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 66 THR OG1 : rot 180:sc= -1.12 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.0822 K(o=-1.2,f=-8.4!) 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 :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0203 (180deg=-0.818) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -138:sc= -2.34 (180deg=-5.09!) USER MOD Single : A 38 GLN :FLIP amide:sc= 1.07 F(o=-0.28,f=1.1) USER MOD Single : A 41 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-6.7!) USER MOD Single : A 43 SER OG : rot 119:sc= 0.153 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -1.37 (180deg=-2.07) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0145 F(o=-1,f=-0.015) USER MOD Single : A 72 ASN : amide:sc= -0.533 K(o=-0.53,f=-4.6!) USER MOD Single : A 74 GLN : amide:sc= -2.01 K(o=-2,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0154 F(o=-0.8,f=-0.015) USER MOD Single : A 79 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.0016) USER MOD Single : A 80 SER OG : rot 140:sc= -0.496 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.828 -2.208 -5.561 1.00 0.00 N ATOM 148 CA ILE A 13 14.350 -2.091 -5.408 1.00 0.00 C ATOM 149 C ILE A 13 13.813 -3.354 -4.730 1.00 0.00 C ATOM 150 O ILE A 13 14.297 -4.443 -4.968 1.00 0.00 O ATOM 151 CB ILE A 13 13.714 -1.940 -6.796 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.447 -0.847 -7.585 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.236 -1.565 -6.662 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.528 0.440 -6.754 1.00 0.00 C ATOM 0 HA ILE A 13 14.106 -1.221 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 13 13.795 -2.890 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.450 -1.186 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.925 -0.652 -8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.796 -1.461 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.711 -2.346 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.147 -0.621 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.050 1.209 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.521 0.784 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.070 0.243 -5.829 1.00 0.00 H new ATOM 166 N ILE A 14 12.835 -3.218 -3.868 1.00 0.00 N ATOM 167 CA ILE A 14 12.274 -4.401 -3.141 1.00 0.00 C ATOM 168 C ILE A 14 10.770 -4.492 -3.393 1.00 0.00 C ATOM 169 O ILE A 14 10.107 -3.490 -3.574 1.00 0.00 O ATOM 170 CB ILE A 14 12.523 -4.197 -1.643 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.030 -4.092 -1.398 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.963 -5.380 -0.847 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.286 -3.679 0.051 1.00 0.00 C ATOM 0 H ILE A 14 12.396 -2.327 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 14 12.749 -5.318 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 14 12.025 -3.284 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.510 -5.049 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.469 -3.362 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.146 -5.223 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.890 -5.461 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.453 -6.299 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.360 -3.605 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.820 -2.712 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.861 -4.425 0.722 1.00 0.00 H new ATOM 185 N THR A 15 10.217 -5.680 -3.387 1.00 0.00 N ATOM 186 CA THR A 15 8.748 -5.851 -3.602 1.00 0.00 C ATOM 187 C THR A 15 8.193 -6.700 -2.458 1.00 0.00 C ATOM 188 O THR A 15 8.783 -7.684 -2.058 1.00 0.00 O ATOM 189 CB THR A 15 8.502 -6.567 -4.932 1.00 0.00 C ATOM 190 OG1 THR A 15 9.367 -6.033 -5.924 1.00 0.00 O ATOM 191 CG2 THR A 15 7.047 -6.372 -5.360 1.00 0.00 C ATOM 0 H THR A 15 10.729 -6.550 -3.240 1.00 0.00 H new ATOM 0 HA THR A 15 8.257 -4.878 -3.627 1.00 0.00 H new ATOM 0 HB THR A 15 8.701 -7.632 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.211 -6.492 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.875 -6.883 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.385 -6.786 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.842 -5.308 -5.479 1.00 0.00 H new ATOM 199 N THR A 16 7.062 -6.325 -1.934 1.00 0.00 N ATOM 200 CA THR A 16 6.443 -7.096 -0.814 1.00 0.00 C ATOM 201 C THR A 16 4.934 -7.176 -1.053 1.00 0.00 C ATOM 202 O THR A 16 4.348 -6.247 -1.572 1.00 0.00 O ATOM 203 CB THR A 16 6.723 -6.380 0.513 1.00 0.00 C ATOM 204 OG1 THR A 16 6.073 -7.074 1.569 1.00 0.00 O ATOM 205 CG2 THR A 16 6.205 -4.941 0.450 1.00 0.00 C ATOM 0 H THR A 16 6.531 -5.508 -2.235 1.00 0.00 H new ATOM 0 HA THR A 16 6.863 -8.101 -0.770 1.00 0.00 H new ATOM 0 HB THR A 16 7.798 -6.363 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.252 -6.619 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.408 -4.440 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.707 -4.409 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.131 -4.949 0.266 1.00 0.00 H new ATOM 213 N GLN A 17 4.295 -8.271 -0.692 1.00 0.00 N ATOM 214 CA GLN A 17 2.811 -8.386 -0.923 1.00 0.00 C ATOM 215 C GLN A 17 2.067 -8.377 0.412 1.00 0.00 C ATOM 216 O GLN A 17 2.548 -8.877 1.410 1.00 0.00 O ATOM 217 CB GLN A 17 2.503 -9.682 -1.677 1.00 0.00 C ATOM 218 CG GLN A 17 3.083 -9.604 -3.090 1.00 0.00 C ATOM 219 CD GLN A 17 3.003 -10.983 -3.749 1.00 0.00 C ATOM 220 OE1 GLN A 17 2.109 -11.839 -3.336 1.00 0.00 O flip ATOM 221 NE2 GLN A 17 3.762 -11.284 -4.649 1.00 0.00 N flip ATOM 0 H GLN A 17 4.731 -9.082 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 17 2.480 -7.535 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.928 -10.534 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.426 -9.840 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.531 -8.873 -3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.119 -9.267 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.461 -10.615 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.700 -12.206 -5.081 1.00 0.00 H new ATOM 230 N VAL A 18 0.889 -7.796 0.430 1.00 0.00 N ATOM 231 CA VAL A 18 0.077 -7.720 1.684 1.00 0.00 C ATOM 232 C VAL A 18 -1.305 -8.323 1.420 1.00 0.00 C ATOM 233 O VAL A 18 -1.845 -8.217 0.336 1.00 0.00 O ATOM 234 CB VAL A 18 -0.092 -6.241 2.063 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.532 -6.115 3.523 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.241 -5.513 1.871 1.00 0.00 C ATOM 0 H VAL A 18 0.451 -7.366 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 18 0.572 -8.265 2.488 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.854 -5.796 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.648 -5.062 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.483 -6.629 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.221 -6.564 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.124 -4.463 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.999 -5.968 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.550 -5.589 0.829 1.00 0.00 H new ATOM 246 N THR A 19 -1.881 -8.940 2.417 1.00 0.00 N ATOM 247 CA THR A 19 -3.241 -9.549 2.276 1.00 0.00 C ATOM 248 C THR A 19 -4.157 -8.879 3.302 1.00 0.00 C ATOM 249 O THR A 19 -3.824 -8.783 4.466 1.00 0.00 O ATOM 250 CB THR A 19 -3.159 -11.056 2.548 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.003 -11.585 1.914 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.407 -11.748 1.996 1.00 0.00 C ATOM 0 H THR A 19 -1.461 -9.051 3.340 1.00 0.00 H new ATOM 0 HA THR A 19 -3.630 -9.402 1.268 1.00 0.00 H new ATOM 0 HB THR A 19 -3.099 -11.229 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.947 -12.548 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.346 -12.819 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.294 -11.341 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.472 -11.578 0.921 1.00 0.00 H new ATOM 260 N ILE A 20 -5.300 -8.403 2.875 1.00 0.00 N ATOM 261 CA ILE A 20 -6.251 -7.714 3.812 1.00 0.00 C ATOM 262 C ILE A 20 -7.641 -8.381 3.697 1.00 0.00 C ATOM 263 O ILE A 20 -8.072 -8.683 2.602 1.00 0.00 O ATOM 264 CB ILE A 20 -6.369 -6.215 3.395 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.892 -6.026 1.942 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.509 -5.331 4.314 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.044 -4.560 1.512 1.00 0.00 C ATOM 0 H ILE A 20 -5.621 -8.461 1.909 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.888 -7.789 4.837 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.416 -5.923 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.849 -6.331 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.470 -6.668 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.603 -4.289 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.848 -5.439 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.465 -5.637 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.702 -4.445 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.092 -4.267 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.446 -3.925 2.166 1.00 0.00 H new ATOM 279 N PRO A 21 -8.368 -8.584 4.777 1.00 0.00 N ATOM 280 CA PRO A 21 -9.726 -9.183 4.654 1.00 0.00 C ATOM 281 C PRO A 21 -10.623 -8.326 3.743 1.00 0.00 C ATOM 282 O PRO A 21 -10.540 -7.114 3.743 1.00 0.00 O ATOM 283 CB PRO A 21 -10.230 -9.206 6.112 1.00 0.00 C ATOM 284 CG PRO A 21 -9.143 -8.591 7.018 1.00 0.00 C ATOM 285 CD PRO A 21 -7.912 -8.250 6.155 1.00 0.00 C ATOM 0 HA PRO A 21 -9.728 -10.173 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.159 -8.643 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.446 -10.228 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.522 -7.693 7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.869 -9.291 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.634 -7.200 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.040 -8.836 6.445 1.00 0.00 H new ATOM 293 N LYS A 22 -11.448 -8.943 2.946 1.00 0.00 N ATOM 294 CA LYS A 22 -12.311 -8.170 2.015 1.00 0.00 C ATOM 295 C LYS A 22 -13.028 -7.021 2.742 1.00 0.00 C ATOM 296 O LYS A 22 -13.158 -5.936 2.211 1.00 0.00 O ATOM 297 CB LYS A 22 -13.340 -9.119 1.395 1.00 0.00 C ATOM 298 CG LYS A 22 -14.291 -8.327 0.499 1.00 0.00 C ATOM 299 CD LYS A 22 -15.157 -9.289 -0.336 1.00 0.00 C ATOM 300 CE LYS A 22 -14.421 -9.688 -1.621 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.319 -10.526 -2.465 1.00 0.00 N ATOM 0 H LYS A 22 -11.562 -9.956 2.900 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.686 -7.731 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.835 -9.891 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.901 -9.627 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.929 -7.687 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.721 -7.673 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.391 -10.179 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.105 -8.813 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.115 -8.797 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.513 -10.240 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.822 -10.798 -3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.590 -11.382 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.173 -9.984 -2.708 1.00 0.00 H new ATOM 315 N ASP A 23 -13.519 -7.248 3.930 1.00 0.00 N ATOM 316 CA ASP A 23 -14.252 -6.161 4.649 1.00 0.00 C ATOM 317 C ASP A 23 -13.335 -4.960 4.926 1.00 0.00 C ATOM 318 O ASP A 23 -13.693 -3.817 4.674 1.00 0.00 O ATOM 319 CB ASP A 23 -14.817 -6.700 5.965 1.00 0.00 C ATOM 320 CG ASP A 23 -15.544 -5.576 6.704 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.258 -4.832 6.052 1.00 0.00 O ATOM 322 OD2 ASP A 23 -15.372 -5.476 7.907 1.00 0.00 O ATOM 0 H ASP A 23 -13.446 -8.132 4.433 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.069 -5.822 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.503 -7.524 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.012 -7.096 6.584 1.00 0.00 H new ATOM 327 N LEU A 24 -12.144 -5.192 5.405 1.00 0.00 N ATOM 328 CA LEU A 24 -11.206 -4.068 5.663 1.00 0.00 C ATOM 329 C LEU A 24 -10.622 -3.617 4.331 1.00 0.00 C ATOM 330 O LEU A 24 -10.163 -2.501 4.180 1.00 0.00 O ATOM 331 CB LEU A 24 -10.058 -4.534 6.573 1.00 0.00 C ATOM 332 CG LEU A 24 -10.595 -5.081 7.909 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.416 -5.347 8.863 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.555 -4.067 8.557 1.00 0.00 C ATOM 0 H LEU A 24 -11.780 -6.118 5.629 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.740 -3.252 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.479 -5.307 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.380 -3.702 6.764 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.136 -6.008 7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.794 -5.734 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.743 -6.078 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.875 -4.417 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.926 -4.468 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.026 -3.133 8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.394 -3.881 7.887 1.00 0.00 H new ATOM 346 N ALA A 25 -10.624 -4.493 3.363 1.00 0.00 N ATOM 347 CA ALA A 25 -10.062 -4.146 2.036 1.00 0.00 C ATOM 348 C ALA A 25 -10.858 -3.000 1.426 1.00 0.00 C ATOM 349 O ALA A 25 -10.323 -2.122 0.782 1.00 0.00 O ATOM 350 CB ALA A 25 -10.174 -5.359 1.114 1.00 0.00 C ATOM 0 H ALA A 25 -10.995 -5.440 3.440 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.019 -3.851 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.763 -5.111 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.618 -6.193 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.222 -5.639 1.007 1.00 0.00 H new ATOM 356 N ARG A 26 -12.153 -3.023 1.611 1.00 0.00 N ATOM 357 CA ARG A 26 -13.005 -1.957 1.024 1.00 0.00 C ATOM 358 C ARG A 26 -12.826 -0.670 1.819 1.00 0.00 C ATOM 359 O ARG A 26 -12.873 0.410 1.267 1.00 0.00 O ATOM 360 CB ARG A 26 -14.473 -2.386 1.029 1.00 0.00 C ATOM 361 CG ARG A 26 -14.665 -3.553 0.059 1.00 0.00 C ATOM 362 CD ARG A 26 -16.107 -4.054 0.143 1.00 0.00 C ATOM 363 NE ARG A 26 -16.376 -4.561 1.518 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.605 -4.761 1.910 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.596 -4.519 1.097 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.842 -5.202 3.115 1.00 0.00 N ATOM 0 H ARG A 26 -12.653 -3.735 2.143 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.703 -1.785 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.774 -2.681 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.109 -1.549 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.438 -3.235 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.974 -4.360 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.799 -3.247 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.271 -4.846 -0.587 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.600 -4.752 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.410 -4.174 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.556 -4.675 1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.067 -5.390 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.802 -5.358 3.421 1.00 0.00 H new ATOM 380 N SER A 27 -12.614 -0.753 3.105 1.00 0.00 N ATOM 381 CA SER A 27 -12.429 0.498 3.888 1.00 0.00 C ATOM 382 C SER A 27 -11.115 1.165 3.471 1.00 0.00 C ATOM 383 O SER A 27 -10.994 2.374 3.479 1.00 0.00 O ATOM 384 CB SER A 27 -12.376 0.168 5.380 1.00 0.00 C ATOM 385 OG SER A 27 -12.543 1.364 6.130 1.00 0.00 O ATOM 0 H SER A 27 -12.562 -1.620 3.639 1.00 0.00 H new ATOM 0 HA SER A 27 -13.263 1.173 