10.915 -7.955 1.00 0.00 O ATOM 0 H ASP A 50 -3.918 -6.711 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.205 -7.481 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.611 -8.662 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.999 -9.176 -6.295 1.00 0.00 H new ATOM 757 N GLU A 51 -6.577 -8.481 -8.659 1.00 0.00 N ATOM 758 CA GLU A 51 -8.030 -8.778 -8.553 1.00 0.00 C ATOM 759 C GLU A 51 -8.228 -9.889 -7.510 1.00 0.00 C ATOM 760 O GLU A 51 -7.366 -10.731 -7.349 1.00 0.00 O ATOM 761 CB GLU A 51 -8.531 -9.270 -9.914 1.00 0.00 C ATOM 762 CG GLU A 51 -8.455 -8.127 -10.929 1.00 0.00 C ATOM 763 CD GLU A 51 -6.989 -7.830 -11.253 1.00 0.00 C ATOM 764 OE1 GLU A 51 -6.405 -8.584 -12.013 1.00 0.00 O ATOM 765 OE2 GLU A 51 -6.477 -6.851 -10.737 1.00 0.00 O ATOM 0 H GLU A 51 -6.146 -8.722 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.581 -7.886 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.928 -10.112 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.557 -9.627 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.992 -8.397 -11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.937 -7.236 -10.527 1.00 0.00 H new ATOM 772 N PRO A 52 -9.338 -9.922 -6.806 1.00 0.00 N ATOM 773 CA PRO A 52 -9.555 -10.997 -5.798 1.00 0.00 C ATOM 774 C PRO A 52 -9.570 -12.386 -6.453 1.00 0.00 C ATOM 775 O PRO A 52 -10.093 -12.564 -7.535 1.00 0.00 O ATOM 776 CB PRO A 52 -10.931 -10.628 -5.206 1.00 0.00 C ATOM 777 CG PRO A 52 -11.551 -9.527 -6.086 1.00 0.00 C ATOM 778 CD PRO A 52 -10.434 -8.922 -6.951 1.00 0.00 C ATOM 0 HA PRO A 52 -8.767 -11.056 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.580 -11.503 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.822 -10.278 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.338 -9.941 -6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.011 -8.758 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.743 -8.806 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.134 -7.936 -6.595 1.00 0.00 H new ATOM 853 N ASP A 58 -10.583 -12.376 0.227 1.00 0.00 N ATOM 854 CA ASP A 58 -9.508 -11.399 0.578 1.00 0.00 C ATOM 855 C ASP A 58 -8.962 -10.708 -0.676 1.00 0.00 C ATOM 856 O ASP A 58 -9.032 -11.219 -1.775 1.00 0.00 O ATOM 857 CB ASP A 58 -8.369 -12.150 1.271 1.00 0.00 C ATOM 858 CG ASP A 58 -8.934 -12.990 2.417 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.507 -14.031 2.136 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.786 -12.578 3.556 1.00 0.00 O ATOM 0 HA ASP A 58 -9.926 -10.638 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.854 -12.791 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.633 -11.443 1.653 1.00 0.00 H new ATOM 865 N ARG A 59 -8.386 -9.549 -0.484 1.00 0.00 N ATOM 866 CA ARG A 59 -7.774 -8.775 -1.607 1.00 0.00 C ATOM 867 C ARG A 59 -6.281 -8.645 -1.312 1.00 0.00 C ATOM 868 O ARG A 59 -5.884 -8.436 -0.183 1.00 0.00 O ATOM 869 CB ARG A 59 -8.401 -7.376 -1.684 1.00 0.00 C ATOM 870 CG ARG A 59 -9.829 -7.457 -2.285 1.00 0.00 C ATOM 871 CD ARG A 59 -10.202 -6.150 -3.006 1.00 0.00 C ATOM 872 NE ARG A 59 -11.660 -6.163 -3.313 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.264 -5.058 -3.660 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.590 -3.942 -3.735 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.540 -5.070 -3.931 1.00 0.00 N ATOM 0 H ARG A 59 -8.313 -9.096 0.427 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.943 -9.283 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.443 -6.934 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.778 -6.724 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.886 -8.291 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.550 -7.657 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.957 -5.292 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.625 -6.049 -3.925 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.186 -7.035 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.592 -3.933 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.061 -3.079 -4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.066 -5.942 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.012 -4.207 -4.202 1.00 0.00 H new ATOM 889 N ILE A 60 -5.449 -8.787 -2.314 