USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 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 67 GLN :FLIP amide:sc= -2.91! C(o=-5.8!,f=-2.9!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc=-0.00396 F(o=-3.8,f=-2.9) 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+ 159:sc= -0.189 (180deg=-1.17!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -1.3 (180deg=-2) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0443 (180deg=-0.474) USER MOD Single : A 38 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 41 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.45) USER MOD Single : A 43 SER OG : rot -81:sc= 1.33 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.0437 (180deg=-0.456) 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 66 THR OG1 : rot 121:sc= -0.109 USER MOD Single : A 69 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.4!) USER MOD Single : A 72 ASN : amide:sc= -0.64 K(o=-0.64,f=-4.8!) USER MOD Single : A 74 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.9) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : A 80 SER OG : rot 82:sc= 0.417! USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.646 -1.918 -5.404 1.00 0.00 N ATOM 148 CA ILE A 13 14.152 -1.857 -5.316 1.00 0.00 C ATOM 149 C ILE A 13 13.659 -3.167 -4.685 1.00 0.00 C ATOM 150 O ILE A 13 14.176 -4.230 -4.963 1.00 0.00 O ATOM 151 CB ILE A 13 13.573 -1.664 -6.750 1.00 0.00 C ATOM 152 CG1 ILE A 13 13.343 -0.174 -7.034 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.236 -2.384 -6.924 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.679 0.548 -7.063 1.00 0.00 C ATOM 0 HA ILE A 13 13.821 -1.021 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 13 14.302 -2.084 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.830 -0.050 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.700 0.258 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.866 -2.225 -7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 13 12.372 -3.452 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.515 -1.990 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.516 1.607 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.175 0.434 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.306 0.122 -7.846 1.00 0.00 H new ATOM 166 N ILE A 14 12.681 -3.088 -3.820 1.00 0.00 N ATOM 167 CA ILE A 14 12.155 -4.310 -3.133 1.00 0.00 C ATOM 168 C ILE A 14 10.658 -4.436 -3.402 1.00 0.00 C ATOM 169 O ILE A 14 9.970 -3.448 -3.572 1.00 0.00 O ATOM 170 CB ILE A 14 12.385 -4.145 -1.627 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.884 -3.964 -1.366 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.887 -5.384 -0.877 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.109 -3.585 0.097 1.00 0.00 C ATOM 0 H ILE A 14 12.218 -2.219 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 14 12.663 -5.201 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 14 11.835 -3.272 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.418 -4.885 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.286 -3.189 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.056 -5.255 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.821 -5.518 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.429 -6.263 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.176 -3.457 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.589 -2.652 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.723 -4.375 0.741 1.00 0.00 H new ATOM 185 N THR A 15 10.137 -5.638 -3.418 1.00 0.00 N ATOM 186 CA THR A 15 8.677 -5.847 -3.646 1.00 0.00 C ATOM 187 C THR A 15 8.139 -6.709 -2.506 1.00 0.00 C ATOM 188 O THR A 15 8.746 -7.683 -2.107 1.00 0.00 O ATOM 189 CB THR A 15 8.460 -6.569 -4.977 1.00 0.00 C ATOM 190 OG1 THR A 15 9.294 -5.994 -5.973 1.00 0.00 O ATOM 191 CG2 THR A 15 6.996 -6.443 -5.395 1.00 0.00 C ATOM 0 H THR A 15 10.672 -6.495 -3.280 1.00 0.00 H new ATOM 0 HA THR A 15 8.159 -4.888 -3.677 1.00 0.00 H new ATOM 0 HB THR A 15 8.712 -7.623 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.155 -6.459 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.843 -6.958 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.360 -6.891 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.739 -5.390 -5.508 1.00 0.00 H new ATOM 199 N THR A 16 7.003 -6.353 -1.981 1.00 0.00 N ATOM 200 CA THR A 16 6.395 -7.134 -0.861 1.00 0.00 C ATOM 201 C THR A 16 4.888 -7.225 -1.095 1.00 0.00 C ATOM 202 O THR A 16 4.295 -6.299 -1.614 1.00 0.00 O ATOM 203 CB THR A 16 6.672 -6.418 0.469 1.00 0.00 C ATOM 204 OG1 THR A 16 6.014 -7.108 1.522 1.00 0.00 O ATOM 205 CG2 THR A 16 6.161 -4.977 0.402 1.00 0.00 C ATOM 0 H THR A 16 6.459 -5.544 -2.281 1.00 0.00 H new ATOM 0 HA THR A 16 6.825 -8.135 -0.822 1.00 0.00 H new ATOM 0 HB THR A 16 7.746 -6.407 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.191 -6.653 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.361 -4.476 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.670 -4.448 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.088 -4.980 0.213 1.00 0.00 H new ATOM 213 N GLN A 17 4.254 -8.319 -0.729 1.00 0.00 N ATOM 214 CA GLN A 17 2.770 -8.436 -0.955 1.00 0.00 C ATOM 215 C GLN A 17 2.034 -8.391 0.384 1.00 0.00 C ATOM 216 O GLN A 17 2.519 -8.872 1.389 1.00 0.00 O ATOM 217 CB GLN A 17 2.453 -9.749 -1.674 1.00 0.00 C ATOM 218 CG GLN A 17 3.030 -9.713 -3.091 1.00 0.00 C ATOM 219 CD GLN A 17 2.898 -11.096 -3.732 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.803 -11.903 -3.653 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.801 -11.407 -4.367 1.00 0.00 N ATOM 0 H GLN A 17 4.693 -9.128 -0.289 1.00 0.00 H new ATOM 0 HA GLN A 17 2.440 -7.601 -1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.874 -10.589 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.375 -9.902 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.503 -8.971 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.077 -9.413 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.041 -10.730 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.704 -12.327 -4.797 1.00 0.00 H new ATOM 230 N VAL A 18 0.861 -7.801 0.398 1.00 0.00 N ATOM 231 CA VAL A 18 0.060 -7.689 1.657 1.00 0.00 C ATOM 232 C VAL A 18 -1.326 -8.287 1.412 1.00 0.00 C ATOM 233 O VAL A 18 -1.853 -8.224 0.320 1.00 0.00 O ATOM 234 CB VAL A 18 -0.097 -6.200 2.005 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.498 -6.040 3.474 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.230 -5.479 1.760 1.00 0.00 C ATOM 0 H VAL A 18 0.420 -7.387 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 18 0.557 -8.217 2.471 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.875 -5.768 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.606 -4.981 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.446 -6.549 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.272 -6.476 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.121 -4.423 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.005 -5.920 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.511 -5.580 0.712 1.00 0.00 H new ATOM 246 N THR A 19 -1.921 -8.855 2.428 1.00 0.00 N ATOM 247 CA THR A 19 -3.286 -9.458 2.290 1.00 0.00 C ATOM 248 C THR A 19 -4.208 -8.783 3.310 1.00 0.00 C ATOM 249 O THR A 19 -3.878 -8.672 4.474 1.00 0.00 O ATOM 250 CB THR A 19 -3.206 -10.965 2.565 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.048 -11.497 1.936 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.450 -11.658 2.009 1.00 0.00 C ATOM 0 H THR A 19 -1.516 -8.929 3.361 1.00 0.00 H new ATOM 0 HA THR A 19 -3.674 -9.308 1.283 1.00 0.00 H new ATOM 0 HB THR A 19 -3.150 -11.134 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.993 -12.460 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.389 -12.728 