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.158 -0.547 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.423 -0.300 5.627 1.00 0.00 H new ATOM 0 HG SER A 27 -12.511 1.157 7.087 1.00 0.00 H new ATOM 391 N ILE A 28 -10.110 0.386 3.151 1.00 0.00 N ATOM 392 CA ILE A 28 -8.793 0.981 2.792 1.00 0.00 C ATOM 393 C ILE A 28 -8.805 1.503 1.353 1.00 0.00 C ATOM 394 O ILE A 28 -8.292 2.566 1.064 1.00 0.00 O ATOM 395 CB ILE A 28 -7.712 -0.093 2.945 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.540 -0.426 4.434 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.389 0.424 2.378 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.609 -1.639 4.623 1.00 0.00 C ATOM 0 H ILE A 28 -10.148 -0.633 3.124 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.587 1.822 3.455 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.008 -0.990 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.130 0.437 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.513 -0.637 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.622 -0.342 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.514 0.663 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.087 1.321 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.503 -1.854 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.034 -2.506 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.630 -1.416 4.199 1.00 0.00 H new ATOM 410 N ILE A 29 -9.370 0.758 0.448 1.00 0.00 N ATOM 411 CA ILE A 29 -9.388 1.220 -0.965 1.00 0.00 C ATOM 412 C ILE A 29 -10.318 2.422 -1.093 1.00 0.00 C ATOM 413 O ILE A 29 -10.055 3.328 -1.850 1.00 0.00 O ATOM 414 CB ILE A 29 -9.859 0.082 -1.878 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.918 -1.124 -1.724 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.842 0.551 -3.336 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.588 -2.368 -2.303 1.00 0.00 C ATOM 0 H ILE A 29 -9.816 -0.142 0.622 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.383 1.514 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.873 -0.206 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.976 -0.932 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.680 -1.282 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.177 -0.260 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.508 1.406 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.828 0.841 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.922 -3.224 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.518 -2.562 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.803 -2.207 -3.359 1.00 0.00 H new ATOM 429 N GLY A 30 -11.413 2.449 -0.387 1.00 0.00 N ATOM 430 CA GLY A 30 -12.345 3.604 -0.520 1.00 0.00 C ATOM 431 C GLY A 30 -13.297 3.312 -1.680 1.00 0.00 C ATOM 432 O GLY A 30 -13.307 2.226 -2.224 1.00 0.00 O ATOM 0 H GLY A 30 -11.702 1.727 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.904 3.751 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.789 4.523 -0.706 1.00 0.00 H new ATOM 436 N LYS A 31 -14.086 4.273 -2.079 1.00 0.00 N ATOM 437 CA LYS A 31 -15.020 4.047 -3.223 1.00 0.00 C ATOM 438 C LYS A 31 -14.314 4.451 -4.526 1.00 0.00 C ATOM 439 O LYS A 31 -14.269 3.702 -5.482 1.00 0.00 O ATOM 440 CB LYS A 31 -16.289 4.899 -3.018 1.00 0.00 C ATOM 441 CG LYS A 31 -17.489 4.248 -3.723 1.00 0.00 C ATOM 442 CD LYS A 31 -17.248 4.213 -5.238 1.00 0.00 C ATOM 443 CE LYS A 31 -18.575 3.993 -5.973 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.421 3.045 -5.195 1.00 0.00 N ATOM 0 H LYS A 31 -14.125 5.204 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.305 2.996 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.497 5.003 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.129 5.903 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.638 3.236 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.398 4.807 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.792 5.148 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.549 3.414 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.095 4.943 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.389 3.597 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.155 2.646 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.828 2.277 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.872 3.550 -4.405 1.00 0.00 H new ATOM 458 N GLY A 32 -13.762 5.637 -4.568 1.00 0.00 N ATOM 459 CA GLY A 32 -13.061 6.112 -5.803 1.00 0.00 C ATOM 460 C GLY A 32 -11.549 5.887 -5.688 1.00 0.00 C ATOM 461 O GLY A 32 -10.782 6.422 -6.464 1.00 0.00 O ATOM 0 H GLY A 32 -13.766 6.302 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.447 5.582 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.265 7.171 -5.959 1.00 0.00 H new ATOM 465 N GLY A 33 -11.103 5.106 -4.743 1.00 0.00 N ATOM 466 CA GLY A 33 -9.632 4.870 -4.618 1.00 0.00 C ATOM 467 C GLY A 33 -8.953 6.135 -4.092 1.00 0.00 C ATOM 468 O GLY A 33 -7.757 6.149 -3.883 1.00 0.00 O ATOM 0 H GLY A 33 -11.684 4.624 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.443 4.036 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.214 4.596 -5.587 1.00 0.00 H new ATOM 472 N GLN A 34 -9.679 7.209 -3.923 1.00 0.00 N ATOM 473 CA GLN A 34 -9.040 8.482 -3.458 1.00 0.00 C ATOM 474 C GLN A 34 -8.035 8.188 -2.331 1.00 0.00 C ATOM 475 O GLN A 34 -7.174 8.991 -2.032 1.00 0.00 O ATOM 476 CB GLN A 34 -10.134 9.415 -2.913 1.00 0.00 C ATOM 477 CG GLN A 34 -10.907 10.055 -4.074 1.00 0.00 C ATOM 478 CD GLN A 34 -11.961 11.015 -3.520 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.144 10.804 -3.698 1.00 0.00 O ATOM 480 NE2 GLN A 34 -11.579 12.069 -2.852 1.00 0.00 N ATOM 0 H GLN A 34 -10.685 7.263 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.519 8.949 -4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.818 8.854 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.685 10.191 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.221 10.591 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.385 9.282 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.586 12.246 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.274 12.716 -2.479 1.00 0.00 H new ATOM 489 N ARG A 35 -8.163 7.058 -1.681 1.00 0.00 N ATOM 490 CA ARG A 35 -7.242 6.732 -0.543 1.00 0.00 C ATOM 491 C ARG A 35 -5.958 6.067 -1.053 1.00 0.00 C ATOM 492 O ARG A 35 -4.880 6.336 -0.560 1.00 0.00 O ATOM 493 CB ARG A 35 -7.962 5.779 0.433 1.00 0.00 C ATOM 494 CG ARG A 35 -7.066 5.477 1.646 1.00 0.00 C ATOM 495 CD ARG A 35 -6.781 6.764 2.434 1.00 0.00 C ATOM 496 NE ARG A 35 -6.498 6.418 3.855 1.00 0.00 N ATOM 497 CZ ARG A 35 -5.949 7.300 4.645 1.00 0.00 C ATOM 498 NH1 ARG A 35 -5.650 8.486 4.190 1.00 0.00 N ATOM 499 NH2 ARG A 35 -5.699 6.996 5.889 1.00 0.00 N ATOM 0 H ARG A 35 -8.864 6.346 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.972 7.657 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.897 6.228 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.219 4.851 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.553 4.747 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.129 5.032 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.931 7.290 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.636 7.437 2.375 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.733 5.491 4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.845 8.723 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.221 9.176 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.933 6.069 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.270 7.685 6.506 1.00 0.00 H new ATOM 513 N ILE A 36 -6.046 5.200 -2.028 1.00 0.00 N ATOM 514 CA ILE A 36 -4.807 4.539 -2.536 1.00 0.00 C ATOM 515 C ILE A 36 -4.027 5.529 -3.422 1.00 0.00 C ATOM 516 O ILE A 36 -2.819 5.456 -3.528 1.00 0.00 O ATOM 517 CB ILE A 36 -5.193 3.242 -3.297 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.096 2.028 -2.347 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.288 3.015 -4.519 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.637 1.565 -2.191 1.00 0.00 C ATOM 0 H ILE A 36 -6.912 4.923 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.155 4.254 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.218 3.354 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.504 2.292 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.702 1.209 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.587 2.098 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.383 3.858 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.252 2.928 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.597 0.709 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.240 1.279 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.039 2.379 -1.780 1.00 0.00 H new ATOM 532 N LYS A 37 -4.702 6.456 -4.048 1.00 0.00 N ATOM 533 CA LYS A 37 -3.987 7.440 -4.908 1.00 0.00 C ATOM 534 C LYS A 37 -3.226 8.427 -4.018 1.00 0.00 C ATOM 535 O LYS A 37 -2.057 8.688 -4.226 1.00 0.00 O ATOM 536 CB LYS A 37 -5.001 8.199 -5.768 1.00 0.00 C ATOM 537 CG LYS A 37 -5.612 7.246 -6.805 1.00 0.00 C ATOM 538 CD LYS A 37 -6.907 7.844 -7.368 1.00 0.00 C ATOM 539 CE LYS A 37 -6.589 9.090 -8.202 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.304 10.236 -7.294 1.00 0.00 N ATOM 0 H LYS A 37 -5.714 6.573 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.284 6.918 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.785 8.619 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.514 9.035 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.902 7.070 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.818 6.279 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.421 7.106 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.582 8.104 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.730 8.900 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.430 9.329 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.763 11.093 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.673 10.027 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.277 10.389 -7.240 1.00 0.00 H new ATOM 554 N GLN A 38 -3.874 8.982 -3.032 1.00 0.00 N ATOM 555 CA GLN A 38 -3.177 9.953 -2.141 1.00 0.00 C ATOM 556 C GLN A 38 -1.931 9.299 -1.531 1.00 0.00 C ATOM 557 O GLN A 38 -0.838 9.821 -1.623 1.00 0.00 O ATOM 558 CB GLN A 38 -4.127 10.392 -1.024 1.00 0.00 C ATOM 559 CG GLN A 38 -5.189 11.332 -1.598 1.00 0.00 C ATOM 560 CD GLN A 38 -6.201 11.687 -0.508 1.00 0.00 C ATOM 561 OE1 GLN A 38 -6.037 12.778 0.188 1.00 0.00 O flip ATOM 562 NE2 GLN A 38 -7.152 10.963 -0.287 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.853 8.807 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.874 10.823 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.602 9.521 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.569 10.895 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.719 12.238 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.695 10.856 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.281 10.110 -0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.821 11.209 0.442 1.00 0.00 H new ATOM 571 N ILE A 39 -2.084 8.162 -0.906 1.00 0.00 N ATOM 572 CA ILE A 39 -0.908 7.482 -0.289 1.00 0.00 C ATOM 573 C ILE A 39 0.203 7.318 -1.331 1.00 0.00 C ATOM 574 O ILE A 39 1.375 7.329 -1.011 1.00 0.00 O ATOM 575 CB ILE A 39 -1.333 6.103 0.222 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.360 6.271 1.345 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.112 5.353 0.759 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.988 4.914 1.671 1.00 0.00 C ATOM 0 H ILE A 39 -2.973 7.674 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.536 8.084 0.540 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.775 5.535 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.880 6.684 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.133 6.978 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.418 4.372 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.621 5.232 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.332 5.920 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.719 5.034 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.482 4.519 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.210 4.221 1.992 1.00 0.00 H new ATOM 590 N ARG A 40 -0.156 7.155 -2.574 1.00 0.00 N ATOM 591 CA ARG A 40 0.877 6.977 -3.636 1.00 0.00 C ATOM 592 C ARG A 40 1.754 8.229 -3.740 1.00 0.00 C ATOM 593 O ARG A 40 2.954 8.142 -3.909 1.00 0.00 O ATOM 594 CB ARG A 40 0.183 6.731 -4.980 1.00 0.00 C ATOM 595 CG ARG A 40 1.186 6.150 -5.978 1.00 0.00 C ATOM 596 CD ARG A 40 0.504 5.963 -7.335 1.00 0.00 C ATOM 597 NE ARG A 40 0.325 7.290 -7.989 1.00 0.00 N ATOM 598 CZ ARG A 40 0.040 7.358 -9.261 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.092 6.264 -9.959 1.00 0.00 N ATOM 600 NH2 ARG A 40 -0.115 8.520 -9.834 1.00 0.00 N ATOM 0 H ARG A 40 -1.122 7.137 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 40 1.506 6.125 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.653 6.044 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.228 7.664 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.043 6.816 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.565 5.195 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.105 5.311 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.463 5.477 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 40 0.425 8.145 -7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.027 5.356 -9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.315 6.317 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.013 9.376 -9.288 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.338 8.573 -10.828 1.00 0.00 H new ATOM 614 N HIS A 41 1.168 9.393 -3.659 1.00 0.00 N ATOM 615 CA HIS A 41 1.975 10.644 -3.774 1.00 0.00 C ATOM 616 C HIS A 41 2.642 10.974 -2.434 1.00 0.00 C ATOM 617 O HIS A 41 3.768 11.425 -2.389 1.00 0.00 O ATOM 618 CB HIS A 41 1.062 11.801 -4.183 1.00 0.00 C ATOM 619 CG HIS A 41 0.369 11.462 -5.473 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.334 10.280 -5.646 1.00 0.00 N ATOM 621 CD2 HIS A 41 0.260 12.139 -6.663 1.00 0.00 C ATOM 622 CE1 HIS A 41 -0.829 10.281 -6.897 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.497 11.392 -7.560 1.00 0.00 N ATOM 0 H HIS A 41 0.167 9.533 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 41 2.749 10.496 -4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.326 11.991 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.645 12.714 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.696 13.105 -6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.422 9.481 -7.314 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -0.745 11.640 -8.518 1.00 0.00 H new ATOM 631 N GLU A 42 1.955 10.766 -1.345 1.00 0.00 N ATOM 632 CA GLU A 42 2.551 11.084 -0.015 1.00 0.00 C ATOM 633 C GLU A 42 3.749 10.174 0.265 1.00 0.00 C ATOM 634 O GLU A 42 4.759 10.609 0.784 1.00 0.00 O ATOM 635 CB GLU A 42 1.501 10.891 1.081 1.00 0.00 C ATOM 636 CG GLU A 42 0.268 11.738 0.764 1.00 0.00 C ATOM 637 CD GLU A 42 0.604 13.219 0.948 1.00 0.00 C ATOM 638 OE1 GLU A 42 1.144 13.559 1.989 1.00 0.00 O ATOM 639 OE2 GLU A 42 0.317 13.988 0.046 1.00 0.00 O ATOM 0 H GLU A 42 1.007 10.390 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 42 2.887 12.121 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.224 9.839 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.913 11.178 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.060 11.553 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.557 11.457 1.419 1.00 0.00 H new ATOM 646 N SER A 43 3.644 8.912 -0.048 1.00 0.00 N ATOM 647 CA SER A 43 4.775 7.976 0.230 1.00 0.00 C ATOM 648 C SER