1.00 0.00 N ATOM 890 CA ILE A 60 -3.971 -8.696 -2.091 1.00 0.00 C ATOM 891 C ILE A 60 -3.416 -7.397 -2.687 1.00 0.00 C ATOM 892 O ILE A 60 -3.989 -6.806 -3.581 1.00 0.00 O ATOM 893 CB ILE A 60 -3.307 -9.908 -2.744 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.688 -11.158 -1.942 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.785 -9.741 -2.734 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.363 -12.404 -2.754 1.00 0.00 C ATOM 0 H ILE A 60 -5.729 -8.962 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.760 -8.689 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.643 -10.002 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.145 -11.176 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.750 -11.137 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.321 -10.609 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.514 -8.842 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.435 -9.652 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.634 -13.292 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.926 -12.387 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.296 -12.427 -2.974 1.00 0.00 H new ATOM 908 N ILE A 61 -2.299 -6.954 -2.176 1.00 0.00 N ATOM 909 CA ILE A 61 -1.684 -5.689 -2.684 1.00 0.00 C ATOM 910 C ILE A 61 -0.169 -5.850 -2.794 1.00 0.00 C ATOM 911 O ILE A 61 0.454 -6.486 -1.971 1.00 0.00 O ATOM 912 CB ILE A 61 -1.997 -4.548 -1.709 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.510 -4.305 -1.713 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.259 -3.272 -2.152 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.857 -3.158 -0.766 1.00 0.00 C ATOM 0 H ILE A 61 -1.783 -7.414 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.094 -5.463 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.668 -4.812 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.846 -4.068 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.033 -5.211 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.483 -2.462 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.185 -3.457 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.586 -2.992 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.934 -2.992 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.537 -3.411 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.347 -2.251 -1.091 1.00 0.00 H new ATOM 927 N THR A 62 0.424 -5.274 -3.814 1.00 0.00 N ATOM 928 CA THR A 62 1.906 -5.379 -4.002 1.00 0.00 C ATOM 929 C THR A 62 2.531 -3.985 -3.903 1.00 0.00 C ATOM 930 O THR A 62 2.169 -3.080 -4.628 1.00 0.00 O ATOM 931 CB THR A 62 2.194 -5.971 -5.387 1.00 0.00 C ATOM 932 OG1 THR A 62 1.565 -7.242 -5.494 1.00 0.00 O ATOM 933 CG2 THR A 62 3.701 -6.131 -5.574 1.00 0.00 C ATOM 0 H THR A 62 -0.060 -4.732 -4.529 1.00 0.00 H new ATOM 0 HA THR A 62 2.331 -6.022 -3.231 1.00 0.00 H new ATOM 0 HB THR A 62 1.805 -5.303 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.745 -7.623 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.903 -6.552 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.184 -5.157 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.094 -6.798 -4.807 1.00 0.00 H new ATOM 941 N ILE A 63 3.467 -3.802 -3.002 1.00 0.00 N ATOM 942 CA ILE A 63 4.127 -2.469 -2.832 1.00 0.00 C ATOM 943 C ILE A 63 5.518 -2.507 -3.467 1.00 0.00 C ATOM 944 O ILE A 63 6.274 -3.428 -3.227 1.00 0.00 O ATOM 945 CB ILE A 63 4.285 -2.184 -1.337 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.939 -2.413 -0.637 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.736 -0.730 -1.142 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.030 -1.965 0.822 1.00 0.00 C ATOM 0 H ILE A 63 3.805 -4.528 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 63 3.521 -1.697 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 63 5.033 -2.851 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.153 -1.857 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.668 -3.468 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.849 -0.524 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.690 -0.574 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.989 -0.058 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.071 -2.130 