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.339 -11.250 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.510 -11.490 0.934 1.00 0.00 H new ATOM 260 N ILE A 20 -5.354 -8.318 2.874 1.00 0.00 N ATOM 261 CA ILE A 20 -6.316 -7.627 3.800 1.00 0.00 C ATOM 262 C ILE A 20 -7.699 -8.309 3.682 1.00 0.00 C ATOM 263 O ILE A 20 -8.114 -8.637 2.588 1.00 0.00 O ATOM 264 CB ILE A 20 -6.450 -6.133 3.367 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.906 -5.939 1.939 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.660 -5.223 4.322 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.073 -4.477 1.497 1.00 0.00 C ATOM 0 H ILE A 20 -5.670 -8.387 1.907 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.956 -7.687 4.827 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.507 -5.868 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.853 -6.219 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.434 -6.597 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.764 -4.185 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.048 -5.334 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.607 -5.504 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.684 -4.356 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.130 -4.210 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.524 -3.826 2.177 1.00 0.00 H new ATOM 279 N PRO A 21 -8.435 -8.498 4.758 1.00 0.00 N ATOM 280 CA PRO A 21 -9.784 -9.114 4.631 1.00 0.00 C ATOM 281 C PRO A 21 -10.682 -8.280 3.699 1.00 0.00 C ATOM 282 O PRO A 21 -10.586 -7.070 3.657 1.00 0.00 O ATOM 283 CB PRO A 21 -10.304 -9.118 6.084 1.00 0.00 C ATOM 284 CG PRO A 21 -9.233 -8.474 6.990 1.00 0.00 C ATOM 285 CD PRO A 21 -7.999 -8.132 6.135 1.00 0.00 C ATOM 0 HA PRO A 21 -9.770 -10.111 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.241 -8.565 6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.512 -10.137 6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.628 -7.573 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.958 -9.157 7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.737 -7.077 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.122 -8.701 6.446 1.00 0.00 H new ATOM 293 N LYS A 22 -11.523 -8.912 2.931 1.00 0.00 N ATOM 294 CA LYS A 22 -12.383 -8.156 1.986 1.00 0.00 C ATOM 295 C LYS A 22 -13.102 -6.996 2.690 1.00 0.00 C ATOM 296 O LYS A 22 -13.237 -5.921 2.139 1.00 0.00 O ATOM 297 CB LYS A 22 -13.412 -9.112 1.380 1.00 0.00 C ATOM 298 CG LYS A 22 -14.318 -8.340 0.426 1.00 0.00 C ATOM 299 CD LYS A 22 -15.158 -9.317 -0.407 1.00 0.00 C ATOM 300 CE LYS A 22 -16.245 -9.963 0.461 1.00 0.00 C ATOM 301 NZ LYS A 22 -16.994 -8.910 1.203 1.00 0.00 N ATOM 0 H LYS A 22 -11.651 -9.924 2.918 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.754 -7.732 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.907 -9.918 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.005 -9.574 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.972 -7.675 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.717 -7.712 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.617 -8.790 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.516 -10.089 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.929 -10.536 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.793 -10.663 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.920 -9.283 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.453 -8.627 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.133 -8.084 0.587 1.00 0.00 H new ATOM 315 N ASP A 23 -13.593 -7.199 3.884 1.00 0.00 N ATOM 316 CA ASP A 23 -14.327 -6.100 4.583 1.00 0.00 C ATOM 317 C ASP A 23 -13.410 -4.892 4.831 1.00 0.00 C ATOM 318 O ASP A 23 -13.767 -3.756 4.558 1.00 0.00 O ATOM 319 CB ASP A 23 -14.888 -6.616 5.911 1.00 0.00 C ATOM 320 CG ASP A 23 -13.840 -7.490 6.602 1.00 0.00 C ATOM 321 OD1 ASP A 23 -13.619 -8.595 6.136 1.00 0.00 O ATOM 322 OD2 ASP A 23 -13.277 -7.040 7.586 1.00 0.00 O ATOM 0 H ASP A 23 -13.519 -8.073 4.404 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.148 -5.774 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.159 -5.778 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.797 -7.190 5.735 1.00 0.00 H new ATOM 327 N LEU A 24 -12.218 -5.114 5.307 1.00 0.00 N ATOM 328 CA LEU A 24 -11.282 -3.984 5.540 1.00 0.00 C ATOM 329 C LEU A 24 -10.706 -3.545 4.198 1.00 0.00 C ATOM 330 O LEU A 24 -10.273 -2.423 4.028 1.00 0.00 O ATOM 331 CB LEU A 24 -10.132 -4.433 6.453 1.00 0.00 C ATOM 332 CG LEU A 24 -10.669 -4.951 7.802 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.487 -5.223 8.752 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.610 -3.912 8.442 1.00 0.00 C ATOM 0 H LEU A 24 -11.851 -6.035 5.546 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.816 -3.161 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.557 -5.217 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.452 -3.599 6.624 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.226 -5.872 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.864 -5.589 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.830 -5.972 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.929 -4.300 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.980 -4.294 9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.065 -2.983 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.451 -3.723 7.775 1.00 0.00 H new ATOM 346 N ALA A 25 -10.691 -4.434 3.242 1.00 0.00 N ATOM 347 CA ALA A 25 -10.140 -4.096 1.907 1.00 0.00 C ATOM 348 C ALA A 25 -10.948 -2.966 1.285 1.00 0.00 C ATOM 349 O ALA A 25 -10.422 -2.089 0.633 1.00 0.00 O ATOM 350 CB ALA A 25 -10.251 -5.317 0.997 1.00 0.00 C ATOM 0 H ALA A 25 -11.041 -5.388 3.334 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.099 -3.792 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.848 -5.076 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.687 -6.144 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.298 -5.604 0.899 1.00 0.00 H new ATOM 356 N ARG A 26 -12.241 -3.001 1.468 1.00 0.00 N ATOM 357 CA ARG A 26 -13.103 -1.950 0.869 1.00 0.00 C ATOM 358 C ARG A 26 -12.935 -0.652 1.650 1.00 0.00 C ATOM 359 O ARG A 26 -12.994 0.423 1.087 1.00 0.00 O ATOM 360 CB ARG A 26 -14.567 -2.394 0.887 1.00 0.00 C ATOM 361 CG ARG A 26 -14.732 -3.638 0.012 1.00 0.00 C ATOM 362 CD ARG A 26 -16.161 -4.166 0.143 1.00 0.00 C ATOM 363 NE ARG A 26 -17.123 -3.080 -0.197 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.371 -3.368 -0.444 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.778 -4.607 -0.391 1.00 0.00 N ATOM 366 NH2 ARG A 26 -19.213 -2.417 -0.744 1.00 0.00 N ATOM 0 H ARG A 26 -12.734 -3.713 2.007 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.806 -1.787 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.880 -2.610 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.207 -1.591 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.516 -3.395 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.020 -4.406 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.308 -5.018 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.338 -4.519 1.159 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.806 -2.111 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.120 -5.350 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.754 -4.832 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.895 -1.449 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.189 -2.642 -0.937 1.00 0.00 H new ATOM 380 N SER A 27 -12.718 -0.722 2.936 1.00 0.00 N ATOM 381 CA SER A 27 -12.542 0.537 3.709 1.00 0.00 C ATOM 382 C SER A 27 -11.226 1.204 3.296 1.00 0.00 C ATOM 383 O SER A 27 -11.100 2.412 3.315 1.00 0.00 O ATOM 384 CB SER A 27 -12.494 0.221 5.204 1.00 0.00 C ATOM 385 OG SER A 27 -12.677 1.423 5.942 1.00 0.00 O ATOM 0 H SER A 27 -12.656 -1.584 3.477 1.00 0.00 H