A 43 5.768 7.969 -0.936 1.00 0.00 C ATOM 649 O SER A 43 6.918 7.611 -0.776 1.00 0.00 O ATOM 650 CB SER A 43 4.222 6.568 0.443 1.00 0.00 C ATOM 651 OG SER A 43 5.263 5.619 0.252 1.00 0.00 O ATOM 0 H SER A 43 2.826 8.487 -0.484 1.00 0.00 H new ATOM 0 HA SER A 43 5.297 8.309 1.127 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.810 6.475 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.407 6.376 -0.255 1.00 0.00 H new ATOM 0 HG SER A 43 5.407 5.120 1.083 1.00 0.00 H new ATOM 657 N GLY A 44 5.337 8.336 -2.111 1.00 0.00 N ATOM 658 CA GLY A 44 6.269 8.316 -3.275 1.00 0.00 C ATOM 659 C GLY A 44 6.423 6.866 -3.729 1.00 0.00 C ATOM 660 O GLY A 44 7.145 6.559 -4.657 1.00 0.00 O ATOM 0 H GLY A 44 4.387 8.647 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.879 8.930 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.237 8.733 -2.996 1.00 0.00 H new ATOM 664 N ALA A 45 5.744 5.977 -3.064 1.00 0.00 N ATOM 665 CA ALA A 45 5.823 4.533 -3.414 1.00 0.00 C ATOM 666 C ALA A 45 4.860 4.216 -4.556 1.00 0.00 C ATOM 667 O ALA A 45 3.902 4.923 -4.799 1.00 0.00 O ATOM 668 CB ALA A 45 5.432 3.703 -2.189 1.00 0.00 C ATOM 0 H ALA A 45 5.128 6.193 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 45 6.840 4.294 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.487 2.643 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.116 3.921 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.414 3.954 -1.889 1.00 0.00 H new ATOM 674 N SER A 46 5.092 3.115 -5.221 1.00 0.00 N ATOM 675 CA SER A 46 4.185 2.669 -6.319 1.00 0.00 C ATOM 676 C SER A 46 3.436 1.451 -5.788 1.00 0.00 C ATOM 677 O SER A 46 4.011 0.632 -5.098 1.00 0.00 O ATOM 678 CB SER A 46 5.010 2.269 -7.545 1.00 0.00 C ATOM 679 OG SER A 46 5.651 3.422 -8.077 1.00 0.00 O ATOM 0 H SER A 46 5.884 2.497 -5.047 1.00 0.00 H new ATOM 0 HA SER A 46 3.500 3.464 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.753 1.521 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.366 1.816 -8.299 1.00 0.00 H new ATOM 0 HG SER A 46 6.181 3.169 -8.861 1.00 0.00 H new ATOM 685 N ILE A 47 2.164 1.315 -6.067 1.00 0.00 N ATOM 686 CA ILE A 47 1.396 0.144 -5.537 1.00 0.00 C ATOM 687 C ILE A 47 0.487 -0.420 -6.627 1.00 0.00 C ATOM 688 O ILE A 47 -0.149 0.313 -7.357 1.00 0.00 O ATOM 689 CB ILE A 47 0.539 0.598 -4.343 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.456 1.006 -3.185 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.373 -0.550 -3.884 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.629 1.658 -2.076 1.00 0.00 C ATOM 0 H ILE A 47 1.623 1.964 -6.639 1.00 0.00 H new ATOM 0 HA ILE A 47 2.095 -0.630 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.075 1.446 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.978 0.131 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.218 1.700 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.976 -0.220 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.028 -0.844 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.237 -1.402 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.285 1.946 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.128 2.543 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.116 0.950 -1.714 1.00 0.00 H new ATOM 704 N LYS A 48 0.422 -1.720 -6.740 1.00 0.00 N ATOM 705 CA LYS A 48 -0.436 -2.372 -7.772 1.00 0.00 C ATOM 706 C LYS A 48 -1.399 -3.314 -7.058 1.00 0.00 C ATOM 707 O LYS A 48 -0.984 -4.145 -6.275 1.00 0.00 O ATOM 708 CB LYS A 48 0.460 -3.182 -8.715 1.00 0.00 C ATOM 709 CG LYS A 48 -0.366 -3.728 -9.884 1.00 0.00 C ATOM 710 CD LYS A 48 0.431 -4.813 -10.612 1.00 0.00 C ATOM 711 CE LYS A 48 1.800 -4.263 -11.019 1.00 0.00 C ATOM 712 NZ LYS A 48 1.640 -2.884 -11.561 1.00 0.00 N ATOM 0 H LYS A 48 0.938 -2.370 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.990 -1.627 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.267 -2.554 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.924 -4.005 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.307 -4.138 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.616 -2.922 -10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.555 -5.682 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.114 -5.148 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.470 -4.252 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.255 -4.910 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.337 -2.725 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.681 -2.772 -11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.790 -2.192 -10.799 1.00 0.00 H new ATOM 726 N ILE A 49 -2.678 -3.202 -7.304 1.00 0.00 N ATOM 727 CA ILE A 49 -3.662 -4.096 -6.625 1.00 0.00 C ATOM 728 C ILE A 49 -4.044 -5.225 -7.583 1.00 0.00 C ATOM 729 O ILE A 49 -4.321 -4.996 -8.744 1.00 0.00 O ATOM 730 CB ILE A 49 -4.900 -3.271 -6.261 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.468 -2.081 -5.398 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.893 -4.135 -5.480 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.650 -1.136 -5.189 1.00 0.00 C ATOM 0 H ILE A 49 -3.085 -2.526 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.234 -4.525 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.381 -2.915 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.098 -2.434 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.647 -1.550 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.770 -3.541 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.196 -4.985 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.421 -4.496 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.337 -0.292 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.000 -0.772 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.458 -1.669 -4.688 1.00 0.00 H new ATOM 745 N ASP A 50 -4.065 -6.442 -7.113 1.00 0.00 N ATOM 746 CA ASP A 50 -4.435 -7.588 -7.999 1.00 0.00 C ATOM 747 C ASP A 50 -5.929 -7.859 -7.842 1.00 0.00 C ATOM 748 O ASP A 50 -6.505 -7.593 -6.806 1.00 0.00 O ATOM 749 CB ASP A 50 -3.649 -8.826 -7.570 1.00 0.00 C ATOM 750 CG ASP A 50 -3.706 -8.955 -6.051 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.785 -9.206 -5.539 1.00 0.00 O ATOM 752 OD2 ASP A 50 -2.672 -8.796 -5.425 1.00 0.00 O ATOM 0 H ASP A 50 -3.841 -6.695 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.204 -7.353 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.067 -9.717 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.614 -8.747 -7.902 1.00 0.00 H new ATOM 757 N GLU A 51 -6.565 -8.400 -8.842 1.00 0.00 N ATOM 758 CA GLU A 51 -8.016 -8.697 -8.710 1.00 0.00 C ATOM 759 C GLU A 51 -8.197 -9.802 -7.654 1.00 0.00 C ATOM 760 O GLU A 51 -7.333 -10.643 -7.499 1.00 0.00 O ATOM 761 CB GLU A 51 -8.543 -9.195 -10.059 1.00 0.00 C ATOM 762 CG GLU A 51 -8.589 -8.030 -11.049 1.00 0.00 C ATOM 763 CD GLU A 51 -9.099 -8.528 -12.403 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.563 -9.510 -12.891 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.016 -7.919 -12.929 1.00 0.00 O ATOM 0 H GLU A 51 -6.146 -8.648 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.561 -7.802 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.900 -9.987 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.538 -9.623 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.241 -7.243 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.596 -7.595 -11.161 1.00 0.00 H new ATOM 772 N PRO A 52 -9.299 -9.828 -6.935 1.00 0.00 N ATOM 773 CA PRO A 52 -9.512 -10.892 -5.911 1.00 0.00 C ATOM 774 C PRO A 52 -9.524 -12.293 -6.541 1.00 0.00 C ATOM 775 O PRO A 52 -10.019 -12.488 -7.633 1.00 0.00 O ATOM 776 CB PRO A 52 -10.891 -10.521 -5.325 1.00 0.00 C ATOM 777 CG PRO A 52 -11.512 -9.429 -6.215 1.00 0.00 C ATOM 778 CD PRO A 52 -10.394 -8.826 -7.080 1.00 0.00 C ATOM 0 HA PRO A 52 -8.720 -10.935 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.538 -11.397 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.785 -10.163 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.295 -9.851 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.977 -8.657 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.703 -8.709 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.092 -7.841 -6.725 1.00 0.00 H new ATOM 853 N ASP A 58 -10.698 -12.229 0.126 1.00 0.00 N ATOM 854 CA ASP A 58 -9.535 -11.369 0.516 1.00 0.00 C ATOM 855 C ASP A 58 -8.964 -10.665 -0.718 1.00 0.00 C ATOM 856 O ASP A 58 -9.064 -11.141 -1.831 1.00 0.00 O ATOM 857 CB ASP A 58 -8.449 -12.243 1.146 1.00 0.00 C ATOM 858 CG ASP A 58 -9.024 -12.975 2.359 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.682 -13.983 2.161 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.795 -12.516 3.466 1.00 0.00 O ATOM 0 HA ASP A 58 -9.870 -10.619 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.077 -12.962 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.601 -11.628 1.447 1.00 0.00 H new ATOM 865 N ARG A 59 -8.337 -9.536 -0.500 1.00 0.00 N ATOM 866 CA ARG A 59 -7.705 -8.761 -1.612 1.00 0.00 C ATOM 867 C ARG A 59 -6.207 -8.662 -1.319 1.00 0.00 C ATOM 868 O ARG A 59 -5.808 -8.450 -0.191 1.00 0.00 O ATOM 869 CB ARG A 59 -8.312 -7.353 -1.668 1.00 0.00 C ATOM 870 CG ARG A 59 -9.767 -7.426 -2.196 1.00 0.00 C ATOM 871 CD ARG A 59 -10.185 -6.101 -2.853 1.00 0.00 C ATOM 872 NE ARG A 59 -11.663 -6.098 -3.051 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.280 -4.982 -3.323 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.601 -3.874 -3.430 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.574 -4.972 -3.491 1.00 0.00 N ATOM 0 H ARG A 59 -8.235 -9.110 0.421 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.876 -9.255 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.298 -6.902 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.712 -6.715 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.854 -8.237 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.444 -7.657 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.888 -5.260 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.677 -5.979 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.190 -6.968 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.589 -3.881 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.082 -3.000 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.106 -5.839 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.054 -4.097 -3.704 1.00 0.00 H new ATOM 889 N ILE A 60 -5.374 -8.833 -2.318 1.00 0.00 N ATOM 890 CA ILE A 60 -3.893 -8.772 -2.092 1.00 0.00 C ATOM 891 C ILE A 60 -3.310 -7.499 -2.718 1.00 0.00 C ATOM 892 O ILE A 60 -3.752 -7.044 -3.753 1.00 0.00 O ATOM 893 CB ILE A 60 -3.258 -10.013 -2.721 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.662 -11.240 -1.892 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.732 -9.878 -2.720 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.413 -12.507 -2.698 1.00 0.00 C ATOM 0 H ILE A 60 -5.656 -9.012 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.681 -8.748 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.601 -10.121 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.090 -11.269 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.714 -11.174 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.288 -10.766 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.444 -8.998 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.377 -9.774 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.701 -13.377 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.005 -12.478 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.355 -12.575 -2.952 1.00 0.00 H new ATOM 908 N ILE A 61 -2.324 -6.926 -2.081 1.00 0.00 N ATOM 909 CA ILE A 61 -1.696 -5.672 -2.610 1.00 0.00 C ATOM 910 C ILE A 61 -0.183 -5.852 -2.746 1.00 0.00 C ATOM 911 O ILE A 61 0.444 -6.510 -1.944 1.00 0.00 O ATOM 912 CB ILE A 61 -1.985 -4.523 -1.637 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.487 -4.224 -1.675 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.192 -3.275 -2.058 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.828 -3.118 -0.679 1.00 0.00 C ATOM 0 H ILE A 61 -1.921 -7.273 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.113 -5.448 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.686 -4.802 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.780 -3.922 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.051 -5.126 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.400 -2.461 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.126 -3.500 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.487 -2.979 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.898 -2.914 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.552 -3.436 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.277 -2.214 -0.937 1.00 0.00 H new ATOM 927 N THR A 62 0.403 -5.261 -3.763 1.00 0.00 N ATOM 928 CA THR A 62 1.881 -5.377 -3.978 1.00 0.00 C ATOM 929 C THR A 62 2.518 -3.986 -3.885 1.00 0.00 C ATOM 930 O THR A 62 2.163 -3.081 -4.614 1.00 0.00 O ATOM 931 CB THR A 62 2.142 -5.970 -5.368 1.00 0.00 C ATOM 932 OG1 THR A 62 1.521 -7.244 -5.457 1.00 0.00 O ATOM 933 CG2 THR A 62 3.647 -6.121 -5.587 1.00 0.00 C ATOM 0 H THR A 62 -0.086 -4.698 -4.459 1.00 0.00 H new ATOM 0 HA THR A 62 2.315 -6.025 -3.217 1.00 0.00 H new ATOM 0 HB THR A 62 1.732 -5.307 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.684 -7.626 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.830 -6.543 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.125 -5.144 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.060 -6.784 -4.827 1.00 0.00 H new ATOM 941 N ILE A 63 3.457 -3.808 -2.987 1.00 0.00 N ATOM 942 CA ILE A 63 4.127 -2.479 -2.827 1.00 0.00 C ATOM 943 C ILE A 63 5.504 -2.521 -3.492 1.00 0.00 C ATOM 944 O ILE A 63 6.255 -3.452 -3.278 1.00 0.00 O ATOM 945 CB ILE A 63 4.317 -2.200 -1.336 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.995 -2.454 -0.604 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.752 -0.742 -1.141 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.106 -1.972 0.843 1.00 0.00 C ATOM 0 H ILE A 63 3.791 -4.534 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 63 3.516 -1.702 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 63 5.086 -2.858 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.182 -1.933 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.754 -3.517 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.888 -0.542 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.692 -0.569 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.986 -0.077 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.164 -2.154 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.907 -2.513 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.326 -0.904 0.855 1.00 0.00 H new ATOM 960 N THR A 64 5.863 -1.528 -4.273 1.00 0.00 N ATOM 961 CA THR A 64 7.224 -1.533 -4.919 1.00 0.00 C ATOM 962 C THR A 64 7.889 -0.174 -4.698 1.00 0.00 C ATOM 963 O THR A 64 7.302 0.860 -4.947 1.00 0.00 O ATOM 964 CB THR A 64 7.086 -1.800 -6.420 1.00 0.00 C ATOM 965 OG1 THR A 64 6.199 -2.890 -6.627 1.00 0.00 O ATOM 966 CG2 THR A 64 8.457 -2.136 -7.010 1.00 0.00 C ATOM 0 H THR A 64 5.281 -0.719 -4.492 1.00 0.00 H new ATOM 0 HA THR A 64 7.835 -2.318 -4.474 1.00 0.00 H new ATOM 0 HB THR A 64 6.690 -0.911 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.109 -3.061 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.357 -2.326 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.136 -1.298 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.856 -3.024 -6.520 1.00 0.00 H new ATOM 974 N GLY A 65 9.107 -0.160 -4.221 1.00 0.00 N ATOM 975 CA GLY A 65 9.812 1.129 -3.970 1.00 0.00 C ATOM 976 C GLY A 