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.803 -2.540 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.281 -0.905 0.862 1.00 0.00 H new ATOM 960 N THR A 64 5.878 -1.522 -4.256 1.00 0.00 N ATOM 961 CA THR A 64 7.249 -1.521 -4.878 1.00 0.00 C ATOM 962 C THR A 64 7.905 -0.159 -4.649 1.00 0.00 C ATOM 963 O THR A 64 7.312 0.872 -4.901 1.00 0.00 O ATOM 964 CB THR A 64 7.134 -1.792 -6.380 1.00 0.00 C ATOM 965 OG1 THR A 64 6.279 -2.907 -6.594 1.00 0.00 O ATOM 966 CG2 THR A 64 8.521 -2.091 -6.953 1.00 0.00 C ATOM 0 H THR A 64 5.291 -0.724 -4.497 1.00 0.00 H new ATOM 0 HA THR A 64 7.858 -2.301 -4.420 1.00 0.00 H new ATOM 0 HB THR A 64 6.719 -0.916 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.203 -3.081 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.439 -2.284 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.175 -1.235 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.938 -2.967 -6.457 1.00 0.00 H new ATOM 974 N GLY A 65 9.119 -0.139 -4.163 1.00 0.00 N ATOM 975 CA GLY A 65 9.816 1.151 -3.902 1.00 0.00 C ATOM 976 C GLY A 65 11.004 0.891 -2.967 1.00 0.00 C ATOM 977 O GLY A 65 11.324 -0.241 -2.661 1.00 0.00 O ATOM 0 H GLY A 65 9.661 -0.972 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.162 1.589 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.129 1.866 -3.450 1.00 0.00 H new ATOM 981 N THR A 66 11.660 1.922 -2.511 1.00 0.00 N ATOM 982 CA THR A 66 12.825 1.719 -1.598 1.00 0.00 C ATOM 983 C THR A 66 12.328 1.298 -0.210 1.00 0.00 C ATOM 984 O THR A 66 11.184 1.494 0.148 1.00 0.00 O ATOM 985 CB THR A 66 13.634 3.013 -1.491 1.00 0.00 C ATOM 986 OG1 THR A 66 12.749 4.112 -1.325 1.00 0.00 O ATOM 987 CG2 THR A 66 14.459 3.206 -2.764 1.00 0.00 C ATOM 0 H THR A 66 11.442 2.894 -2.729 1.00 0.00 H new ATOM 0 HA THR A 66 13.464 0.934 -2.002 1.00 0.00 H new ATOM 0 HB THR A 66 14.303 2.954 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.887 4.756 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.035 4.128 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.138 2.363 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.792 3.265 -3.624 1.00 0.00 H new ATOM 995 N GLN A 67 13.201 0.707 0.565 1.00 0.00 N ATOM 996 CA GLN A 67 12.834 0.241 1.937 1.00 0.00 C ATOM 997 C GLN A 67 12.043 1.319 2.674 1.00 0.00 C ATOM 998 O GLN A 67 11.011 1.058 3.259 1.00 0.00 O ATOM 999 CB GLN A 67 14.118 -0.052 2.723 1.00 0.00 C ATOM 1000 CG GLN A 67 13.784 -0.813 4.008 1.00 0.00 C ATOM 1001 CD GLN A 67 13.272 -2.212 3.668 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.993 -2.393 3.490 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 14.040 -3.146 3.563 1.00 0.00 N flip ATOM 0 H GLN A 67 14.169 0.525 0.301 1.00 0.00 H new ATOM 0 HA GLN A 67 12.221 -0.656 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.803 -0.639 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.627 0.881 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.670 -0.884 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.030 -0.269 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.040 -3.002 3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.685 -4.075 3.335 1.00 0.00 H new ATOM 1012 N ASP A 68 12.529 2.524 2.662 1.00 0.00 N ATOM 1013 CA ASP A 68 11.818 3.619 3.377 1.00 0.00 C ATOM 1014 C ASP A 68 10.497 3.928 2.675 1.00 0.00 C ATOM 1015 O ASP A 68 9.474 4.080 3.313 1.00 0.00 O ATOM 1016 CB ASP A 68 12.695 4.872 3.401 1.00 0.00 C ATOM 1017 CG ASP A 68 14.024 4.554 4.088 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.712 3.663 3.620 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.331 5.209 5.071 1.00 0.00 O ATOM 0 H ASP A 68 13.389 2.801 2.188 1.00 0.00 H new ATOM 0 HA ASP A 68 11.612 3.303 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.874 5.223 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.184 5.676 3.930 1.00 0.00 H new ATOM 1024 N GLN A 69 10.497 4.034 1.377 1.00 0.00 N ATOM 1025 CA GLN A 69 9.226 4.346 0.671 1.00 0.00 C ATOM 1026 C GLN A 69 8.188 3.267 0.992 1.00 0.00 C ATOM 1027 O GLN A 69 7.012 3.538 1.130 1.00 0.00 O ATOM 1028 CB GLN A 69 9.470 4.386 -0.840 1.00 0.00 C ATOM 1029 CG GLN A 69 10.271 5.639 -1.197 1.00 0.00 C ATOM 1030 CD GLN A 69 10.710 5.562 -2.661 