new ATOM 0 HA SER A 27 -13.378 1.206 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.271 -0.499 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.538 -0.236 5.461 1.00 0.00 H new ATOM 0 HG SER A 27 -12.649 1.225 6.901 1.00 0.00 H new ATOM 391 N ILE A 28 -10.221 0.421 2.976 1.00 0.00 N ATOM 392 CA ILE A 28 -8.898 1.010 2.629 1.00 0.00 C ATOM 393 C ILE A 28 -8.905 1.574 1.205 1.00 0.00 C ATOM 394 O ILE A 28 -8.408 2.652 0.951 1.00 0.00 O ATOM 395 CB ILE A 28 -7.832 -0.087 2.736 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.664 -0.503 4.200 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.500 0.430 2.196 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.920 -1.838 4.261 1.00 0.00 C ATOM 0 H ILE A 28 -10.265 -0.597 2.942 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.681 1.826 3.318 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.148 -0.949 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.111 0.261 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.639 -0.594 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.747 -0.354 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.618 0.717 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.184 1.297 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.798 -2.139 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.492 -2.598 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.940 -1.730 3.797 1.00 0.00 H new ATOM 410 N ILE A 29 -9.444 0.838 0.275 1.00 0.00 N ATOM 411 CA ILE A 29 -9.450 1.332 -1.133 1.00 0.00 C ATOM 412 C ILE A 29 -10.378 2.541 -1.254 1.00 0.00 C ATOM 413 O ILE A 29 -10.114 3.454 -2.006 1.00 0.00 O ATOM 414 CB ILE A 29 -9.912 0.214 -2.077 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.019 -1.025 -1.900 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.818 0.697 -3.528 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.708 -2.241 -2.523 1.00 0.00 C ATOM 0 H ILE A 29 -9.876 -0.074 0.423 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.440 1.632 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.944 -0.046 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.051 -0.860 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.830 -1.203 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.146 -0.098 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.455 1.571 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.786 0.961 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.076 -3.121 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.665 -2.409 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.874 -2.061 -3.585 1.00 0.00 H new ATOM 429 N GLY A 30 -11.472 2.567 -0.546 1.00 0.00 N ATOM 430 CA GLY A 30 -12.405 3.727 -0.666 1.00 0.00 C ATOM 431 C GLY A 30 -13.401 3.433 -1.788 1.00 0.00 C ATOM 432 O GLY A 30 -13.443 2.339 -2.317 1.00 0.00 O ATOM 0 H GLY A 30 -11.762 1.840 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.931 3.889 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.849 4.640 -0.882 1.00 0.00 H new ATOM 436 N LYS A 31 -14.206 4.392 -2.163 1.00 0.00 N ATOM 437 CA LYS A 31 -15.199 4.150 -3.256 1.00 0.00 C ATOM 438 C LYS A 31 -14.591 4.538 -4.606 1.00 0.00 C ATOM 439 O LYS A 31 -15.223 4.418 -5.637 1.00 0.00 O ATOM 440 CB LYS A 31 -16.445 4.995 -3.002 1.00 0.00 C ATOM 441 CG LYS A 31 -17.154 4.501 -1.738 1.00 0.00 C ATOM 442 CD LYS A 31 -18.563 5.092 -1.675 1.00 0.00 C ATOM 443 CE LYS A 31 -18.485 6.617 -1.759 1.00 0.00 C ATOM 444 NZ LYS A 31 -17.351 7.103 -0.922 1.00 0.00 N ATOM 0 H LYS A 31 -14.221 5.330 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.466 3.093 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.169 6.043 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.119 4.933 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.205 3.412 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.587 4.792 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.168 4.703 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.052 4.793 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.346 6.928 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.420 7.059 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.584 8.038 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.183 6.435 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.494 7.175 -1.507 1.00 0.00 H new ATOM 458 N GLY A 32 -13.373 5.007 -4.611 1.00 0.00 N ATOM 459 CA GLY A 32 -12.731 5.408 -5.898 1.00 0.00 C ATOM 460 C GLY A 32 -11.214 5.285 -5.774 1.00 0.00 C ATOM 461 O GLY A 32 -10.479 5.879 -6.536 1.00 0.00 O ATOM 0 H GLY A 32 -12.794 5.130 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.092 4.775 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.004 6.433 -6.148 1.00 0.00 H new ATOM 465 N GLY A 33 -10.729 4.541 -4.822 1.00 0.00 N ATOM 466 CA GLY A 33 -9.252 4.426 -4.673 1.00 0.00 C ATOM 467 C GLY A 33 -8.717 5.735 -4.090 1.00 0.00 C ATOM 468 O GLY A 33 -7.565 5.826 -3.713 1.00 0.00 O ATOM 0 H GLY A 33 -11.283 4.013 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.002 3.590 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.789 4.225 -5.639 1.00 0.00 H new ATOM 472 N GLN A 34 -9.543 6.757 -4.054 1.00 0.00 N ATOM 473 CA GLN A 34 -9.108 8.097 -3.535 1.00 0.00 C ATOM 474 C GLN A 34 -8.104 7.947 -2.386 1.00 0.00 C ATOM 475 O GLN A 34 -7.243 8.783 -2.202 1.00 0.00 O ATOM 476 CB GLN A 34 -10.340 8.829 -3.001 1.00 0.00 C ATOM 477 CG GLN A 34 -10.977 8.011 -1.877 1.00 0.00 C ATOM 478 CD GLN A 34 -12.324 8.628 -1.500 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.497 9.915 -1.633 1.00 0.00 O flip ATOM 480 NE2 GLN A 34 -13.230 7.933 -1.083 1.00 0.00 N flip ATOM 0 H GLN A 34 -10.513 6.719 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.633 8.649 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.058 9.815 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.060 8.984 -3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.115 6.978 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.318 7.991 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.095 6.927 -0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.125 8.356 -0.837 1.00 0.00 H new ATOM 489 N ARG A 35 -8.207 6.911 -1.597 1.00 0.00 N ATOM 490 CA ARG A 35 -7.247 6.762 -0.457 1.00 0.00 C ATOM 491 C ARG A 35 -5.946 6.142 -0.962 1.00 0.00 C ATOM 492 O ARG A 35 -4.873 6.471 -0.494 1.00 0.00 O ATOM 493 CB ARG A 35 -7.856 5.858 0.629 1.00 0.00 C ATOM 494 CG ARG A 35 -7.053 5.998 1.937 1.00 0.00 C ATOM 495 CD ARG A 35 -7.489 7.264 2.713 1.00 0.00 C ATOM 496 NE ARG A 35 -6.281 7.983 3.235 1.00 0.00 N ATOM 497 CZ ARG A 35 -5.324 7.343 3.855 1.00 0.00 C ATOM 498 NH1 ARG A 35 -5.454 6.078 4.143 1.00 0.00 N ATOM 499 NH2 ARG A 35 -4.246 7.983 4.223 1.00 0.00 N ATOM 0 H ARG A 35 -8.902 6.170 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.044 7.745 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.897 6.131 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.849 4.820 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.203 5.115 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.988 6.052 1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.061 7.923 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.144 6.987 3.539 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.204 8.992 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.306 5.581 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.703 5.585 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.152 8.980 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.498 7.486 4.707 1.00 0.00 H new ATOM 513 N ILE A 36 -6.018 5.263 -1.922 1.00 0.00 N ATOM 514 CA ILE A 36 -4.767 4.652 -2.454 1.00 0.00 C ATOM 515 C ILE A 36 -4.030 5.697 -3.313 1.00 0.00 C ATOM 516 O ILE A 36 -2.828 5.640 -3.476 1.00 0.00 O ATOM 517 CB ILE A 36 -5.120 3.378 -3.258 