65 10.970 0.875 -2.998 1.00 0.00 C ATOM 977 O GLY A 65 11.256 -0.253 -2.649 1.00 0.00 O ATOM 0 H GLY A 65 9.647 -0.995 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.188 1.542 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.122 1.862 -3.552 1.00 0.00 H new ATOM 981 N THR A 66 11.636 1.904 -2.551 1.00 0.00 N ATOM 982 CA THR A 66 12.768 1.693 -1.598 1.00 0.00 C ATOM 983 C THR A 66 12.216 1.250 -0.238 1.00 0.00 C ATOM 984 O THR A 66 11.060 1.453 0.076 1.00 0.00 O ATOM 985 CB THR A 66 13.567 2.989 -1.440 1.00 0.00 C ATOM 986 OG1 THR A 66 12.669 4.084 -1.329 1.00 0.00 O ATOM 987 CG2 THR A 66 14.468 3.184 -2.660 1.00 0.00 C ATOM 0 H THR A 66 11.449 2.875 -2.800 1.00 0.00 H new ATOM 0 HA THR A 66 13.428 0.918 -1.989 1.00 0.00 H new ATOM 0 HB THR A 66 14.183 2.933 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.178 4.915 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.037 4.107 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.155 2.342 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.855 3.243 -3.559 1.00 0.00 H new ATOM 995 N GLN A 67 13.042 0.619 0.558 1.00 0.00 N ATOM 996 CA GLN A 67 12.587 0.125 1.892 1.00 0.00 C ATOM 997 C GLN A 67 11.870 1.244 2.656 1.00 0.00 C ATOM 998 O GLN A 67 10.829 1.031 3.247 1.00 0.00 O ATOM 999 CB GLN A 67 13.813 -0.366 2.702 1.00 0.00 C ATOM 1000 CG GLN A 67 13.479 -1.676 3.442 1.00 0.00 C ATOM 1001 CD GLN A 67 14.419 -1.858 4.635 1.00 0.00 C ATOM 1002 OE1 GLN A 67 15.428 -2.527 4.535 1.00 0.00 O ATOM 1003 NE2 GLN A 67 14.123 -1.285 5.766 1.00 0.00 N ATOM 0 H GLN A 67 14.019 0.424 0.339 1.00 0.00 H new ATOM 0 HA GLN A 67 11.890 -0.701 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.659 -0.524 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.113 0.398 3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.444 -1.656 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.574 -2.522 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.275 -0.724 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.739 -1.397 6.571 1.00 0.00 H new ATOM 1012 N ASP A 68 12.417 2.426 2.664 1.00 0.00 N ATOM 1013 CA ASP A 68 11.765 3.539 3.405 1.00 0.00 C ATOM 1014 C ASP A 68 10.448 3.901 2.725 1.00 0.00 C ATOM 1015 O ASP A 68 9.426 4.022 3.369 1.00 0.00 O ATOM 1016 CB ASP A 68 12.688 4.758 3.425 1.00 0.00 C ATOM 1017 CG ASP A 68 12.024 5.889 4.212 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.467 5.608 5.260 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.083 7.018 3.752 1.00 0.00 O ATOM 0 H ASP A 68 13.287 2.669 2.190 1.00 0.00 H new ATOM 0 HA ASP A 68 11.568 3.224 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.643 4.496 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.899 5.084 2.407 1.00 0.00 H new ATOM 1024 N GLN A 69 10.450 4.076 1.434 1.00 0.00 N ATOM 1025 CA GLN A 69 9.181 4.429 0.748 1.00 0.00 C ATOM 1026 C GLN A 69 8.140 3.352 1.052 1.00 0.00 C ATOM 1027 O GLN A 69 6.965 3.627 1.199 1.00 0.00 O ATOM 1028 CB GLN A 69 9.414 4.509 -0.763 1.00 0.00 C ATOM 1029 CG GLN A 69 10.257 5.743 -1.087 1.00 0.00 C ATOM 1030 CD GLN A 69 10.663 5.710 -2.562 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.801 4.652 -3.143 1.00 0.00 O ATOM 1032 NE2 GLN A 69 10.861 6.833 -3.197 1.00 0.00 N ATOM 0 H GLN A 69 11.268 3.991 0.830 1.00 0.00 H new ATOM 0 HA GLN A 69 8.827 5.397 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.920 3.609 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.459 4.561 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.690 6.650 -0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.145 5.767 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.745 7.722 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.131 6.822 -4.180 1.00 0.00 H new ATOM 1041 N ILE A 70 8.572 2.119 1.151 1.00 0.00 N ATOM 1042 CA ILE A 70 7.635 1.001 1.450 1.00 0.00 C ATOM 1043 C ILE A 70 7.162 1.086 2.905 1.00 0.00 C ATOM 1044 O ILE A 70 5.986 0.964 3.185 1.00 0.00 O ATOM 1045 CB ILE A 70 8.365 -0.336 1.226 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.527 -0.581 -0.277 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.560 -1.490 1.843 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.461 -1.772 -0.507 1.00 0.00 C ATOM 0 H ILE A 70 9.546 1.840 1.035 1.00 0.00 H new ATOM 0 HA ILE A 70 6.768 1.069 0.792 1.00 0.00 H new ATOM 0 HB ILE A 70 9.344 -0.289 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.555 -0.776 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.931 0.309 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.087 -2.430 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.445 -1.322 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.576 -1.538 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.574 -1.944 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.436 -1.560 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.038 -2.661 -0.039 1.00 0.00 H new ATOM 1060 N GLN A 71 8.053 1.297 3.837 1.00 0.00 N ATOM 1061 CA GLN A 71 7.642 1.391 5.264 1.00 0.00 C ATOM 1062 C GLN A 71 6.654 2.544 5.428 1.00 0.00 C ATOM 1063 O GLN A 71 5.652 2.425 6.105 1.00 0.00 O ATOM 1064 CB GLN A 71 8.879 1.652 6.126 1.00 0.00 C ATOM 1065 CG GLN A 71 8.492 1.608 7.604 1.00 0.00 C ATOM 1066 CD GLN A 71 9.747 1.757 8.466 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.874 1.245 8.052 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.702 2.347 9.527 1.00 0.00 N flip ATOM 0 H GLN A 71 9.053 1.409 3.668 1.00 0.00 H new ATOM 0 HA GLN A 71 7.169 0.460 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.644 0.904 5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.307 2.624 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.786 2.407 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.991 0.667 7.832 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.822 2.747 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.545 2.442 10.094 1.00 0.00 H new ATOM 1077 N ASN A 72 6.924 3.660 4.807 1.00 0.00 N ATOM 1078 CA ASN A 72 5.994 4.815 4.922 1.00 0.00 C ATOM 1079 C ASN A 72 4.645 4.412 4.332 1.00 0.00 C ATOM 1080 O ASN A 72 3.602 4.862 4.764 1.00 0.00 O ATOM 1081 CB ASN A 72 6.560 6.010 4.151 1.00 0.00 C ATOM 1082 CG ASN A 72 7.891 6.434 4.776 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.534 5.655 5.451 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.335 7.646 4.579 1.00 0.00 N ATOM 0 H ASN A 72 7.747 3.820 4.226 1.00 0.00 H new ATOM 0 HA ASN A 72 5.874 5.096 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.705 5.745 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.854 6.840 4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.221 7.938 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.796 8.301 4.012 1.00 0.00 H new ATOM 1091 N ALA A 73 4.663 3.563 3.342 1.00 0.00 N ATOM 1092 CA ALA A 73 3.391 3.120 2.711 1.00 0.00 C ATOM 1093 C ALA A 73 2.721 2.067 3.595 1.00 0.00 C ATOM 1094 O ALA A 73 1.538 2.131 3.866 1.00 0.00 O ATOM 1095 CB ALA A 73 3.694 2.519 1.338 1.00 0.00 C ATOM 0 H ALA A 73 5.508 3.156 2.942 1.00 0.00 H new ATOM 0 HA ALA A 73 2.722 3.973 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.765 2.192 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.172 3.270 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.362 1.665 1.454 1.00 0.00 H new ATOM 1101 N GLN A 74 3.468 1.093 4.044 1.00 0.00 N ATOM 1102 CA GLN A 74 2.884 0.028 4.906 1.00 0.00 C ATOM 1103 C GLN A 74 2.257 0.650 6.155 1.00 0.00 C ATOM 1104 O GLN A 74 1.228 0.207 6.627 1.00 0.00 O ATOM 1105 CB GLN A 74 3.988 -0.944 5.326 1.00 0.00 C ATOM 1106 CG GLN A 74 4.406 -1.796 4.126 1.00 0.00 C ATOM 1107 CD GLN A 74 5.491 -2.787 4.554 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.286 -3.222 3.746 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.557 -3.164 5.802 1.00 0.00 N ATOM 0 H GLN A 74 4.464 0.990 3.848 1.00 0.00 H new