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.870 5.754 -2.970 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.827 5.286 -3.580 1.00 0.00 N ATOM 0 H GLN A 69 11.315 3.919 0.779 1.00 0.00 H new ATOM 0 HA GLN A 69 8.858 5.317 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.011 3.494 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.519 4.386 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.665 6.530 -1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.143 5.724 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.854 5.125 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.109 5.231 -4.559 1.00 0.00 H new ATOM 1041 N ILE A 70 8.625 2.039 1.115 1.00 0.00 N ATOM 1042 CA ILE A 70 7.686 0.924 1.429 1.00 0.00 C ATOM 1043 C ILE A 70 7.218 1.019 2.884 1.00 0.00 C ATOM 1044 O ILE A 70 6.044 0.884 3.168 1.00 0.00 O ATOM 1045 CB ILE A 70 8.401 -0.420 1.216 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.644 -0.635 -0.281 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.534 -1.565 1.759 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.562 -1.843 -0.487 1.00 0.00 C ATOM 0 H ILE A 70 9.601 1.761 1.010 1.00 0.00 H new ATOM 0 HA ILE A 70 6.821 0.995 0.770 1.00 0.00 H new ATOM 0 HB ILE A 70 9.353 -0.407 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.696 -0.795 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.096 0.256 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.047 -2.514 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.360 -1.416 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.579 -1.579 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.733 -1.993 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.515 -1.665 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.093 -2.732 -0.066 1.00 0.00 H new ATOM 1060 N GLN A 71 8.107 1.252 3.815 1.00 0.00 N ATOM 1061 CA GLN A 71 7.696 1.357 5.240 1.00 0.00 C ATOM 1062 C GLN A 71 6.708 2.512 5.397 1.00 0.00 C ATOM 1063 O GLN A 71 5.710 2.400 6.081 1.00 0.00 O ATOM 1064 CB GLN A 71 8.935 1.627 6.095 1.00 0.00 C ATOM 1065 CG GLN A 71 8.572 1.510 7.576 1.00 0.00 C ATOM 1066 CD GLN A 71 8.288 0.047 7.920 1.00 0.00 C ATOM 1067 OE1 GLN A 71 9.021 -0.892 7.387 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 7.388 -0.245 8.683 1.00 0.00 N flip ATOM 0 H GLN A 71 9.105 1.374 3.644 1.00 0.00 H new ATOM 0 HA GLN A 71 7.222 0.429 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.723 0.916 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.325 2.622 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.388 1.887 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.698 2.122 7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.815 0.488 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.206 -1.223 8.906 1.00 0.00 H new ATOM 1077 N ASN A 72 6.976 3.623 4.767 1.00 0.00 N ATOM 1078 CA ASN A 72 6.048 4.782 4.879 1.00 0.00 C ATOM 1079 C ASN A 72 4.695 4.381 4.298 1.00 0.00 C ATOM 1080 O ASN A 72 3.654 4.774 4.785 1.00 0.00 O ATOM 1081 CB ASN A 72 6.617 5.969 4.098 1.00 0.00 C ATOM 1082 CG ASN A 72 7.905 6.452 4.768 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.706 5.655 5.215 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.140 7.732 4.857 1.00 0.00 N ATOM 0 H ASN A 72 7.796 3.777 4.181 1.00 0.00 H new ATOM 0 HA ASN A 72 5.931 5.069 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.818 5.677 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.887 6.778 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.996 8.064 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.468 8.401 4.482 1.00 0.00 H new ATOM 1091 N ALA A 73 4.707 3.599 3.254 1.00 0.00 N ATOM 1092 CA ALA A 73 3.431 3.164 2.629 1.00 0.00 C ATOM 1093 C ALA A 73 2.760 2.114 3.517 1.00 0.00 C ATOM 1094 O ALA A 73 1.572 2.166 3.769 1.00 0.00 O ATOM 1095 CB ALA A 73 3.725 2.562 1.254 1.00 0.00 C ATOM 0 H ALA A 73 5.551 3.242 2.806 1.00 0.00 H new ATOM 0 HA ALA A 73 2.765 4.020 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.792 2.241 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.204 3.311 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.388 1.704 1.367 1.00 0.00 H new ATOM 1101 N GLN A 74 3.512 1.156 3.990 