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.093 2.145 -2.327 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.146 3.167 -4.427 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.653 1.640 -2.118 1.00 0.00 C ATOM 0 H ILE A 36 -6.882 4.943 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.103 4.354 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.121 3.505 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.535 2.402 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.702 1.349 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.421 2.264 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.193 4.024 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.132 3.063 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.664 0.772 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.222 1.360 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.052 2.430 -1.668 1.00 0.00 H new ATOM 532 N LYS A 37 -4.738 6.653 -3.853 1.00 0.00 N ATOM 533 CA LYS A 37 -4.071 7.694 -4.685 1.00 0.00 C ATOM 534 C LYS A 37 -3.264 8.629 -3.778 1.00 0.00 C ATOM 535 O LYS A 37 -2.126 8.947 -4.059 1.00 0.00 O ATOM 536 CB LYS A 37 -5.132 8.505 -5.432 1.00 0.00 C ATOM 537 CG LYS A 37 -5.972 7.569 -6.300 1.00 0.00 C ATOM 538 CD LYS A 37 -6.919 8.396 -7.169 1.00 0.00 C ATOM 539 CE LYS A 37 -7.886 7.464 -7.899 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.115 6.478 -8.708 1.00 0.00 N ATOM 0 H LYS A 37 -5.748 6.757 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.405 7.215 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.771 9.030 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.655 9.263 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.324 6.958 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.542 6.885 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.474 9.102 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.349 8.983 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.519 6.944 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.547 8.042 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.750 6.018 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.353 6.968 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.703 5.759 -8.079 1.00 0.00 H new ATOM 554 N GLN A 38 -3.845 9.080 -2.699 1.00 0.00 N ATOM 555 CA GLN A 38 -3.106 10.002 -1.788 1.00 0.00 C ATOM 556 C GLN A 38 -1.843 9.316 -1.259 1.00 0.00 C ATOM 557 O GLN A 38 -0.769 9.887 -1.257 1.00 0.00 O ATOM 558 CB GLN A 38 -4.006 10.388 -0.612 1.00 0.00 C ATOM 559 CG GLN A 38 -5.230 11.143 -1.132 1.00 0.00 C ATOM 560 CD GLN A 38 -4.792 12.492 -1.706 1.00 0.00 C ATOM 561 OE1 GLN A 38 -4.866 12.712 -2.899 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.334 13.413 -0.902 1.00 0.00 N ATOM 0 H GLN A 38 -4.796 8.851 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.821 10.897 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.319 9.495 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.454 11.010 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.734 10.556 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.947 11.295 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.271 13.230 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.039 14.315 -1.275 1.00 0.00 H new ATOM 571 N ILE A 39 -1.962 8.102 -0.800 1.00 0.00 N ATOM 572 CA ILE A 39 -0.771 7.385 -0.259 1.00 0.00 C ATOM 573 C ILE A 39 0.325 7.300 -1.327 1.00 0.00 C ATOM 574 O ILE A 39 1.501 7.335 -1.023 1.00 0.00 O ATOM 575 CB ILE A 39 -1.180 5.972 0.161 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.228 6.054 1.274 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.047 5.217 0.673 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.826 4.668 1.514 1.00 0.00 C ATOM 0 H ILE A 39 -2.834 7.573 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.386 7.932 0.602 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.600 5.446 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.772 6.429 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.013 6.758 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.244 4.210 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.795 5.159 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.467 5.743 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.572 4.726 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.297 4.311 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.036 3.977 1.809 1.00 0.00 H new ATOM 590 N ARG A 40 -0.045 7.182 -2.574 1.00 0.00 N ATOM 591 CA ARG A 40 0.988 7.088 -3.648 1.00 0.00 C ATOM 592 C ARG A 40 1.751 8.413 -3.754 1.00 0.00 C ATOM 593 O ARG A 40 2.958 8.433 -3.890 1.00 0.00 O ATOM 594 CB ARG A 40 0.312 6.783 -4.991 1.00 0.00 C ATOM 595 CG ARG A 40 -0.092 5.305 -5.043 1.00 0.00 C ATOM 596 CD ARG A 40 -0.973 5.049 -6.269 1.00 0.00 C ATOM 597 NE ARG A 40 -1.406 3.623 -6.280 1.00 0.00 N ATOM 598 CZ ARG A 40 -2.391 3.247 -7.049 1.00 0.00 C ATOM 599 NH1 ARG A 40 -3.000 4.120 -7.804 1.00 0.00 N ATOM 600 NH2 ARG A 40 -2.768 1.997 -7.064 1.00 0.00 N ATOM 0 H ARG A 40 -1.012 7.147 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 40 1.685 6.288 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.567 7.415 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.992 7.013 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.798 4.677 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.630 5.034 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.844 5.704 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.422 5.280 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.933 2.941 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.706 5.097 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.770 3.826 -8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.293 1.314 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.538 1.704 -7.665 1.00 0.00 H new ATOM 614 N HIS A 41 1.059 9.518 -3.710 1.00 0.00 N ATOM 615 CA HIS A 41 1.751 10.833 -3.825 1.00 0.00 C ATOM 616 C HIS A 41 2.430 11.188 -2.499 1.00 0.00 C ATOM 617 O HIS A 41 3.460 11.830 -2.470 1.00 0.00 O ATOM 618 CB HIS A 41 0.728 11.916 -4.172 1.00 0.00 C ATOM 619 CG HIS A 41 0.011 11.541 -5.440 1.00 0.00 C ATOM 620 ND1 HIS A 41 0.591 10.735 -6.407 1.00 0.00 N ATOM 621 CD2 HIS A 41 -1.239 11.854 -5.915 1.00 0.00 C ATOM 622 CE1 HIS A 41 -0.300 10.592 -7.404 1.00 0.00 C ATOM 623 NE2 HIS A 41 -1.433 11.254 -7.155 1.00 0.00 N ATOM 0 H HIS A 41 0.046 9.568 -3.600 1.00 0.00 H new ATOM 0 HA HIS A 41 2.506 10.770 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.013 12.030 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.227 12.877 -4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.962 12.472 -5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.121 10.012 -8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.262 11.308 -7.747 1.00 0.00 H new ATOM 631 N GLU A 42 1.851 10.790 -1.399 1.00 0.00 N ATOM 632 CA GLU A 42 2.452 11.120 -0.075 1.00 0.00 C ATOM 633 C GLU A 42 3.657 10.217 0.203 1.00 0.00 C ATOM 634 O GLU A 42 4.669 10.660 0.708 1.00 0.00 O ATOM 635 CB GLU A 42 1.398 10.926 1.023 1.00 0.00 C ATOM 636 CG GLU A 42 1.833 11.648 2.304 1.00 0.00 C ATOM 637 CD GLU A 42 3.043 10.935 2.911 1.00 0.00 C ATOM 638 OE1 GLU A 42 2.993 9.722 3.032 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.001 11.614 3.244 1.00 0.00 O ATOM 0 H GLU A 42 0.987 10.250 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 42 2.787 12.157 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.436 11.313 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.262 9.863 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.084 12.685 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.012 11.665 3.020 1.00 0.00 H new ATOM 646 N SER A 43 3.554 8.951 -0.102 1.00 0.00 N ATOM 647 CA SER A 43 4.692 8.023 0.171 1.00 0.00 C ATOM 648 