USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -110:sc= -0.199 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.603 K(o=0.4,f=-0.75) USER MOD Set 2.1: A 44 ASN : amide:sc= -2.67! C(o=-2.4!,f=-6.4!) USER MOD Set 2.2: A 56 TYR OH : rot -141:sc= 0.273 USER MOD Set 3.1: A 32 SER OG : rot 101:sc= -1.2! USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.974 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.13 F(o=-4!,f=-1.1) USER MOD Single : A 19 HIS :FLIP no HD1:sc=-0.00165 F(o=-1.1,f=-0.0017) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.371 F(o=-3.3!,f=-0.37) USER MOD Single : A 26 ASN : amide:sc= 0.997 K(o=1,f=-0.061) USER MOD Single : A 39 GLN :FLIP amide:sc= -3.38! C(o=-5.2!,f=-3.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.69! C(o=-3.9!,f=-2.7!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0048 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 100:sc= -1.84! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0276 F(o=-0.74,f=-0.028) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.257) USER MOD Single : A 78 MET CE :methyl 151:sc= -1.97! (180deg=-3.09!) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.68! C(o=-5.2!,f=-1.7!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.154 F(o=-1.6,f=-0.15) USER MOD Single : A 85 MET CE :methyl -151:sc= -0.658 (180deg=-2.54!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 167:sc= -0.0341 (180deg=-0.297) USER MOD Single : A 90 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-3.8!) USER MOD Single : A 95 LYS NZ :NH3+ 147:sc= -0.733 (180deg=-2.21!) USER MOD Single : A 98 THR OG1 : rot -29:sc= 0.712 USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.893) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.61! USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.490 -9.967 -4.187 1.00 0.00 N ATOM 154 CA VAL A 12 -8.300 -9.407 -5.499 1.00 0.00 C ATOM 155 C VAL A 12 -6.903 -8.834 -5.639 1.00 0.00 C ATOM 156 O VAL A 12 -6.584 -7.818 -5.040 1.00 0.00 O ATOM 157 CB VAL A 12 -9.356 -8.311 -5.822 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.177 -7.763 -7.238 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.764 -8.851 -5.636 1.00 0.00 C ATOM 0 HA VAL A 12 -8.429 -10.218 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.203 -7.489 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.931 -7.000 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.184 -7.325 -7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.289 -8.573 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.487 -8.069 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.920 -9.698 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.896 -9.174 -4.603 1.00 0.00 H new ATOM 169 N VAL A 13 -6.071 -9.519 -6.374 1.00 0.00 N ATOM 170 CA VAL A 13 -4.742 -9.029 -6.679 1.00 0.00 C ATOM 171 C VAL A 13 -4.859 -8.265 -7.977 1.00 0.00 C ATOM 172 O VAL A 13 -5.287 -8.831 -8.987 1.00 0.00 O ATOM 173 CB VAL A 13 -3.726 -10.185 -6.859 1.00 0.00 C ATOM 174 CG1 VAL A 13 -2.308 -9.656 -7.071 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.781 -11.154 -5.687 1.00 0.00 C ATOM 0 H VAL A 13 -6.287 -10.429 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.379 -8.409 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.010 -10.732 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.622 -10.494 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.282 -9.032 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.007 -9.064 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.057 -11.954 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.544 -10.624 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.782 -11.580 -5.613 1.00 0.00 H new ATOM 185 N GLN A 14 -4.520 -7.012 -7.948 1.00 0.00 N ATOM 186 CA GLN A 14 -4.700 -6.145 -9.093 1.00 0.00 C ATOM 187 C GLN A 14 -3.485 -5.253 -9.266 1.00 0.00 C ATOM 188 O GLN A 14 -2.744 -5.002 -8.286 1.00 0.00 O ATOM 189 CB GLN A 14 -5.994 -5.316 -8.884 1.00 0.00 C ATOM 190 CG GLN A 14 -5.996 -4.439 -7.620 1.00 0.00 C ATOM 191 CD GLN A 14 -5.611 -2.994 -7.879 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.351 -2.699 -7.846 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.455 -2.159 -8.127 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.110 -6.553 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.802 -6.733 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.145 -4.677 -9.754 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.843 -5.998 -8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.989 -4.466 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.305 -4.865 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.441 -2.420 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.179 -1.195 -8.316 1.00 0.00 H new ATOM 202 N ARG A 15 -3.268 -4.766 -10.466 1.00 0.00 N ATOM 203 CA ARG A 15 -2.167 -3.886 -10.718 1.00 0.00 C ATOM 204 C ARG A 15 -2.681 -2.462 -10.824 1.00 0.00 C ATOM 205 O ARG A 15 -3.786 -2.226 -11.311 1.00 0.00 O ATOM 206 CB ARG A 15 -1.357 -4.336 -11.975 1.00 0.00 C ATOM 207 CG ARG A 15 -1.995 -4.119 -13.357 1.00 0.00 C ATOM 208 CD ARG A 15 -1.777 -2.686 -13.850 1.00 0.00 C ATOM 209 NE ARG A 15 -2.191 -2.468 -15.234 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.490 -1.268 -15.753 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.696 -0.221 -14.954 1.00 0.00 N ATOM 212 NH2 ARG A 15 -2.644 -1.129 -17.059 1.00 0.00 N ATOM 0 H ARG A 15 -3.846 -4.970 -11.281 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.465 -3.928 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.401 -3.812 -11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.140 -5.399 -11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.567 -4.821 -14.072 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.063 -4.329 -13.304 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.328 -2.002 -13.204 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.721 -2.435 -13.753 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.257 -3.282 -15.846 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.627 -0.330 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.923 0.689 -15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.535 -1.935 -17.674 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.871 -0.215 -17.451 1.00 0.00 H new ATOM 226 N VAL A 16 -1.909 -1.543 -10.360 1.00 0.00 N ATOM 227 CA VAL A 16 -2.271 -0.157 -10.375 1.00 0.00 C ATOM 228 C VAL A 16 -1.155 0.629 -11.046 1.00 0.00 C ATOM 229 O VAL A 16 -0.014 0.160 -11.079 1.00 0.00 O ATOM 230 CB VAL A 16 -2.504 0.340 -8.928 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.237 0.463 -8.126 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.361 1.570 -8.862 1.00 0.00 C ATOM 0 H VAL A 16 -0.993 -1.729 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.196 -0.014 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.077 -0.449 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.474 0.816 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.751 -0.510 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.567 1.173 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.488 1.870 -7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.882 2.377 -9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.336 1.358 -9.300 1.00 0.00 H new ATOM 242 N GLU A 17 -1.462 1.782 -11.584 1.00 0.00 N ATOM 243 CA GLU A 17 -0.462 2.572 -12.258 1.00 0.00 C ATOM 244 C GLU A 17 -0.580 4.038 -11.891 1.00 0.00 C ATOM 245 O GLU A 17 -1.478 4.740 -12.333 1.00 0.00 O ATOM 246 CB GLU A 17 -0.507 2.326 -13.773 1.00 0.00 C ATOM 247 CG GLU A 17 0.514 3.104 -14.583 1.00 0.00 C ATOM 248 CD GLU A 17 0.639 2.571 -16.001 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.362 2.560 -16.746 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.731 2.090 -16.377 1.00 0.00 O ATOM 0 H GLU A 17 -2.395 2.195 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 17 0.523 2.253 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.359 1.262 -13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.503 2.577 -14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.228 4.155 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.484 3.053 -14.089 1.00 0.00 H new ATOM 257 N ILE A 18 0.321 4.465 -11.051 1.00 0.00 N ATOM 258 CA ILE A 18 0.361 5.824 -10.579 1.00 