1.00 0.00 N ATOM 1102 CA GLN A 74 2.928 0.094 4.857 1.00 0.00 C ATOM 1103 C GLN A 74 2.286 0.720 6.097 1.00 0.00 C ATOM 1104 O GLN A 74 1.194 0.357 6.488 1.00 0.00 O ATOM 1105 CB GLN A 74 4.034 -0.868 5.295 1.00 0.00 C ATOM 1106 CG GLN A 74 4.447 -1.749 4.113 1.00 0.00 C ATOM 1107 CD GLN A 74 5.560 -2.703 4.552 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.644 -2.274 4.892 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.336 -3.988 4.558 1.00 0.00 N ATOM 0 H GLN A 74 4.512 1.064 3.811 1.00 0.00 H new ATOM 0 HA GLN A 74 2.167 -0.446 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.894 -0.307 5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.684 -1.489 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.589 -2.316 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.791 -1.128 3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.425 -4.348 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.071 -4.633 4.848 1.00 0.00 H new ATOM 1118 N TYR A 75 2.953 1.646 6.728 1.00 0.00 N ATOM 1119 CA TYR A 75 2.370 2.273 7.948 1.00 0.00 C ATOM 1120 C TYR A 75 1.084 3.019 7.587 1.00 0.00 C ATOM 1121 O TYR A 75 0.146 3.052 8.358 1.00 0.00 O ATOM 1122 CB TYR A 75 3.379 3.241 8.569 1.00 0.00 C ATOM 1123 CG TYR A 75 2.876 3.699 9.918 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.202 2.972 11.069 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.083 4.848 10.016 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.736 3.397 12.319 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.617 5.272 11.266 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.943 4.547 12.418 1.00 0.00 C ATOM 1129 OH TYR A 75 1.483 4.965 13.650 1.00 0.00 O ATOM 0 H TYR A 75 3.872 1.995 6.454 1.00 0.00 H new ATOM 0 HA TYR A 75 2.136 1.492 8.672 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.348 2.753 8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.526 4.099 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.812 2.084 10.993 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.831 5.407 9.127 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.988 2.837 13.208 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.006 6.159 11.342 1.00 0.00 H new ATOM 0 HH TYR A 75 0.949 5.779 13.541 1.00 0.00 H new ATOM 1139 N LEU A 76 1.019 3.615 6.427 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.227 4.343 6.051 1.00 0.00 C ATOM 1141 C LEU A 76 -1.321 3.322 5.721 1.00 0.00 C ATOM 1142 O LEU A 76 -2.492 3.644 5.690 1.00 0.00 O ATOM 1143 CB LEU A 76 0.027 5.251 4.842 1.00 0.00 C ATOM 1144 CG LEU A 76 1.025 6.364 5.211 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.659 6.930 3.937 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.306 7.500 5.952 1.00 0.00 C ATOM 0 H LEU A 76 1.765 3.630 5.731 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.546 4.967 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.418 4.662 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.912 5.691 4.506 1.00 0.00 H new ATOM 0 HG LEU A 76 1.795 5.940 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.365 7.718 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.184 6.135 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.880 7.341 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.024 8.280 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.471 7.917 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.146 7.111 6.864 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.953 2.088 5.499 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.978 1.048 5.198 1.00 0.00 C ATOM 1160 C LEU A 77 -2.552 0.537 6.524 1.00 0.00 C ATOM 1161 O LEU A 77 -3.749 0.399 6.686 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.329 -0.118 4.426 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.259 0.209 2.920 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.289 -0.764 2.238 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.650 0.079 2.265 1.00 0.00 C ATOM 0 H LEU A 77 0.011 1.756 5.513 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.773 1.473 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.327 -0.305 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.905 -1.030 4.580 