C SER A 43 5.677 8.022 -1.001 1.00 0.00 C ATOM 649 O SER A 43 6.831 7.678 -0.848 1.00 0.00 O ATOM 650 CB SER A 43 4.153 6.608 0.384 1.00 0.00 C ATOM 651 OG SER A 43 3.888 6.012 -0.878 1.00 0.00 O ATOM 0 H SER A 43 2.734 8.519 -0.527 1.00 0.00 H new ATOM 0 HA SER A 43 5.214 8.360 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.877 6.010 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.243 6.639 0.983 1.00 0.00 H new ATOM 0 HG SER A 43 3.021 6.323 -1.211 1.00 0.00 H new ATOM 657 N GLY A 44 5.231 8.381 -2.173 1.00 0.00 N ATOM 658 CA GLY A 44 6.153 8.367 -3.344 1.00 0.00 C ATOM 659 C GLY A 44 6.326 6.917 -3.789 1.00 0.00 C ATOM 660 O GLY A 44 7.055 6.615 -4.714 1.00 0.00 O ATOM 0 H GLY A 44 4.276 8.681 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.747 8.969 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.116 8.801 -3.076 1.00 0.00 H new ATOM 664 N ALA A 45 5.658 6.022 -3.120 1.00 0.00 N ATOM 665 CA ALA A 45 5.760 4.578 -3.462 1.00 0.00 C ATOM 666 C ALA A 45 4.795 4.236 -4.596 1.00 0.00 C ATOM 667 O ALA A 45 3.826 4.927 -4.841 1.00 0.00 O ATOM 668 CB ALA A 45 5.395 3.748 -2.230 1.00 0.00 C ATOM 0 H ALA A 45 5.037 6.233 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 45 6.779 4.356 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.467 2.688 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.082 3.982 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.376 3.982 -1.923 1.00 0.00 H new ATOM 674 N SER A 46 5.038 3.131 -5.250 1.00 0.00 N ATOM 675 CA SER A 46 4.131 2.661 -6.339 1.00 0.00 C ATOM 676 C SER A 46 3.392 1.441 -5.793 1.00 0.00 C ATOM 677 O SER A 46 3.980 0.622 -5.115 1.00 0.00 O ATOM 678 CB SER A 46 4.955 2.258 -7.563 1.00 0.00 C ATOM 679 OG SER A 46 5.736 3.366 -7.993 1.00 0.00 O ATOM 0 H SER A 46 5.839 2.525 -5.073 1.00 0.00 H new ATOM 0 HA SER A 46 3.436 3.445 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.602 1.416 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.296 1.930 -8.367 1.00 0.00 H new ATOM 0 HG SER A 46 6.266 3.108 -8.776 1.00 0.00 H new ATOM 685 N ILE A 47 2.113 1.306 -6.047 1.00 0.00 N ATOM 686 CA ILE A 47 1.353 0.135 -5.506 1.00 0.00 C ATOM 687 C ILE A 47 0.420 -0.421 -6.580 1.00 0.00 C ATOM 688 O ILE A 47 -0.237 0.316 -7.289 1.00 0.00 O ATOM 689 CB ILE A 47 0.528 0.584 -4.287 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.481 0.971 -3.149 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.385 -0.562 -3.821 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.688 1.573 -1.985 1.00 0.00 C ATOM 0 H ILE A 47 1.562 1.957 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 47 2.054 -0.644 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.087 1.441 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.031 0.093 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.217 1.690 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.966 -0.237 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.061 -0.840 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.224 -1.423 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.372 1.845 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.158 2.462 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.031 0.841 -1.617 1.00 0.00 H new ATOM 704 N LYS A 48 0.359 -1.720 -6.703 1.00 0.00 N ATOM 705 CA LYS A 48 -0.518 -2.370 -7.720 1.00 0.00 C ATOM 706 C LYS A 48 -1.468 -3.319 -6.994 1.00 0.00 C ATOM 707 O LYS A 48 -1.041 -4.137 -6.204 1.00 0.00 O ATOM 708 CB LYS A 48 0.356 -3.179 -8.683 1.00 0.00 C ATOM 709 CG LYS A 48 -0.490 -3.668 -9.864 1.00 0.00 C ATOM 710 CD LYS A 48 0.372 -4.517 -10.819 1.00 0.00 C ATOM 711 CE LYS A 48 0.362 -5.985 -10.376 1.00 0.00 C ATOM 712 NZ LYS A 48 -0.984 -6.571 -10.638 1.00 0.00 N ATOM 0 H LYS A 48 0.892 -2.372 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.081 -1.620 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.181 -2.564 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.796 -4.029 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.331 -4.258 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.908 -2.815 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.010 -4.434 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.395 -4.140 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.126 -6.545 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.603 -6.058 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.896 -7.599 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.611 -6.376 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.386 -6.147 -11.499 1.00 0.00 H new ATOM 726 N ILE A 49 -2.750 -3.231 -7.242 1.00 0.00 N ATOM 727 CA ILE A 49 -3.723 -4.133 -6.556 1.00 0.00 C ATOM 728 C ILE A 49 -4.108 -5.257 -7.521 1.00 0.00 C ATOM 729 O ILE A 49 -4.428 -5.013 -8.667 1.00 0.00 O ATOM 730 CB ILE A 49 -4.959 -3.315 -6.168 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.511 -2.105 -5.341 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.916 -4.174 -5.341 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.712 -1.215 -5.025 1.00 0.00 C ATOM 0 H ILE A 49 -3.167 -2.568 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.286 -4.567 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.474 -2.982 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.043 -2.440 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.761 -1.536 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.792 -3.585 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.228 -5.038 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.412 -4.512 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.385 -0.358 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.162 -0.867 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.448 -1.785 -4.457 1.00 0.00 H new ATOM 745 N ASP A 50 -4.080 -6.487 -7.077 1.00 0.00 N ATOM 746 CA ASP A 50 -4.445 -7.621 -7.976 1.00 0.00 C ATOM 747 C ASP A 50 -5.937 -7.910 -7.825 1.00 0.00 C ATOM 748 O ASP A 50 -6.524 -7.646 -6.794 1.00 0.00 O ATOM 749 CB ASP A 50 -3.642 -8.865 -7.580 1.00 0.00 C ATOM 750 CG ASP A 50 -4.078 -9.340 -6.194 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.382 -8.495 -5.369 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.103 -10.542 -5.983 1.00 0.00 O ATOM 0 H ASP A 50 -3.819 -6.755 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.220 -7.361 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.797 -9.658 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.576 -8.636 -7.578 1.00 0.00 H new ATOM 757 N GLU A 51 -6.561 -8.469 -8.825 1.00 0.00 N ATOM 758 CA GLU A 51 -8.008 -8.789 -8.703 1.00 0.00 C ATOM 759 C GLU A 51 -8.174 -9.910 -7.663 1.00 0.00 C ATOM 760 O GLU A 51 -7.297 -10.738 -7.518 1.00 0.00 O ATOM 761 CB GLU A 51 -8.521 -9.277 -10.062 1.00 0.00 C ATOM 762 CG GLU A 51 -8.467 -8.128 -11.072 1.00 0.00 C ATOM 763 CD GLU A 51 -7.008 -7.803 -11.399 1.00 0.00 C ATOM 764 OE1 GLU A 51 -6.318 -8.686 -11.882 1.00 0.00 O ATOM 765 OE2 GLU A 51 -6.606 -6.676 -11.162 1.00 0.00 O ATOM 0 H GLU A 51 -6.132 -8.717 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.570 -7.908 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.915 -10.112 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.543 -9.643 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.002 -8.404 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.964 -7.248 -10.664 1.00 0.00 H new ATOM 772 N PRO A 52 -9.276 -9.964 -6.944 1.00 0.00 N ATOM 773 CA PRO A 52 -9.468 -11.045 -5.936 1.00 0.00 C ATOM 774 C PRO A 52 -9.422 -12.440 -6.582 1.00 0.00 C ATOM 775 O PRO A 52 -9.914 -12.645 -7.675 1.00 0.00 O ATOM 776 CB PRO A 52 -10.866 -10.728 -5.363 1.00 0.00 C ATOM 777 CG PRO A 52 -11.499 -9.618 -6.222 1.00 0.00 C ATOM 778 CD PRO A 52 -10.389 -8.980 -7.074 1.00 0.00 C ATOM 0 HA PRO A 52 -8.686 -11.070 -5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.492 -11.620 -5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.787 -10.406 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.280 -10.030 -6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.970 -8.868 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.697 -8.851 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.106 -7.996 -6.701 1.00 0.00 H new ATOM 853 N ASP A 58 -10.495 -12.369 0.212 1.00 0.00 N ATOM 854 CA ASP A 58 -9.410 -11.430 0.628 1.00 0.00 C ATOM 855 C ASP A 58 -8.890 -10.663 -0.588 1.00 0.00 C ATOM 856 O ASP A 58 -8.988 -11.109 -1.714 1.00 0.00 O ATOM 857 CB ASP A 58 -8.263 -12.235 1.240 1.00 0.00 C ATOM 858 CG ASP A 58 -8.773 -13.008 2.457 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.663 -12.506 3.123 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.264 -14.089 2.704 1.00 0.00 O ATOM 0 HA ASP A 58 -9.804 -10.723 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.856 -12.926 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.453 -11.568 1.533 1.00 0.00 H new ATOM 865 N ARG A 59 -8.309 -9.514 -0.349 1.00 0.00 N ATOM 866 CA ARG A 59 -7.733 -8.683 -1.450 1.00 0.00 C ATOM 867 C ARG A 59 -6.227 -8.594 -1.217 1.00 0.00 C ATOM 868 O ARG A 59 -5.787 -8.408 -0.100 1.00 0.00 O ATOM 869 CB ARG A 59 -8.341 -7.276 -1.395 1.00 0.00 C ATOM 870 CG ARG A 59 -9.830 -7.312 -1.849 1.00 0.00 C ATOM 871 CD ARG A 59 -10.077 -6.318 -2.991 1.00 0.00 C ATOM 872 NE ARG A 59 -9.047 -6.502 -4.052 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.227 -5.974 -5.232 1.00 0.00 C ATOM 874 NH1 ARG A 59 -10.303 -5.278 -5.476 1.00 0.00 N ATOM 875 NH2 ARG A 59 -8.330 -6.139 -6.164 1.00 0.00 N ATOM 0 H ARG A 59 -8.208 -9.109 0.582 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.948 -9.125 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.272 -6.882 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.774 -6.602 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.091 -8.319 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.478 -7.072 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.073 -6.469 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.042 -5.297 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.203 -7.040 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.002 -5.147 -4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.445 -4.865 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.488 -6.681 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.471 -5.726 -7.086 1.00 0.00 H new ATOM 889 N ILE A 60 -5.427 -8.745 -2.245 1.00 0.00 N ATOM 890 CA ILE A 60 -3.939 -8.691 -2.059 1.00 0.00 C ATOM 891 C ILE A 60 -3.369 -7.411 -2.679 1.00 0.00 C ATOM 892 O ILE A 60 -3.868 -6.906 -3.666 1.00 0.00 O ATOM 893 CB ILE A 60 -3.322 -9.926 -2.718 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.692 -11.157 -1.885 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.797 -9.786 -2.764 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.386 -12.421 -2.675 1.00 0.00 C ATOM 0 H ILE A 60 -5.737 -8.903 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.699 -8.682 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.699 -10.028 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.132 -11.157 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.750 -11.127 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.365 -10.669 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.530 -8.900 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.410 -9.689 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.650 -13.295 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.965 -12.422 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.323 -12.453 -2.914 1.00 0.00 H new ATOM 908 N ILE A 61 -2.323 -6.888 -2.090 1.00 0.00 N ATOM 909 CA ILE A 61 -1.698 -5.633 -2.619 1.00 0.00 C ATOM 910 C ILE A 61 -0.184 -5.809 -2.754 1.00 0.00 C ATOM 911 O ILE A 61 0.445 -6.459 -1.946 1.00 0.00 O ATOM 912 CB ILE A 61 -1.980 -4.479 -1.650 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.487 -4.201 -1.636 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.226 -3.222 -2.117 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.795 -3.084 -0.641 1.00 0.00 C ATOM 0 H ILE A 61 -1.872 -7.277 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.122 -5.415 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.645 -4.745 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.823 -3.916 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.031 -5.105 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.426 -2.401 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.155 -3.426 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.562 -2.947 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.867 -2.889 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.474 -3.386 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.264 -2.179 -0.934 1.00 0.00 H new ATOM 927 N THR A 62 0.400 -5.228 -3.775 1.00 0.00 N ATOM 928 CA THR A 62 1.881 -5.346 -3.989 1.00 0.00 C ATOM 929 C THR A 62 2.520 -3.957 -3.895 1.00 0.00 C ATOM 930 O THR A 62 2.146 -3.043 -4.602 1.00 0.00 O ATOM 931 CB THR A 62 2.145 -5.939 -5.379 1.00 0.00 C ATOM 932 OG1 THR A 62 1.505 -7.203 -5.479 1.00 0.00 O ATOM 933 CG2 THR A 62 3.648 -6.110 -5.582 1.00 0.00 C ATOM 0 H THR A 62 -0.089 -4.672 -4.476 1.00 0.00 H new ATOM 0 HA THR A 62 2.312 -5.996 -3.227 1.00 0.00 H new ATOM 0 HB THR A 62 1.751 -5.269 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.670 -7.584 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.836 -6.531 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.139 -5.140 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.044 -6.781 -4.820 1.00 0.00 H new ATOM 941 N ILE A 63 3.481 -3.791 -3.019 1.00 0.00 N ATOM 942 CA ILE A 63 4.157 -2.467 -2.853 1.00 0.00 C ATOM 943 C ILE A 63 5.547 -2.517 -3.492 1.00 0.00 C ATOM 944 O ILE A 63 6.301 -3.440 -3.245 1.00 0.00 O ATOM 945 CB ILE A 63 4.326 -2.187 -1.358 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.979 -2.394 -0.655 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.806 -0.743 -1.159 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.083 -1.955 0.806 1.00 0.00 C ATOM 0 H ILE A 63 3.830 -4.527 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 63 3.558 -1.690 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 63 5.064 -2.867 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.202 -1.821 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.688 -3.443 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.926 -0.543 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.762 -0.604 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.071 -0.055 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.123 -2.104 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.847 -2.547 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.354 -0.900 0.851 1.00 0.00 H new ATOM 960 N THR A 64 5.911 -1.543 -4.291 1.00 0.00 N ATOM 961 CA THR A 64 7.279 -1.553 -4.917 1.00 0.00 C ATOM 962 C THR A 64 7.946 -0.198 -4.683 1.00 0.00 C ATOM 963 O THR A 64 7.358 0.839 -4.917 1.00 0.00 O ATOM 964 CB THR A 64 7.159 -1.809 -6.422 1.00 0.00 C ATOM 965 OG1 THR A 64 6.276 -2.898 -6.646 1.00 0.00 O ATOM 966 CG2 THR A 64 8.538 -2.139 -6.997 1.00 0.00 C ATOM 0 H THR A 64 5.327 -0.744 -4.538 1.00 0.00 H new ATOM 0 HA THR A 64 7.879 -2.344 -4.467 1.00 0.00 H new ATOM 0 HB THR A 64 6.768 -0.918 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.197 -3.062 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.451 -2.321 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.214 -1.301 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.932 -3.030 -6.508 1.00 0.00 H new ATOM 974 N GLY A 65 9.167 -0.189 -4.211 1.00 0.00 N ATOM 975 CA GLY A 65 9.872 1.096 -3.945 1.00 0.00 C ATOM 976 C GLY