ATOM 0 HA GLN A 74 2.115 -0.503 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.846 -0.392 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.634 -1.585 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.544 -2.333 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.778 -1.157 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.889 -2.799 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.276 -3.824 6.098 1.00 0.00 H new ATOM 1118 N TYR A 75 2.867 1.665 6.703 1.00 0.00 N ATOM 1119 CA TYR A 75 2.294 2.293 7.927 1.00 0.00 C ATOM 1120 C TYR A 75 1.014 3.048 7.567 1.00 0.00 C ATOM 1121 O TYR A 75 0.079 3.096 8.342 1.00 0.00 O ATOM 1122 CB TYR A 75 3.311 3.252 8.548 1.00 0.00 C ATOM 1123 CG TYR A 75 2.794 3.741 9.880 1.00 0.00 C ATOM 1124 CD1 TYR A 75 1.974 4.874 9.939 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.136 3.062 11.056 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.495 5.328 11.174 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.657 3.516 12.291 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.837 4.648 12.350 1.00 0.00 C ATOM 1129 OH TYR A 75 1.365 5.096 13.567 1.00 0.00 O ATOM 0 H TYR A 75 3.731 2.084 6.359 1.00 0.00 H new ATOM 0 HA TYR A 75 2.058 1.514 8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.268 2.748 8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.485 4.096 7.881 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.711 5.398 9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.769 2.188 11.010 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.862 6.202 11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.921 2.992 13.198 1.00 0.00 H new ATOM 0 HH TYR A 75 1.695 4.511 14.281 1.00 0.00 H new ATOM 1139 N LEU A 76 0.948 3.635 6.402 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.294 4.368 6.027 1.00 0.00 C ATOM 1141 C LEU A 76 -1.386 3.352 5.689 1.00 0.00 C ATOM 1142 O LEU A 76 -2.562 3.654 5.731 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.032 5.282 4.824 1.00 0.00 C ATOM 1144 CG LEU A 76 0.979 6.381 5.202 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.620 6.950 3.933 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.273 7.519 5.954 1.00 0.00 C ATOM 0 H LEU A 76 1.690 3.639 5.702 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.616 4.989 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.352 4.696 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.966 5.735 4.492 1.00 0.00 H new ATOM 0 HG LEU A 76 1.744 5.943 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.335 7.727 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.136 6.153 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.846 7.375 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.000 8.288 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.500 7.951 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.182 7.127 6.863 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.010 2.140 5.380 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.032 1.101 5.071 1.00 0.00 C ATOM 1160 C LEU A 77 -2.630 0.607 6.392 1.00 0.00 C ATOM 1161 O LEU A 77 -3.831 0.485 6.540 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.374 -0.071 4.319 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.263 0.253 2.814 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.227 -0.673 2.169 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.617 0.050 2.108 1.00 0.00 C ATOM 0 H LEU A 77 -0.041 1.826 5.328 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.816 1.520 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.383 -0.265 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.961 -0.978 4.460 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.961 1.295 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.147 -0.445 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.742 -0.523 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.537 -1.710 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.514 0.284 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.934 -0.987 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.362 0.708 2.554 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.794 0.322 7.353 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.292 -0.164 8.671 1.00 0.00 C ATOM 1179 C GLN A 78 -3.160 0.909 9.338 1.00 0.00 C ATOM 1180 O GLN A 78 -4.142 0.611 9.988 1.00 0.00 O ATOM 1181 CB GLN A 78 -1.091 -0.472 9.572 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.572 -1.179 10.841 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.365 -1.638 11.660 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.681 -2.120 11.046 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 -0.373 -1.557 12.873 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.780 0.406 7.281 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.892 -1.062 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.377 -1.101 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.572 0.451 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.191 -0.505 11.433 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.194 -2.035 10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.190 -1.180 13.354 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.437 -1.866 13.410 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.799 2.160 9.197 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.609 3.238 9.841 1.00 0.00 C ATOM 1196 C ASN A 79 -4.868 3.518 9.016 1.00 0.00 C ATOM 1197 O ASN A 79 -5.853 3.993 9.544 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.779 4.513 10.006 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.575 5.541 10.811 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.215 6.407 10.248 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.563 5.482 12.114 1.00 0.00 N ATOM 0 H ASN A 79 -1.987 2.479 8.669 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.910 2.899 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.841 4.286 10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.522 4.921 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.091 6.163 12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.026 4.755 12.587 1.00 0.00 H new ATOM 1208 N SER A 80 -4.877 3.238 7.741 1.00 0.00 N ATOM 1209 CA SER A 80 -6.125 3.521 6.978 1.00 0.00 C ATOM 1210 C SER A 80 -7.216 2.614 7.545 1.00 0.00 C ATOM 1211 O SER A 80 -8.362 2.998 7.666 1.00 0.00 O ATOM 1212 CB SER A 80 -5.924 3.245 5.487 1.00 0.00 C ATOM 1213 OG SER A 80 -7.189 3.034 4.877 1.00 0.00 O ATOM 0 H SER A 80 -4.103 2.839 7.209 1.00 0.00 H new ATOM 0 HA SER A 80 -6.403 4.570 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.415 4.085 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.290 2.369 5.349 1.00 0.00 H new ATOM 0 HG SER A 80 -7.206 3.469 3.999 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.851 1.406 7.893 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.834 0.433 8.461 1.00 0.00 C ATOM 1221 C VAL A 81 -8.753 1.147 9.451 1.00 0.00 C ATOM 1222 O VAL A 81 -9.960 1.025 9.388 1.00 0.00 O ATOM 1223 CB VAL A 81 -7.083 -0.680 9.198 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -8.065 -1.790 9.575 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.991 -1.253 8.294 1.00 0.00 C ATOM 0 H VAL A 81 -5.900 1.048 7.806 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.426 0.009 7.650 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.626 -0.272 10.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.533 -2.584 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.842 -1.384 10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.521 -2.195 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.459 -2.044 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.444 -1.661 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.290 -0.463 8.024 1.00 0.00 H new