0.00 C ATOM 259 C ILE A 18 1.267 6.654 -11.463 1.00 0.00 C ATOM 260 O ILE A 18 2.396 6.258 -11.742 1.00 0.00 O ATOM 261 CB ILE A 18 0.811 5.934 -9.064 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.364 5.758 -8.089 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.563 7.219 -8.755 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.848 4.353 -7.880 1.00 0.00 C ATOM 0 H ILE A 18 1.058 3.873 -10.669 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.656 6.212 -10.632 1.00 0.00 H new ATOM 0 HB ILE A 18 1.505 5.106 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.071 6.166 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.200 6.358 -8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.843 7.232 -7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.461 7.272 -9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.924 8.075 -8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.678 4.355 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.183 3.938 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.036 3.743 -7.484 1.00 0.00 H new ATOM 276 N HIS A 19 0.756 7.771 -11.915 1.00 0.00 N ATOM 277 CA HIS A 19 1.514 8.710 -12.713 1.00 0.00 C ATOM 278 C HIS A 19 2.139 9.766 -11.797 1.00 0.00 C ATOM 279 O HIS A 19 1.695 9.950 -10.663 1.00 0.00 O ATOM 280 CB HIS A 19 0.611 9.403 -13.751 1.00 0.00 C ATOM 281 CG HIS A 19 0.180 8.604 -14.946 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.287 7.288 -15.216 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.472 9.154 -16.024 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.298 7.016 -16.452 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.738 8.177 -16.894 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.206 8.060 -11.740 1.00 0.00 H new ATOM 0 HA HIS A 19 2.295 8.164 -13.243 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.286 9.748 -13.237 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.133 10.289 -14.111 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.725 10.197 -16.146 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.374 6.057 -16.943 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.218 8.311 -17.784 1.00 0.00 H new ATOM 293 N LYS A 20 3.166 10.430 -12.296 1.00 0.00 N ATOM 294 CA LYS A 20 3.881 11.499 -11.579 1.00 0.00 C ATOM 295 C LYS A 20 2.965 12.596 -10.991 1.00 0.00 C ATOM 296 O LYS A 20 2.134 13.182 -11.696 1.00 0.00 O ATOM 297 CB LYS A 20 4.970 12.111 -12.488 1.00 0.00 C ATOM 298 CG LYS A 20 4.537 12.364 -13.937 1.00 0.00 C ATOM 299 CD LYS A 20 5.649 13.034 -14.739 1.00 0.00 C ATOM 300 CE LYS A 20 5.374 13.032 -16.249 1.00 0.00 C ATOM 301 NZ LYS A 20 4.088 13.665 -16.617 1.00 0.00 N ATOM 0 H LYS A 20 3.542 10.247 -13.226 1.00 0.00 H new ATOM 0 HA LYS A 20 4.346 11.026 -10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.297 13.055 -12.052 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.834 11.446 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.265 11.419 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.647 12.994 -13.948 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.769 14.062 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.591 12.521 -14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.185 13.553 -16.758 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.380 12.003 -16.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.997 13.690 -17.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.303 13.115 -16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.059 14.635 -16.243 1.00 0.00 H new ATOM 315 N LEU A 21 3.095 12.818 -9.695 1.00 0.00 N ATOM 316 CA LEU A 21 2.369 13.861 -8.984 1.00 0.00 C ATOM 317 C LEU A 21 3.337 14.718 -8.168 1.00 0.00 C ATOM 318 O LEU A 21 4.173 14.194 -7.440 1.00 0.00 O ATOM 319 CB LEU A 21 1.362 13.243 -8.009 1.00 0.00 C ATOM 320 CG LEU A 21 0.614 14.251 -7.117 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.337 15.109 -7.925 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.108 13.562 -5.986 1.00 0.00 C ATOM 0 H LEU A 21 3.716 12.273 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 21 1.853 14.470 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.629 12.673 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.887 12.535 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 21 1.364 14.909 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.848 15.809 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.224 15.664 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.072 14.473 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.624 14.305 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.834 12.858 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.612 13.025 -5.369 1.00 0.00 H new ATOM 334 N ARG A 22 3.226 16.013 -8.275 1.00 0.00 N ATOM 335 CA ARG A 22 4.047 16.893 -7.470 1.00 0.00 C ATOM 336 C ARG A 22 3.311 17.248 -6.197 1.00 0.00 C ATOM 337 O ARG A 22 2.135 17.619 -6.241 1.00 0.00 O ATOM 338 CB ARG A 22 4.409 18.170 -8.229 1.00 0.00 C ATOM 339 CG ARG A 22 5.317 17.943 -9.412 1.00 0.00 C ATOM 340 CD ARG A 22 5.614 19.236 -10.137 1.00 0.00 C ATOM 341 NE ARG A 22 6.551 19.025 -11.234 1.00 0.00 N ATOM 342 CZ ARG A 22 7.100 19.984 -11.984 1.00 0.00 C ATOM 343 NH1 ARG A 22 6.765 21.264 -11.816 1.00 0.00 N ATOM 344 NH2 ARG A 22 7.976 19.657 -12.915 1.00 0.00 N ATOM 0 H ARG A 22 2.580 16.487 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 22 4.973 16.369 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.492 18.648 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.891 18.865 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.250 17.491 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.851 17.237 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.687 19.660 -10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.028 19.961 -9.437 1.00 0.00 H new ATOM 0 HE ARG A 22 6.810 18.062 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.080 21.523 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.194 21.984 -12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.228 18.679 -13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.401 20.382 -13.493 1.00 0.00 H new ATOM 358 N GLN A 23 3.966 17.100 -5.062 1.00 0.00 N ATOM 359 CA GLN A 23 3.373 17.483 -3.823 1.00 0.00 C ATOM 360 C GLN A 23 4.370 18.311 -3.095 1.00 0.00 C ATOM 361 O GLN A 23 5.395 17.790 -2.648 1.00 0.00 O ATOM 362 CB GLN A 23 2.972 16.282 -2.964 1.00 0.00 C ATOM 363 CG GLN A 23 1.994 15.324 -3.624 1.00 0.00 C ATOM 364 CD GLN A 23 1.231 14.472 -2.623 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.772 13.347 -2.252 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 0.156 14.845 -2.176 1.00 0.00 N flip ATOM 0 H GLN A 23 4.908 16.716 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 23 2.456 18.035 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.872 15.730 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.531 16.648 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.284 15.894 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.538 14.672 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.245 15.731 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.340 14.270 -1.495 1.00 0.00 H new ATOM 375 N GLY A 24 4.126 19.591 -3.058 1.00 0.00 N ATOM 376 CA GLY A 24 5.007 20.494 -2.389 1.00 0.00 C ATOM 377 C GLY A 24 6.265 20.705 -3.178 1.00 0.00 C ATOM 378 O GLY A 24 6.239 21.307 -4.254 1.00 0.00 O ATOM 0 H GLY A 24 3.314 20.032 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.506 21.450 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.254 20.102 -1.402 1.00 0.00 H new ATOM 382 N GLU A 25 7.348 20.175 -2.683 1.00 0.00 N ATOM 383 CA GLU A 25 8.632 20.310 -3.334 1.00 0.00 C ATOM 384 C GLU A 25 9.138 18.946 -3.761 1.00 0.00 C ATOM 385 O GLU A 25 10.323 18.766 -4.059 1.00 0.00 O ATOM 386 CB GLU A 25 9.620 20.955 -2.370 1.00 0.00 C ATOM 387 CG GLU A 25 9.181 22.319 -1.892 1.00 0.00 C ATOM 388 CD GLU A 25 10.126 22.920 -0.908 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.019 22.611 0.290 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.984 23.725 -1.307 1.00 0.00 O ATOM 0 H GLU A 25 7.371 19.636 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 25 8.528 20.939 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.756 20.302 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.590 