A 65 11.056 0.829 -3.009 1.00 0.00 C ATOM 977 O GLY A 65 11.373 -0.304 -2.708 1.00 0.00 O ATOM 0 H GLY A 65 9.708 -1.027 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.222 1.534 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.188 1.814 -3.492 1.00 0.00 H new ATOM 981 N THR A 66 11.711 1.857 -2.544 1.00 0.00 N ATOM 982 CA THR A 66 12.869 1.644 -1.625 1.00 0.00 C ATOM 983 C THR A 66 12.359 1.201 -0.249 1.00 0.00 C ATOM 984 O THR A 66 11.209 1.388 0.097 1.00 0.00 O ATOM 985 CB THR A 66 13.676 2.938 -1.495 1.00 0.00 C ATOM 986 OG1 THR A 66 12.788 4.035 -1.330 1.00 0.00 O ATOM 987 CG2 THR A 66 14.517 3.142 -2.756 1.00 0.00 C ATOM 0 H THR A 66 11.497 2.831 -2.758 1.00 0.00 H new ATOM 0 HA THR A 66 13.515 0.867 -2.033 1.00 0.00 H new ATOM 0 HB THR A 66 14.334 2.873 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.977 4.484 -0.479 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.092 4.063 -2.665 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.198 2.300 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.861 3.208 -3.624 1.00 0.00 H new ATOM 995 N GLN A 67 13.219 0.597 0.528 1.00 0.00 N ATOM 996 CA GLN A 67 12.821 0.108 1.882 1.00 0.00 C ATOM 997 C GLN A 67 12.046 1.199 2.631 1.00 0.00 C ATOM 998 O GLN A 67 11.017 0.945 3.223 1.00 0.00 O ATOM 999 CB GLN A 67 14.094 -0.266 2.674 1.00 0.00 C ATOM 1000 CG GLN A 67 13.826 -1.478 3.579 1.00 0.00 C ATOM 1001 CD GLN A 67 12.606 -1.204 4.459 1.00 0.00 C ATOM 1002 OE1 GLN A 67 12.437 -0.015 4.967 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 11.798 -2.083 4.687 1.00 0.00 N flip ATOM 0 H GLN A 67 14.192 0.419 0.279 1.00 0.00 H new ATOM 0 HA GLN A 67 12.179 -0.767 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.906 -0.493 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.417 0.582 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.656 -2.367 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.698 -1.679 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.930 -3.013 4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.988 -1.891 5.276 1.00 0.00 H new ATOM 1012 N ASP A 68 12.542 2.403 2.622 1.00 0.00 N ATOM 1013 CA ASP A 68 11.843 3.497 3.347 1.00 0.00 C ATOM 1014 C ASP A 68 10.518 3.812 2.658 1.00 0.00 C ATOM 1015 O ASP A 68 9.494 3.930 3.300 1.00 0.00 O ATOM 1016 CB ASP A 68 12.723 4.747 3.367 1.00 0.00 C ATOM 1017 CG ASP A 68 13.085 5.138 1.933 1.00 0.00 C ATOM 1018 OD1 ASP A 68 13.747 4.353 1.275 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.691 6.215 1.517 1.00 0.00 O ATOM 0 H ASP A 68 13.401 2.677 2.144 1.00 0.00 H new ATOM 0 HA ASP A 68 11.647 3.178 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.198 5.567 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.629 4.558 3.944 1.00 0.00 H new ATOM 1024 N GLN A 69 10.517 3.960 1.362 1.00 0.00 N ATOM 1025 CA GLN A 69 9.243 4.278 0.664 1.00 0.00 C ATOM 1026 C GLN A 69 8.210 3.194 0.983 1.00 0.00 C ATOM 1027 O GLN A 69 7.032 3.460 1.121 1.00 0.00 O ATOM 1028 CB GLN A 69 9.481 4.327 -0.847 1.00 0.00 C ATOM 1029 CG GLN A 69 10.340 5.545 -1.189 1.00 0.00 C ATOM 1030 CD GLN A 69 9.495 6.814 -1.069 1.00 0.00 C ATOM 1031 OE1 GLN A 69 8.885 7.244 -2.027 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.432 7.434 0.079 1.00 0.00 N ATOM 0 H GLN A 69 11.337 3.875 0.761 1.00 0.00 H new ATOM 0 HA GLN A 69 8.875 5.247 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.977 3.414 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.529 4.381 -1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.196 5.600 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.735 5.452 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.945 7.072 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.870 8.280 0.171 1.00 0.00 H new ATOM 1041 N ILE A 70 8.655 1.969 1.103 1.00 0.00 N ATOM 1042 CA ILE A 70 7.726 0.848 1.414 1.00 0.00 C ATOM 1043 C ILE A 70 7.263 0.931 2.872 1.00 0.00 C ATOM 1044 O ILE A 70 6.092 0.787 3.161 1.00 0.00 O ATOM 1045 CB ILE A 70 8.452 -0.489 1.194 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.706 -0.693 -0.303 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.592 -1.646 1.726 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.633 -1.895 -0.510 1.00 0.00 C ATOM 0 H ILE A 70 9.633 1.698 0.997 1.00 0.00 H new ATOM 0 HA ILE A 70 6.858 0.916 0.758 1.00 0.00 H new ATOM 0 HB ILE A 70 9.402 -0.471 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.762 -0.856 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.155 0.203 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.113 -2.590 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.413 -1.506 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.639 -1.664 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.812 -2.037 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.581 -1.714 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.166 -2.790 -0.098 1.00 0.00 H new ATOM 1060 N GLN A 71 8.159 1.165 3.796 1.00 0.00 N ATOM 1061 CA GLN A 71 7.761 1.260 5.229 1.00 0.00 C ATOM 1062 C GLN A 71 6.779 2.415 5.412 1.00 0.00 C ATOM 1063 O GLN A 71 5.795 2.301 6.116 1.00 0.00 O ATOM 1064 CB GLN A 71 9.009 1.523 6.076 1.00 0.00 C ATOM 1065 CG GLN A 71 8.642 1.481 7.560 1.00 0.00 C ATOM 1066 CD GLN A 71 9.905 1.666 8.403 1.00 0.00 C ATOM 1067 OE1 GLN A 71 11.033 1.156 7.988 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.866 2.280 9.450 1.00 0.00 N flip ATOM 0 H GLN A 71 9.155 1.295 3.616 1.00 0.00 H new ATOM 0 HA GLN A 71 7.288 0.329 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.772 0.776 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.434 2.495 5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.921 2.265 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.167 0.530 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.985 2.679 9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.714 2.397 10.004 1.00 0.00 H new ATOM 1077 N ASN A 72 7.038 3.530 4.784 1.00 0.00 N ATOM 1078 CA ASN A 72 6.120 4.694 4.923 1.00 0.00 C ATOM 1079 C ASN A 72 4.748 4.313 4.369 1.00 0.00 C ATOM 1080 O ASN A 72 3.723 4.713 4.885 1.00 0.00 O ATOM 1081 CB ASN A 72 6.682 5.884 4.143 1.00 0.00 C ATOM 1082 CG ASN A 72 7.980 6.358 4.800 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.779 5.556 5.240 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.225 7.637 4.885 1.00 0.00 N ATOM 0 H ASN A 72 7.846 3.684 4.181 1.00 0.00 H new ATOM 0 HA ASN A 72 6.027 4.969 5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.869 5.598 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.955 6.696 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.088 7.963 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.554 8.310 4.515 1.00 0.00 H new ATOM 1091 N ALA A 73 4.724 3.543 3.318 1.00 0.00 N ATOM 1092 CA ALA A 73 3.424 3.135 2.719 1.00 0.00 C ATOM 1093 C ALA A 73 2.748 2.097 3.617 1.00 0.00 C ATOM 1094 O ALA A 73 1.557 2.147 3.851 1.00 0.00 O ATOM 1095 CB ALA A 73 3.675 2.532 1.336 1.00 0.00 C ATOM 0 H ALA A 73 5.551 3.178 2.847 1.00 0.00 H new ATOM 0 HA ALA A 73 2.775 4.006 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.726 2.231 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.155 3.274 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.323 1.661 1.431 1.00 0.00 H new ATOM 1101 N GLN A 74 3.497 1.150 4.119 1.00 0.00 N ATOM 1102 CA GLN A 74 2.901 0.103 4.995 1.00 0.00 C ATOM 1103 C GLN A 74 2.259 0.750 6.225 1.00 0.00 C ATOM 1104 O GLN A 74 1.138 0.442 6.582 1.00 0.00 O ATOM 1105 CB GLN A 74 3.998 -0.864 5.449 1.00 0.00 C ATOM 1106 CG GLN A 74 4.400 -1.770 4.283 1.00 0.00 C ATOM 1107 CD GLN A 74 5.529 -2.701 4.729 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.640 -2.263 4.954 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.291 -3.976 4.868 1.00 0.00 N ATOM 0 H GLN A 74 4.500 1.058 3.958 