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.912 1.236 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.235 -0.538 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.701 -0.661 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.643 -1.786 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.576 0.314 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.015 -0.941 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.343 0.772 2.742 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.699 0.255 7.472 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.168 -0.249 8.794 1.00 0.00 C ATOM 1179 C GLN A 78 -3.045 0.805 9.480 1.00 0.00 C ATOM 1180 O GLN A 78 -4.023 0.484 10.126 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.951 -0.543 9.676 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.409 -1.219 10.971 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.184 -1.654 11.779 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.862 -2.123 11.155 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 -0.179 -1.564 12.991 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.687 0.354 7.385 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.753 -1.157 8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.251 -1.188 9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.422 0.382 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.019 -0.532 11.557 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.033 -2.083 10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.997 -1.197 13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.643 -1.855 13.521 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.699 2.062 9.355 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.521 3.120 10.014 1.00 0.00 C ATOM 1196 C ASN A 79 -4.781 3.386 9.189 1.00 0.00 C ATOM 1197 O ASN A 79 -5.771 3.855 9.713 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.709 4.405 10.192 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.538 5.429 10.969 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.200 6.262 10.383 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.529 5.403 12.274 1.00 0.00 N ATOM 0 H ASN A 79 -1.891 2.398 8.831 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.815 2.771 11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.783 4.191 10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.431 4.810 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.078 6.082 12.801 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.973 4.704 12.766 1.00 0.00 H new ATOM 1208 N SER A 80 -4.783 3.095 7.917 1.00 0.00 N ATOM 1209 CA SER A 80 -6.027 3.358 7.143 1.00 0.00 C ATOM 1210 C SER A 80 -7.113 2.428 7.692 1.00 0.00 C ATOM 1211 O SER A 80 -8.275 2.779 7.755 1.00 0.00 O ATOM 1212 CB SER A 80 -5.798 3.098 5.651 1.00 0.00 C ATOM 1213 OG SER A 80 -6.909 3.592 4.914 1.00 0.00 O ATOM 0 H SER A 80 -4.003 2.699 7.393 1.00 0.00 H new ATOM 0 HA SER A 80 -6.329 4.400 7.248 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.881 3.587 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.673 2.030 5.471 1.00 0.00 H new ATOM 0 HG SER A 80 -6.766 3.429 3.958 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.733 1.238 8.081 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.716 0.251 8.625 1.00 0.00 C ATOM 1221 C VAL A 81 -8.692 0.947 9.574 1.00 0.00 C ATOM 1222 O VAL A 81 -9.893 0.846 9.419 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.964 -0.843 9.391 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.945 -1.942 9.803 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.877 -1.443 8.498 1.00 0.00 C ATOM 0 H VAL A 81 -5.770 0.903 8.044 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.273 -0.188 7.797 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.504 -0.410 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.411 -2.721 10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.719 -1.518 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.404 -2.372 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.344 -2.220 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.335 -1.875 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.176 -0.662 8.203 1.00 0.00 H new