21.043 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.084 22.985 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.193 22.239 -1.438 1.00 0.00 H new ATOM 397 N ASN A 26 8.243 17.991 -3.817 1.00 0.00 N ATOM 398 CA ASN A 26 8.622 16.629 -4.131 1.00 0.00 C ATOM 399 C ASN A 26 7.747 16.127 -5.233 1.00 0.00 C ATOM 400 O ASN A 26 6.749 16.754 -5.595 1.00 0.00 O ATOM 401 CB ASN A 26 8.393 15.679 -2.937 1.00 0.00 C ATOM 402 CG ASN A 26 8.538 16.322 -1.593 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.616 16.357 -1.001 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.442 16.849 -1.117 1.00 0.00 N ATOM 0 H ASN A 26 7.246 18.128 -3.650 1.00 0.00 H new ATOM 0 HA ASN A 26 9.678 16.641 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.393 15.253 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.099 14.851 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.453 17.319 -0.212 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.575 16.791 -1.651 1.00 0.00 H new ATOM 411 N LEU A 27 8.081 14.980 -5.706 1.00 0.00 N ATOM 412 CA LEU A 27 7.327 14.273 -6.690 1.00 0.00 C ATOM 413 C LEU A 27 6.975 12.984 -5.985 1.00 0.00 C ATOM 414 O LEU A 27 7.859 12.257 -5.578 1.00 0.00 O ATOM 415 CB LEU A 27 8.230 14.029 -7.933 1.00 0.00 C ATOM 416 CG LEU A 27 7.598 13.504 -9.246 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.987 12.118 -9.091 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.588 14.493 -9.786 1.00 0.00 C ATOM 0 H LEU A 27 8.921 14.484 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 27 6.440 14.794 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.728 14.971 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.006 13.322 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 27 8.406 13.403 -9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.559 11.801 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.760 11.412 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.204 12.148 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.156 14.105 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.798 14.644 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.082 15.443 -9.988 1.00 0.00 H new ATOM 430 N ILE A 28 5.720 12.752 -5.748 1.00 0.00 N ATOM 431 CA ILE A 28 5.336 11.603 -4.994 1.00 0.00 C ATOM 432 C ILE A 28 4.267 10.859 -5.750 1.00 0.00 C ATOM 433 O ILE A 28 3.622 11.409 -6.632 1.00 0.00 O ATOM 434 CB ILE A 28 4.768 11.997 -3.590 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.417 13.305 -3.093 1.00 0.00 C ATOM 436 CG2 ILE A 28 5.000 10.864 -2.583 1.00 0.00 C ATOM 437 CD1 ILE A 28 5.079 13.692 -1.675 1.00 0.00 C ATOM 0 H ILE A 28 4.950 13.341 -6.065 1.00 0.00 H new ATOM 0 HA ILE A 28 6.221 10.983 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 28 3.694 12.161 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.499 13.210 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.115 14.116 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.600 11.153 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.497 9.961 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.069 10.671 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.584 14.624 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.001 13.826 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.407 12.906 -0.995 1.00 0.00 H new ATOM 449 N LEU A 29 4.054 9.640 -5.361 1.00 0.00 N ATOM 450 CA LEU A 29 3.044 8.782 -5.932 1.00 0.00 C ATOM 451 C LEU A 29 1.681 9.086 -5.297 1.00 0.00 C ATOM 452 O LEU A 29 0.672 8.434 -5.573 1.00 0.00 O ATOM 453 CB LEU A 29 3.450 7.320 -5.698 1.00 0.00 C ATOM 454 CG LEU A 29 4.550 6.706 -6.612 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.837 7.533 -6.661 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.863 5.292 -6.158 1.00 0.00 C ATOM 0 H LEU A 29 4.590 9.195 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 29 2.959 8.960 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.787 7.229 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.555 6.706 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 29 4.147 6.702 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.558 7.045 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.615 8.529 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.256 7.614 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.633 4.866 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.219 5.311 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.962 4.682 -6.219 1.00 0.00 H new ATOM 468 N GLY A 30 1.679 10.070 -4.431 1.00 0.00 N ATOM 469 CA GLY A 30 0.478 10.524 -3.790 1.00 0.00 C ATOM 470 C GLY A 30 0.167 9.804 -2.491 1.00 0.00 C ATOM 471 O GLY A 30 -0.186 10.441 -1.485 1.00 0.00 O ATOM 0 H GLY A 30 2.518 10.579 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.565 11.592 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.360 10.395 -4.476 1.00 0.00 H new ATOM 475 N PHE A 31 0.298 8.498 -2.509 1.00 0.00 N ATOM 476 CA PHE A 31 -0.058 7.675 -1.386 1.00 0.00 C ATOM 477 C PHE A 31 1.121 7.475 -0.391 1.00 0.00 C ATOM 478 O PHE A 31 2.274 7.771 -0.716 1.00 0.00 O ATOM 479 CB PHE A 31 -0.602 6.342 -1.908 1.00 0.00 C ATOM 480 CG PHE A 31 0.424 5.461 -2.606 1.00 0.00 C ATOM 481 CD1 PHE A 31 1.220 4.582 -1.889 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.581 5.521 -3.976 1.00 0.00 C ATOM 483 CE1 PHE A 31 2.148 3.780 -2.524 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.510 4.721 -4.619 1.00 0.00 C ATOM 485 CZ PHE A 31 2.293 3.850 -3.891 1.00 0.00 C ATOM 0 H PHE A 31 0.657 7.978 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.833 8.183 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.027 5.787 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.417 6.546 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.113 4.523 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.028 6.200 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.759 3.099 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.622 4.779 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.018 3.225 -4.392 1.00 0.00 H new ATOM 495 N SER A 32 0.802 7.003 0.812 1.00 0.00 N ATOM 496 CA SER A 32 1.772 6.728 1.864 1.00 0.00 C ATOM 497 C SER A 32 1.803 5.232 2.153 1.00 0.00 C ATOM 498 O SER A 32 1.129 4.461 1.482 1.00 0.00 O ATOM 499 CB SER A 32 1.326 7.422 3.123 1.00 0.00 C ATOM 500 OG SER A 32 0.068 6.929 3.528 1.00 0.00 O ATOM 0 H SER A 32 -0.159 6.797 1.086 1.00 0.00 H new ATOM 0 HA SER A 32 2.755 7.075 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.059 7.264 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.267 8.497 2.954 1.00 0.00 H new ATOM 0 HG SER A 32 0.189 6.282 4.254 1.00 0.00 H new ATOM 506 N ILE A 33 2.542 4.819 3.194 1.00 0.00 N ATOM 507 CA ILE A 33 2.591 3.417 3.559 1.00 0.00 C ATOM 508 C ILE A 33 2.523 3.262 5.083 1.00 0.00 C ATOM 509 O ILE A 33 2.737 4.233 5.817 1.00 0.00 O ATOM 510 CB ILE A 33 3.862 2.675 3.033 1.00 0.00 C ATOM 511 CG1 ILE A 33 5.111 2.976 3.884 1.00 0.00 C ATOM 512 CG2 ILE A 33 4.123 3.013 1.575 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.362 2.281 3.404 1.00 0.00 C ATOM 0 H ILE A 33 3.102 5.435 3.783 1.00 0.00 H new ATOM 0 HA ILE A 33 1.726 2.956 3.082 1.00 0.00 H new ATOM 0 HB ILE A 33 3.660 1.607 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.284 4.052 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.916 2.680 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.013 2.484 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.267 2.710 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.277 4.087 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.196 2.543 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.210 1.202 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.584 2.595 2.384 1.00 0.00 H new ATOM 525 N GLY A 34 2.247 2.054 5.546 1.00 0.00 N ATOM 526 CA GLY A 34 2.186 1.785 6.951 1.00 0.00 C ATOM 527 C GLY A 34 3.349 0.955 7.376 1.00 0.00 C ATOM 528 O GLY A 34 3.888 1.133 8.458 1.00 0.00 O ATOM 0 H GLY A 34 2.062 1.245 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.179 2.723 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.257 1.267 7.188 1.00 0.00 H new ATOM 532 N GLY A 35 3.794 0.079 6.510 1.00 0.00 N ATOM 533 CA GLY A 35 4.918 -0.727 6.869 1.00 0.00 C ATOM 534 C GLY A 35 4.643 -2.196 6.833 1.00 0.00 