1.00 0.00 H new ATOM 0 HA GLN A 74 2.138 -0.438 4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.864 -0.306 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.642 -1.467 6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.542 -2.354 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.724 -1.167 3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.359 -4.344 4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.037 -4.605 5.165 1.00 0.00 H new ATOM 1118 N TYR A 75 2.959 1.629 6.888 1.00 0.00 N ATOM 1119 CA TYR A 75 2.383 2.271 8.103 1.00 0.00 C ATOM 1120 C TYR A 75 1.095 3.018 7.743 1.00 0.00 C ATOM 1121 O TYR A 75 0.156 3.047 8.515 1.00 0.00 O ATOM 1122 CB TYR A 75 3.397 3.243 8.710 1.00 0.00 C ATOM 1123 CG TYR A 75 2.877 3.757 10.032 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.075 4.904 10.072 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.201 3.086 11.219 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.596 5.379 11.298 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.720 3.563 12.445 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.919 4.710 12.484 1.00 0.00 C ATOM 1129 OH TYR A 75 1.446 5.180 13.693 1.00 0.00 O ATOM 0 H TYR A 75 3.902 1.930 6.642 1.00 0.00 H new ATOM 0 HA TYR A 75 2.150 1.497 8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.355 2.743 8.854 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.572 4.075 8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.826 5.422 9.157 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.821 2.202 11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.976 6.263 11.329 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.967 3.046 13.360 1.00 0.00 H new ATOM 0 HH TYR A 75 1.762 4.599 14.416 1.00 0.00 H new ATOM 1139 N LEU A 76 1.027 3.618 6.586 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.221 4.346 6.218 1.00 0.00 C ATOM 1141 C LEU A 76 -1.320 3.329 5.906 1.00 0.00 C ATOM 1142 O LEU A 76 -2.487 3.588 6.109 1.00 0.00 O ATOM 1143 CB LEU A 76 0.025 5.248 5.001 1.00 0.00 C ATOM 1144 CG LEU A 76 1.018 6.370 5.358 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.666 6.910 4.080 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.290 7.518 6.069 1.00 0.00 C ATOM 0 H LEU A 76 1.770 3.636 5.888 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.531 4.975 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.417 4.656 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.917 5.681 4.664 1.00 0.00 H new ATOM 0 HG LEU A 76 1.782 5.961 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.368 7.704 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.198 6.105 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.894 7.307 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.004 8.304 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.482 7.921 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.170 7.146 6.984 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.959 2.166 5.440 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.996 1.137 5.152 1.00 0.00 C ATOM 1160 C LEU A 77 -2.558 0.630 6.484 1.00 0.00 C ATOM 1161 O LEU A 77 -3.752 0.489 6.657 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.368 -0.031 4.369 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.279 0.320 2.868 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.239 -0.579 2.192 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.637 0.109 2.176 1.00 0.00 C ATOM 0 H LEU A 77 0.002 1.885 5.247 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.796 1.569 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.373 -0.247 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.966 -0.932 4.504 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.991 1.368 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.177 -0.331 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.734 -0.424 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.533 -1.623 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.550 0.363 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.938 -0.934 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.386 0.749 2.642 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.695 0.359 7.427 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.155 -0.135 8.757 1.00 0.00 C ATOM 1179 C GLN A 78 -3.034 0.926 9.431 1.00 0.00 C ATOM 1180 O GLN A 78 -4.014 0.614 10.076 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.928 -0.411 9.639 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.288 -1.743 9.234 1.00 0.00 C ATOM 1183 CD GLN A 78 1.091 -1.871 9.887 1.00 0.00 C ATOM 1184 OE1 GLN A 78 2.098 -1.894 9.208 1.00 0.00 O ATOM 1185 NE2 GLN A 78 1.177 -1.957 11.186 1.00 0.00 N ATOM 0 H GLN A 78 -0.684 0.460 7.332 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.734 -1.049 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.204 0.397 9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.222 -0.442 10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.925 -2.572 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.194 -1.798 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.331 -1.938 11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.090 -2.044 11.632 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.683 2.180 9.297 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.503 3.248 9.941 1.00 0.00 C ATOM 1196 C ASN A 79 -4.759 3.511 9.105 1.00 0.00 C ATOM 1197 O ASN A 79 -5.754 3.979 9.620 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.685 4.531 10.101 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.493 5.560 10.895 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.578 5.934 10.497 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.006 6.035 12.008 1.00 0.00 N ATOM 0 H ASN A 79 -1.871 2.508 8.774 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.803 2.913 10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.748 4.315 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.427 4.934 9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.536 6.721 12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.095 5.720 12.341 1.00 0.00 H new ATOM 1208 N SER A 80 -4.745 3.221 7.832 1.00 0.00 N ATOM 1209 CA SER A 80 -5.979 3.482 7.039 1.00 0.00 C ATOM 1210 C SER A 80 -7.077 2.568 7.588 1.00 0.00 C ATOM 1211 O SER A 80 -8.240 2.921 7.619 1.00 0.00 O ATOM 1212 CB SER A 80 -5.731 3.197 5.556 1.00 0.00 C ATOM 1213 OG SER A 80 -4.607 3.948 5.117 1.00 0.00 O ATOM 0 H SER A 80 -3.957 2.826 7.319 1.00 0.00 H new ATOM 0 HA SER A 80 -6.277 4.527 7.124 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.554 2.132 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.611 3.462 4.970 1.00 0.00 H new ATOM 0 HG SER A 80 -3.783 3.477 5.361 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.704 1.390 8.016 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.694 0.416 8.568 1.00 0.00 C ATOM 1221 C VAL A 81 -8.676 1.141 9.491 1.00 0.00 C ATOM 1222 O VAL A 81 -9.871 0.941 9.412 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.952 -0.659 9.366 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.942 -1.735 9.813 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.876 -1.298 8.487 1.00 0.00 C ATOM 0 H VAL A 81 -5.740 1.056 8.006 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.244 -0.044 7.747 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.486 -0.203 10.240 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.415 -2.501 10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.712 -1.284 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.407 -2.188 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.348 -2.063 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.343 -1.753 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.169 -0.534 8.164 1.00 0.00 H new