C ATOM 535 O GLY A 35 3.537 -2.610 7.044 1.00 0.00 O ATOM 0 H GLY A 35 3.406 -0.087 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.744 -0.505 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.245 -0.452 7.872 1.00 0.00 H new ATOM 539 N GLY A 36 5.683 -2.966 6.576 1.00 0.00 N ATOM 540 CA GLY A 36 5.549 -4.399 6.510 1.00 0.00 C ATOM 541 C GLY A 36 6.114 -5.129 7.707 1.00 0.00 C ATOM 542 O GLY A 36 5.680 -4.933 8.814 1.00 0.00 O ATOM 0 H GLY A 36 6.628 -2.618 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.493 -4.650 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.048 -4.758 5.610 1.00 0.00 H new ATOM 546 N ILE A 37 7.144 -5.926 7.471 1.00 0.00 N ATOM 547 CA ILE A 37 7.759 -6.804 8.515 1.00 0.00 C ATOM 548 C ILE A 37 8.530 -6.006 9.556 1.00 0.00 C ATOM 549 O ILE A 37 8.986 -6.526 10.566 1.00 0.00 O ATOM 550 CB ILE A 37 8.705 -7.875 7.908 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.067 -7.261 7.483 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.025 -8.566 6.724 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.014 -6.278 6.368 1.00 0.00 C ATOM 0 H ILE A 37 7.594 -5.999 6.558 1.00 0.00 H new ATOM 0 HA ILE A 37 6.920 -7.306 8.997 1.00 0.00 H new ATOM 0 HB ILE A 37 8.912 -8.618 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.511 -6.774 8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.736 -8.072 7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.697 -9.315 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.108 -9.049 7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.785 -7.827 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.019 -5.915 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.606 -6.758 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.378 -5.440 6.652 1.00 0.00 H new ATOM 565 N ASP A 38 8.690 -4.766 9.259 1.00 0.00 N ATOM 566 CA ASP A 38 9.363 -3.820 10.124 1.00 0.00 C ATOM 567 C ASP A 38 8.378 -3.344 11.181 1.00 0.00 C ATOM 568 O ASP A 38 8.747 -2.738 12.181 1.00 0.00 O ATOM 569 CB ASP A 38 9.868 -2.649 9.258 1.00 0.00 C ATOM 570 CG ASP A 38 10.526 -1.509 10.010 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.469 -1.743 10.755 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.132 -0.346 9.775 1.00 0.00 O ATOM 0 H ASP A 38 8.353 -4.355 8.388 1.00 0.00 H new ATOM 0 HA ASP A 38 10.215 -4.275 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.581 -3.040 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.025 -2.249 8.694 1.00 0.00 H new ATOM 577 N GLN A 39 7.105 -3.642 10.944 1.00 0.00 N ATOM 578 CA GLN A 39 6.045 -3.240 11.846 1.00 0.00 C ATOM 579 C GLN A 39 5.474 -4.515 12.439 1.00 0.00 C ATOM 580 O GLN A 39 5.959 -5.624 12.120 1.00 0.00 O ATOM 581 CB GLN A 39 4.936 -2.496 11.070 1.00 0.00 C ATOM 582 CG GLN A 39 5.412 -1.746 9.889 1.00 0.00 C ATOM 583 CD GLN A 39 6.475 -0.756 10.205 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.441 -0.748 9.368 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.495 -0.115 11.253 1.00 0.00 N flip ATOM 0 H GLN A 39 6.786 -4.164 10.128 1.00 0.00 H new ATOM 0 HA GLN A 39 6.426 -2.571 12.618 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.188 -3.220 10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.438 -1.803 11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.791 -2.451 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.568 -1.228 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.699 -0.153 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.308 0.456 11.486 1.00 0.00 H new ATOM 594 N ASP A 40 4.469 -4.403 13.263 1.00 0.00 N ATOM 595 CA ASP A 40 3.862 -5.589 13.837 1.00 0.00 C ATOM 596 C ASP A 40 2.403 -5.617 13.487 1.00 0.00 C ATOM 597 O ASP A 40 1.685 -4.680 13.814 1.00 0.00 O ATOM 598 CB ASP A 40 3.979 -5.613 15.334 1.00 0.00 C ATOM 599 CG ASP A 40 3.673 -6.969 15.895 1.00 0.00 C ATOM 600 OD1 ASP A 40 4.592 -7.806 15.990 1.00 0.00 O ATOM 601 OD2 ASP A 40 2.509 -7.222 16.249 1.00 0.00 O ATOM 0 H ASP A 40 4.052 -3.519 13.554 1.00 0.00 H new ATOM 0 HA ASP A 40 4.387 -6.453 13.431 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.988 -5.319 15.624 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.297 -4.880 15.764 1.00 0.00 H new ATOM 606 N PRO A 41 1.923 -6.701 12.866 1.00 0.00 N ATOM 607 CA PRO A 41 0.537 -6.818 12.409 1.00 0.00 C ATOM 608 C PRO A 41 -0.487 -6.615 13.516 1.00 0.00 C ATOM 609 O PRO A 41 -1.564 -6.092 13.277 1.00 0.00 O ATOM 610 CB PRO A 41 0.440 -8.248 11.869 1.00 0.00 C ATOM 611 CG PRO A 41 1.643 -8.944 12.383 1.00 0.00 C ATOM 612 CD PRO A 41 2.692 -7.898 12.545 1.00 0.00 C ATOM 0 HA PRO A 41 0.312 -6.046 11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.473 -8.736 12.211 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.417 -8.256 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.432 -9.434 13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.970 -9.719 11.690 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.393 -8.151 13.340 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.276 -7.769 11.634 1.00 0.00 H new ATOM 620 N SER A 42 -0.106 -6.937 14.733 1.00 0.00 N ATOM 621 CA SER A 42 -1.026 -6.895 15.841 1.00 0.00 C ATOM 622 C SER A 42 -1.264 -5.437 16.287 1.00 0.00 C ATOM 623 O SER A 42 -2.278 -5.118 16.921 1.00 0.00 O ATOM 624 CB SER A 42 -0.464 -7.755 16.978 1.00 0.00 C ATOM 625 OG SER A 42 -1.412 -8.003 18.019 1.00 0.00 O ATOM 0 H SER A 42 0.839 -7.232 14.978 1.00 0.00 H new ATOM 0 HA SER A 42 -1.994 -7.298 15.543 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.124 -8.707 16.571 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.410 -7.260 17.402 1.00 0.00 H new ATOM 0 HG SER A 42 -0.998 -8.556 18.714 1.00 0.00 H new ATOM 631 N GLN A 43 -0.352 -4.558 15.919 1.00 0.00 N ATOM 632 CA GLN A 43 -0.452 -3.154 16.281 1.00 0.00 C ATOM 633 C GLN A 43 -0.488 -2.295 15.032 1.00 0.00 C ATOM 634 O GLN A 43 -0.341 -1.078 15.079 1.00 0.00 O ATOM 635 CB GLN A 43 0.705 -2.767 17.205 1.00 0.00 C ATOM 636 CG GLN A 43 2.074 -2.949 16.631 1.00 0.00 C ATOM 637 CD GLN A 43 3.031 -3.567 17.627 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.552 -4.516 18.394 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.221 -3.256 17.632 1.00 0.00 N flip ATOM 0 H GLN A 43 0.472 -4.792 15.366 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.381 -2.984 16.825 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.585 -1.722 17.491 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.631 -3.357 18.118 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.014 -3.582 15.746 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.462 -1.983 16.307 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.556 -2.512 17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.873 -3.742 18.248 1.00 0.00 H new ATOM 648 N ASN A 44 -0.685 -2.948 13.918 1.00 0.00 N ATOM 649 CA ASN A 44 -0.762 -2.286 12.630 1.00 0.00 C ATOM 650 C ASN A 44 -2.175 -2.163 12.144 1.00 0.00 C ATOM 651 O ASN A 44 -2.959 -3.082 12.291 1.00 0.00 O ATOM 652 CB ASN A 44 0.058 -3.005 11.598 1.00 0.00 C ATOM 653 CG ASN A 44 1.470 -2.495 11.483 1.00 0.00 C ATOM 654 OD1 ASN A 44 2.061 -2.562 10.418 1.00 0.00 O ATOM 655 ND2 ASN A 44 2.012 -1.969 12.551 1.00 0.00 N ATOM 0 H ASN A 44 -0.798 -3.961 13.871 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.359 -1.284 12.775 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.084 -4.067 11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.432 -2.913 10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.961 -1.597 12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.486 -1.931 13.424 1.00 0.00 H new ATOM 662 N PRO A 45 -2.492 -1.053 11.472 1.00 0.00 N ATOM 663 CA PRO A 45 -3.855 -0.736 11.063 1.00 0.00 C ATOM 664 C PRO A 45 -4.409 -1.684 9.993 1.00 0.00 C ATOM 665 O PRO A 45 -5.507 -2.224 10.127 1.00 0.00 O ATOM 666 CB PRO A 45 -3.718 0.680 10.501 1.00 0.00 C ATOM 667 CG PRO A 45 -2.310 0.759 10.031 1.00 0.00 C ATOM 668 CD PRO A 45 -1.530 -0.013 11.025 1.00 0.00 C ATOM 0 HA PRO A 45 -4.556 -0.831 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.419 0.853 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.925 1.431 11.263 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.203 0.337 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.969 1.793 9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.637 -0.454 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.200 0.614 11.853 1.00 0.00 H new ATOM 676 N PHE A 46 -3.656 -1.906 8.942 1.00 0.00 N ATOM 677 CA PHE A 46 -4.155 -2.710 7.845 1.00 0.00 C ATOM 678 C PHE A 46 -3.393 -4.012 7.771 1.00 0.00 C ATOM 679 O PHE A 46 -3.413 -4.731 6.775 1.00 0.00 O ATOM 680 CB PHE A 46 -4.067 -1.922 6.539 1.00 0.00 C ATOM 681 CG PHE A 46 -4.737 -0.570 6.621 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.111 -0.440 6.486 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.985 0.571 6.841 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.711 0.803 6.568 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.579 1.807 6.924 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.936 1.926 6.788 1.00 0.00 C ATOM 0 H PHE A 46 -2.708 -1.548 8.821 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.204 -2.952 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.019 -1.787 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.527 -2.502 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.718 -1.317 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.914 0.488 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.782 0.896 6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.975 2.685 7.097 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.401 2.898 6.853 1.00 0.00 H new ATOM 696 N SER A 47 -2.714 -4.318 8.832 1.00 0.00 N ATOM 697 CA SER A 47 -2.011 -5.554 8.906 1.00 0.00 C ATOM 698 C SER A 47 -2.695 -6.447 9.942 1.00 0.00 C ATOM 699 O SER A 47 -2.486 -7.652 9.971 1.00 0.00 O ATOM 700 CB SER A 47 -0.549 -5.295 9.256 1.00 0.00 C ATOM 701 OG SER A 47 0.282 -6.426 9.011 1.00 0.00 O ATOM 0 H SER A 47 -2.633 -3.726 9.659 1.00 0.00 H new ATOM 0 HA SER A 47 -2.031 -6.065 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.185 -4.448 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.475 -5.015 10.307 1.00 0.00 H new ATOM 0 HG SER A 47 1.208 -6.210 9.249 1.00 0.00 H new ATOM 782 N LYS A 53 1.691 -9.420 6.790 1.00 0.00 N ATOM 783 CA LYS A 53 2.473 -8.226 6.794 1.00 0.00 C ATOM 784 C LYS A 53 2.786 -7.805 5.373 1.00 0.00 C ATOM 785 O LYS A 53 2.534 -8.547 4.417 1.00 0.00 O ATOM 786 CB LYS A 53 3.790 -8.418 7.524 1.00 0.00 C ATOM 787 CG LYS A 53 3.753 -8.988 8.947 1.00 0.00 C ATOM 788 CD LYS A 53 5.133 -8.732 9.519 1.00 0.00 C ATOM 789 CE LYS A 53 5.436 -9.382 10.841 1.00 0.00 C ATOM 790 NZ LYS A 53 5.515 -10.854 10.755 1.00 0.00 N ATOM 0 HA LYS A 53 1.887 -7.463 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.414 -9.075 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.292 -7.451 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.983 -8.501 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.523 -10.053 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.873 -9.071 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.264 -7.655 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.381 -8.995 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.665 -9.106 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.726 -11.246 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.606 -11.231 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.269 -11.123 10.091 1.00 0.00 H new ATOM 804 N GLY A 54 3.375 -6.653 5.242 1.00 0.00 N ATOM 805 CA GLY A 54 3.705 -6.146 3.947 1.00 0.00 C ATOM 806 C GLY A 54 3.482 -4.688 3.914 1.00 0.00 C ATOM 807 O GLY A 54 2.900 -4.160 4.822 1.00 0.00 O ATOM 0 H GLY A 54 3.636 -6.047 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.746 -6.370 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.094 -6.635 3.188 1.00 0.00 H new ATOM 811 N ILE A 55 3.973 -4.038 2.926 1.00 0.00 N ATOM 812 CA ILE A 55 3.788 -2.637 2.792 1.00 0.00 C ATOM 813 C ILE A 55 2.427 -2.379 2.198 1.00 0.00 C ATOM 814 O ILE A 55 2.022 -3.042 1.273 1.00 0.00 O ATOM 815 CB ILE A 55 4.900 -2.019 1.921 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.265 -2.272 2.563 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.664 -0.530 1.718 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.488 -1.548 3.851 1.00 0.00 C ATOM 0 H ILE A 55 4.520 -4.465 2.179 1.00 0.00 H new ATOM 0 HA ILE A 55 3.846 -2.166 3.773 1.00 0.00 H new ATOM 0 HB ILE A 55 4.881 -2.494 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.377 -3.342 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.044 -1.981 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.461 -0.116 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.705 -0.378 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.656 -0.028 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.480 -1.785 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.412 -0.474 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.735 -1.856 4.577 1.00 0.00 H new ATOM 830 N TYR A 56 1.718 -1.479 2.791 1.00 0.00 N ATOM 831 CA TYR A 56 0.406 -1.110 2.345 1.00 0.00 C ATOM 832 C TYR A 56 0.221 0.346 2.496 1.00 0.00 C ATOM 833 O TYR A 56 0.950 0.982 3.277 1.00 0.00 O ATOM 834 CB TYR A 56 -0.652 -1.852 3.133 1.00 0.00 C ATOM 835 CG TYR A 56 -0.405 -1.845 4.601 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.886 -0.851 5.413 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.300 -2.858 5.165 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.674 -0.889 6.756 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.539 -2.913 6.481 1.00 0.00 C ATOM 840 CZ TYR A 56 0.039 -1.917 7.293 1.00 0.00 C ATOM 841 OH TYR A 56 0.204 -1.958 8.631 1.00 0.00 O ATOM 0 H TYR A 56 2.034 -0.967 3.614 1.00 0.00 H new ATOM 0 HA TYR A 56 0.304 -1.379 1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.625 -1.404 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.698 -2.884 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.439 -0.029 4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.681 -3.646 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.068 -0.110 7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.115 -3.725 6.900 1.00 0.00 H new ATOM 0 HH TYR A 56 1.112 -2.261 8.839 1.00 0.00 H new ATOM 851 N VAL A 57 -0.735 0.858 1.806 1.00 0.00 N ATOM 852 CA VAL A 57 -1.047 2.235 1.803 1.00 0.00 C ATOM 853 C VAL A 57 -1.953 2.572 2.959 1.00 0.00 C ATOM 854 O VAL A 57 -2.974 1.909 3.207 1.00 0.00 O ATOM 855 CB VAL A 57 -1.728 2.639 0.492 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.040 4.093 0.468 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.877 2.262 -0.680 1.00 0.00 C ATOM 0 H VAL A 57 -1.344 0.303 1.205 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.113 2.788 1.901 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.671 2.097 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.523 4.346 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.709 4.335 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.117 4.665 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.377 2.557 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.085 2.770 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.718 1.184 -0.682 1.00 0.00 H new ATOM 867 N THR A 58 -1.579 3.581 3.662 1.00 0.00 N ATOM 868 CA THR A 58 -2.331 4.054 4.767 1.00 0.00 C ATOM 869 C THR A 58 -3.123 5.306 4.391 1.00 0.00 C ATOM 870 O THR A 58 -4.140 5.635 5.018 1.00 0.00 O ATOM 871 CB THR A 58 -1.391 4.318 5.942 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.206 5.015 5.490 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.014 3.011 6.612 1.00 0.00 C ATOM 0 H THR A 58 -0.726 4.110 3.481 1.00 0.00 H new ATOM 0 HA THR A 58 -3.055 3.295 5.063 1.00 0.00 H new ATOM 0 HB THR A 58 -1.905 4.947 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.387 5.180 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.344 3.211 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.914 2.517 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.513 2.364 5.892 1.00 0.00 H new ATOM 881 N ARG A 59 -2.651 5.991 3.363 1.00 0.00 N ATOM 882 CA ARG A 59 -3.255 7.200 2.853 1.00 0.00 C ATOM 883 C ARG A 59 -3.003 7.293 1.382 1.00 0.00 C ATOM 884 O ARG A 59 -1.877 7.153 0.973 1.00 0.00 O ATOM 885 CB ARG A 59 -2.553 8.387 3.454 1.00 0.00 C ATOM 886 CG ARG A 59 -2.804 8.672 4.917 1.00 0.00 C ATOM 887 CD ARG A 59 -4.258 8.939 5.228 1.00 0.00 C ATOM 888 NE ARG A 59 -4.480 8.908 6.668 1.00 0.00 N ATOM 889 CZ ARG A 59 -5.638 9.125 7.273 1.00 0.00 C ATOM 890 NH1 ARG A 59 -6.676 9.598 6.590 1.00 0.00 N ATOM 891 NH2 ARG A 59 -5.752 8.894 8.581 1.00 0.00 N ATOM 0 H ARG A 59 -1.815 5.710 2.850 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.320 7.186 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.480 8.250 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.838 9.272 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.462 7.824 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.210 9.534 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.550 9.910 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.885 8.192 4.740 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.675 8.702 7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.583 9.796 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.565 9.763 7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.950 8.552 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.641 9.059 9.052 1.00 0.00 H new ATOM 905 N VAL A 60 -4.005 7.523 0.577 1.00 0.00 N ATOM 906 CA VAL A 60 -3.802 7.717 -0.752 1.00 0.00 C ATOM 907 C VAL A 60 -3.940 9.189 -1.069 1.00 0.00 C ATOM 908 O VAL A 60 -4.259 10.001 -0.193 1.00 0.00 O ATOM 909 CB VAL A 60 -4.792 6.923 -1.583 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.662 5.432 -1.410 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.215 7.386 -1.443 1.00 0.00 C ATOM 0 H VAL A 60 -4.980 7.573 0.872 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.798 7.372 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.509 7.139 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.400 4.928 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.661 5.117 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.830 5.171 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.861 6.769 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.525 7.298 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.292 8.427 -1.758 1.00 0.00 H new ATOM 921 N SER A 61 -3.716 9.513 -2.292 1.00 0.00 N ATOM 922 CA SER A 61 -3.844 10.841 -2.763 1.00 0.00 C ATOM 923 C SER A 61 -5.339 11.085 -2.988 1.00 0.00 C ATOM 924 O SER A 61 -5.929 10.443 -3.841 1.00 0.00 O ATOM 925 CB SER A 61 -3.086 10.923 -4.074 1.00 0.00 C ATOM 926 OG SER A 61 -2.689 12.232 -4.397 1.00 0.00 O ATOM 0 H SER A 61 -3.432 8.845 -3.008 1.00 0.00 H new ATOM 0 HA SER A 61 -3.449 11.583 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.204 10.285 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.713 10.531 -4.875 1.00 0.00 H new ATOM 0 HG SER A 61 -1.746 12.356 -4.161 1.00 0.00 H new ATOM 932 N GLU A 62 -5.911 12.018 -2.229 1.00 0.00 N ATOM 933 CA GLU A 62 -7.374 12.335 -2.200 1.00 0.00 C ATOM 934 C GLU A 62 -7.928 12.899 -3.523 1.00 0.00 C ATOM 935 O GLU A 62 -9.127 13.227 -3.633 1.00 0.00 O ATOM 936 CB GLU A 62 -7.637 13.342 -1.105 1.00 0.00 C ATOM 937 CG GLU A 62 -6.837 14.619 -1.270 1.00 0.00 C ATOM 938 CD GLU A 62 -7.283 15.700 -0.356 1.00 0.00 C ATOM 939 OE1 GLU A 62 -6.840 15.745 0.802 1.00 0.00 O ATOM 940 OE2 GLU A 62 -8.079 16.547 -0.787 1.00 0.00 O ATOM 0 H GLU A 62 -5.370 12.602 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.885 11.389 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.699 13.585 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.399 12.893 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.783 14.408 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.920 14.964 -2.301 1.00 0.00 H new ATOM 947 N GLY A 63 -7.073 13.065 -4.452 1.00 0.00 N ATOM 948 CA GLY A 63 -7.426 13.522 -5.759 1.00 0.00 C ATOM 949 C GLY A 63 -6.244 13.381 -6.640 1.00 0.00 C ATOM 950 O GLY A 63 -6.022 14.173 -7.547 1.00 0.00 O ATOM 0 H GLY A 63 -6.076 12.885 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.262 12.942 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.749 14.562 -5.722 1.00 0.00 H new ATOM 954 N GLY A 64 -5.475 12.350 -6.371 1.00 0.00 N ATOM 955 CA GLY A 64 -4.250 12.167 -7.067 1.00 0.00 C ATOM 956 C GLY A 64 -4.194 10.862 -7.787 1.00 0.00 C ATOM 957 O GLY A 64 -5.179 10.112 -7.779 1.00 0.00 O ATOM 0 H GLY A 64 -5.687 11.635 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.117 12.979 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.422 12.225 -6.361 1.00 0.00 H new ATOM 961 N PRO A 65 -3.001 10.485 -8.276 1.00 0.00 N ATOM 962 CA PRO A 65 -2.824 9.340 -9.169 1.00 0.00 C ATOM 963 C PRO A 65 -3.167 8.042 -8.484 1.00 0.00 C ATOM 964 O PRO A 65 -3.608 7.096 -9.117 1.00 0.00 O ATOM 965 CB PRO A 65 -1.334 9.378 -9.516 1.00 0.00 C ATOM 966 CG PRO A 65 -0.699 10.109 -8.390 1.00 0.00 C ATOM 967 CD PRO A 65 -1.712 11.103 -7.925 1.00 0.00 C ATOM 0 HA PRO A 65 -3.475 9.396 -10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.925 8.372 -9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.162 9.887 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.424 9.426 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.216 10.606 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.633 11.282 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.583 12.066 -8.419 1.00 0.00 H new ATOM 975 N ALA A 66 -2.982 8.024 -7.178 1.00 0.00 N ATOM 976 CA ALA A 66 -3.248 6.867 -6.369 1.00 0.00 C ATOM 977 C ALA A 66 -4.691 6.435 -6.494 1.00 0.00 C ATOM 978 O ALA A 66 -4.964 5.358 -7.042 1.00 0.00 O ATOM 979 CB ALA A 66 -2.864 7.114 -4.925 1.00 0.00 C ATOM 0 H ALA A 66 -2.638 8.826 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.629 6.049 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.076 6.223 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.800 7.344 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.439 7.953 -4.534 1.00 0.00 H new ATOM 985 N GLU A 67 -5.626 7.276 -6.054 1.00 0.00 N ATOM 986 CA GLU A 67 -7.020 6.884 -6.152 1.00 0.00 C ATOM 987 C GLU A 67 -7.508 6.901 -7.603 1.00 0.00 C ATOM 988 O GLU A 67 -8.394 6.129 -7.962 1.00 0.00 O ATOM 989 CB GLU A 67 -7.964 7.699 -5.272 1.00 0.00 C ATOM 990 CG GLU A 67 -8.069 9.166 -5.607 1.00 0.00 C ATOM 991 CD GLU A 67 -9.308 9.758 -5.000 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.271 10.188 -3.857 1.00 0.00 O ATOM 993 OE2 GLU A 67 -10.369 9.784 -5.676 1.00 0.00 O ATOM 0 H GLU A 67 -5.451 8.193 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.049 5.863 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.959 7.259 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.638 7.604 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.189 9.693 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.089 9.297 -6.689 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.921 7.790 -8.430 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.252 7.874 -9.859 1.00 0.00 C ATOM 1002 C ILE A 68 -7.046 6.530 -10.539 1.00 0.00 C ATOM 1003 O ILE A 68 -7.928 6.048 -11.250 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.423 8.992 -10.587 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.958 10.398 -10.252 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.350 8.781 -12.100 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.363 10.680 -10.758 1.00 0.00 C ATOM 0 H ILE A 68 -6.214 8.460 -8.127 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.305 8.146 -9.932 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.404 8.915 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.943 10.529 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.279 11.140 -10.673 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.765 9.583 -12.551 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.876 7.823 -12.311 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.357 8.787 -12.517 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.655 11.692 -10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.385 10.585 -11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.059 9.965 -10.318 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.909 5.917 -10.277 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.600 4.641 -10.861 1.00 0.00 C ATOM 1021 C ALA A 69 -6.408 3.546 -10.190 1.00 0.00 C ATOM 1022 O ALA A 69 -7.031 2.729 -10.860 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.128 4.364 -10.753 1.00 0.00 C ATOM 0 H ALA A 69 -5.186 6.289 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.867 4.662 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.907 3.394 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.572 5.141 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.835 4.356 -9.703 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.424 3.550 -8.878 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.193 2.554 -8.164 1.00 0.00 C ATOM 1031 C GLY A 70 -6.514 2.045 -6.919 1.00 0.00 C ATOM 1032 O GLY A 70 -6.898 1.019 -6.367 1.00 0.00 O ATOM 0 H GLY A 70 -5.924 4.217 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.159 2.979 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.390 1.714 -8.830 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.503 2.745 -6.471 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.836 2.390 -5.253 1.00 0.00 C ATOM 1038 C LEU A 71 -5.658 2.888 -4.107 1.00 0.00 C ATOM 1039 O LEU A 71 -5.927 4.082 -3.998 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.386 2.914 -5.247 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.504 2.635 -4.011 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.848 1.284 -3.388 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.076 2.551 -4.478 1.00 0.00 C ATOM 0 H LEU A 71 -5.125 3.569 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.748 1.308 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.879 2.495 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.424 3.994 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.663 3.427 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.213 1.112 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.893 1.281 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.684 0.493 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.425 2.354 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.977 1.744 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.789 3.494 -4.943 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.105 1.963 -3.293 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.006 2.252 -2.221 1.00 0.00 C ATOM 1057 C GLN A 72 -6.353 1.878 -0.935 1.00 0.00 C ATOM 1058 O GLN A 72 -5.683 0.851 -0.867 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.304 1.449 -2.397 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.012 1.699 -3.716 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.540 3.108 -3.838 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.704 4.014 -4.243 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.682 3.383 -3.498 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.846 0.979 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.249 3.314 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.075 0.386 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.983 1.693 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.322 1.502 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.839 0.996 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.313 2.645 -3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.004 4.350 -3.528 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.552 2.704 0.061 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.006 2.503 1.404 1.00 0.00 C ATOM 1074 C ILE A 73 -6.389 1.119 1.931 1.00 0.00 C ATOM 1075 O ILE A 73 -7.533 0.646 1.704 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.595 3.550 2.385 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.329 4.978 1.917 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.057 3.346 3.789 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.922 6.043 2.819 1.00 0.00 C ATOM 0 H ILE A 73 -7.107 3.555 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.922 2.603 1.340 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.675 3.400 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.252 5.132 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.733 5.101 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.487 4.094 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.325 2.350 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.972 3.448 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.689 7.030 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.004 5.917 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.500 5.949 3.819 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.464 0.471 2.598 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.776 -0.816 3.189 1.00 0.00 C ATOM 1093 C GLY A 74 -5.644 -1.918 2.195 1.00 0.00 C ATOM 1094 O GLY A 74 -6.430 -2.875 2.161 1.00 0.00 O ATOM 0 H GLY A 74 -4.510 0.800 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.110 -1.002 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.792 -0.800 3.584 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.710 -1.735 1.357 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.331 -2.659 0.340 1.00 0.00 C ATOM 1100 C ASP A 75 -3.178 -3.516 0.887 1.00 0.00 C ATOM 1101 O ASP A 75 -2.995 -3.613 2.104 1.00 0.00 O ATOM 1102 CB ASP A 75 -3.847 -1.812 -0.820 1.00 0.00 C ATOM 1103 CG ASP A 75 -2.635 -1.037 -0.420 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -2.771 -0.145 0.425 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -1.571 -1.353 -0.874 1.00 0.00 O ATOM 0 H ASP A 75 -4.145 -0.886 1.350 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.144 -3.316 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.615 -2.449 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.636 -1.130 -1.136 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.450 -4.152 0.006 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.262 -4.923 0.342 1.00 0.00 C ATOM 1112 C LYS A 76 -0.358 -4.852 -0.864 1.00 0.00 C ATOM 1113 O LYS A 76 -0.574 -5.597 -1.838 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.571 -6.413 0.593 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.543 -6.760 1.715 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.980 -6.520 3.106 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.963 -7.046 4.138 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.458 -6.965 5.515 1.00 0.00 N ATOM 0 H LYS A 76 -2.665 -4.154 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.824 -4.514 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.964 -6.834 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.628 -6.920 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.451 -6.169 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.830 -7.808 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.018 -7.021 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.805 -5.456 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.892 -6.481 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.202 -8.084 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.957 -7.658 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.439 -7.172 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.620 -6.008 5.889 1.00 0.00 H new ATOM 1132 N ILE A 77 0.580 -3.952 -0.855 1.00 0.00 N ATOM 1133 CA ILE A 77 1.474 -3.779 -1.965 1.00 0.00 C ATOM 1134 C ILE A 77 2.464 -4.912 -2.025 1.00 0.00 C ATOM 1135 O ILE A 77 3.331 -5.072 -1.169 1.00 0.00 O ATOM 1136 CB ILE A 77 2.219 -2.461 -1.884 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.227 -1.351 -1.754 1.00 0.00 C ATOM 1138 CG2 ILE A 77 3.011 -2.268 -3.155 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.777 -0.147 -1.115 1.00 0.00 C ATOM 0 H ILE A 77 0.749 -3.315 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 77 0.868 -3.775 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 77 2.890 -2.462 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.854 -1.089 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.373 -1.703 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.551 -1.322 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.722 -3.086 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.333 -2.256 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.003 0.618 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.124 -0.394 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.612 0.229 -1.706 1.00 0.00 H new ATOM 1151 N MET A 78 2.337 -5.676 -3.046 1.00 0.00 N ATOM 1152 CA MET A 78 3.124 -6.837 -3.229 1.00 0.00 C ATOM 1153 C MET A 78 4.177 -6.592 -4.285 1.00 0.00 C ATOM 1154 O MET A 78 5.061 -7.379 -4.442 1.00 0.00 O ATOM 1155 CB MET A 78 2.243 -8.023 -3.638 1.00 0.00 C ATOM 1156 CG MET A 78 1.104 -8.419 -2.668 1.00 0.00 C ATOM 1157 SD MET A 78 1.620 -9.219 -1.099 1.00 0.00 S ATOM 1158 CE MET A 78 2.160 -7.846 -0.069 1.00 0.00 C ATOM 0 H MET A 78 1.666 -5.507 -3.796 1.00 0.00 H new ATOM 0 HA MET A 78 3.614 -7.073 -2.285 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.799 -7.797 -4.607 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.887 -8.891 -3.777 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.534 -7.523 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.427 -9.095 -3.191 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.000 -8.093 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.220 -7.658 -0.240 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.588 -6.954 -0.323 1.00 0.00 H new ATOM 1168 N GLN A 79 4.093 -5.485 -5.002 1.00 0.00 N ATOM 1169 CA GLN A 79 5.054 -5.197 -6.055 1.00 0.00 C ATOM 1170 C GLN A 79 4.993 -3.728 -6.426 1.00 0.00 C ATOM 1171 O GLN A 79 3.936 -3.179 -6.531 1.00 0.00 O ATOM 1172 CB GLN A 79 4.833 -6.172 -7.255 1.00 0.00 C ATOM 1173 CG GLN A 79 5.822 -6.097 -8.417 1.00 0.00 C ATOM 1174 CD GLN A 79 5.373 -5.155 -9.508 1.00 0.00 C ATOM 1175 OE1 GLN A 79 5.765 -3.931 -9.421 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 4.687 -5.546 -10.431 1.00 0.00 N flip ATOM 0 H GLN A 79 3.373 -4.773 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 79 6.071 -5.374 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.846 -7.191 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.833 -5.995 -7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.793 -5.774 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.958 -7.094 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.393 -6.522 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.405 -4.898 -11.167 1.00 0.00 H new ATOM 1185 N VAL A 80 6.154 -3.093 -6.548 1.00 0.00 N ATOM 1186 CA VAL A 80 6.261 -1.670 -6.913 1.00 0.00 C ATOM 1187 C VAL A 80 7.326 -1.517 -7.969 1.00 0.00 C ATOM 1188 O VAL A 80 8.465 -1.854 -7.731 1.00 0.00 O ATOM 1189 CB VAL A 80 6.636 -0.782 -5.672 1.00 0.00 C ATOM 1190 CG1 VAL A 80 7.153 0.611 -6.062 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.455 -0.640 -4.756 1.00 0.00 C ATOM 0 H VAL A 80 7.056 -3.546 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 80 5.293 -1.338 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 80 7.449 -1.297 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.395 1.175 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.047 0.508 -6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.384 1.140 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.730 -0.022 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.632 -0.170 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.145 -1.625 -4.407 1.00 0.00 H new ATOM 1201 N ASN A 81 6.921 -1.101 -9.141 1.00 0.00 N ATOM 1202 CA ASN A 81 7.805 -0.822 -10.272 1.00 0.00 C ATOM 1203 C ASN A 81 8.811 -1.951 -10.519 1.00 0.00 C ATOM 1204 O ASN A 81 10.031 -1.769 -10.424 1.00 0.00 O ATOM 1205 CB ASN A 81 8.488 0.526 -10.116 1.00 0.00 C ATOM 1206 CG ASN A 81 8.943 1.051 -11.450 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.022 1.636 -12.157 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.081 0.881 -11.854 1.00 0.00 N flip ATOM 0 H ASN A 81 5.937 -0.938 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 81 7.180 -0.772 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.801 1.236 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.343 0.430 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.769 0.416 -11.261 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.345 1.204 -12.785 1.00 0.00 H new ATOM 1215 N GLY A 82 8.252 -3.125 -10.697 1.00 0.00 N ATOM 1216 CA GLY A 82 8.962 -4.357 -10.976 1.00 0.00 C ATOM 1217 C GLY A 82 9.947 -4.845 -9.896 1.00 0.00 C ATOM 1218 O GLY A 82 10.597 -5.871 -10.074 1.00 0.00 O ATOM 0 H GLY A 82 7.242 -3.256 -10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.226 -5.143 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.514 -4.229 -11.907 1.00 0.00 H new ATOM 1222 N TRP A 83 10.032 -4.136 -8.790 1.00 0.00 N ATOM 1223 CA TRP A 83 11.045 -4.408 -7.756 1.00 0.00 C ATOM 1224 C TRP A 83 10.598 -5.462 -6.722 1.00 0.00 C ATOM 1225 O TRP A 83 11.432 -6.008 -5.995 1.00 0.00 O ATOM 1226 CB TRP A 83 11.451 -3.064 -7.095 1.00 0.00 C ATOM 1227 CG TRP A 83 11.004 -2.838 -5.665 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.750 -2.534 -5.234 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.829 -2.857 -4.491 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.735 -2.394 -3.877 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.995 -2.585 -3.396 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.189 -3.092 -4.257 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.460 -2.531 -2.098 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.656 -3.039 -2.955 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.792 -2.762 -1.888 1.00 0.00 C ATOM 0 H TRP A 83 9.412 -3.357 -8.570 1.00 0.00 H new ATOM 0 HA TRP A 83 11.916 -4.855 -8.235 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.538 -2.986 -7.127 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.055 -2.253 -7.706 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.888 -2.420 -5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.912 -2.181 -3.313 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.860 -3.310 -5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.795 -2.314 -1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.703 -3.214 -2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.184 -2.730 -0.882 1.00 0.00 H new ATOM 1246 N ASP A 84 9.293 -5.757 -6.718 1.00 0.00 N ATOM 1247 CA ASP A 84 8.623 -6.651 -5.794 1.00 0.00 C ATOM 1248 C ASP A 84 8.662 -6.105 -4.340 1.00 0.00 C ATOM 1249 O ASP A 84 9.721 -5.895 -3.761 1.00 0.00 O ATOM 1250 CB ASP A 84 9.164 -8.070 -5.898 1.00 0.00 C ATOM 1251 CG ASP A 84 8.125 -9.073 -5.518 1.00 0.00 C ATOM 1252 OD1 ASP A 84 7.318 -8.777 -4.674 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.043 -10.152 -6.158 1.00 0.00 O ATOM 0 H ASP A 84 8.651 -5.352 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 84 7.572 -6.696 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.501 -8.260 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.033 -8.179 -5.249 1.00 0.00 H new ATOM 1258 N MET A 85 7.495 -5.884 -3.764 1.00 0.00 N ATOM 1259 CA MET A 85 7.380 -5.245 -2.435 1.00 0.00 C ATOM 1260 C MET A 85 6.688 -6.191 -1.425 1.00 0.00 C ATOM 1261 O MET A 85 6.403 -5.835 -0.282 1.00 0.00 O ATOM 1262 CB MET A 85 6.675 -3.849 -2.573 1.00 0.00 C ATOM 1263 CG MET A 85 6.395 -3.114 -1.257 1.00 0.00 C ATOM 1264 SD MET A 85 5.955 -1.368 -1.436 1.00 0.00 S ATOM 1265 CE MET A 85 7.515 -0.629 -1.896 1.00 0.00 C ATOM 0 H MET A 85 6.600 -6.133 -4.186 1.00 0.00 H new ATOM 0 HA MET A 85 8.374 -5.058 -2.030 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.296 -3.209 -3.200 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.730 -3.990 -3.098 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.585 -3.626 -0.737 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.278 -3.188 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.544 0.404 -1.549 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.331 -1.188 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.622 -0.651 -2.980 1.00 0.00 H new ATOM 1275 N THR A 86 6.499 -7.420 -1.871 1.00 0.00 N ATOM 1276 CA THR A 86 5.884 -8.523 -1.118 1.00 0.00 C ATOM 1277 C THR A 86 6.411 -8.689 0.355 1.00 0.00 C ATOM 1278 O THR A 86 5.673 -9.168 1.228 1.00 0.00 O ATOM 1279 CB THR A 86 6.085 -9.845 -1.914 1.00 0.00 C ATOM 1280 OG1 THR A 86 5.425 -10.963 -1.291 1.00 0.00 O ATOM 1281 CG2 THR A 86 7.574 -10.147 -2.128 1.00 0.00 C ATOM 0 H THR A 86 6.780 -7.700 -2.811 1.00 0.00 H new ATOM 0 HA THR A 86 4.827 -8.278 -1.013 1.00 0.00 H new ATOM 0 HB THR A 86 5.621 -9.695 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.576 -11.771 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.680 -11.077 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.034 -9.333 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.068 -10.247 -1.161 1.00 0.00 H new ATOM 1289 N MET A 87 7.650 -8.298 0.611 1.00 0.00 N ATOM 1290 CA MET A 87 8.248 -8.398 1.930 1.00 0.00 C ATOM 1291 C MET A 87 9.423 -7.451 2.011 1.00 0.00 C ATOM 1292 O MET A 87 10.526 -7.782 1.597 1.00 0.00 O ATOM 1293 CB MET A 87 8.694 -9.840 2.256 1.00 0.00 C ATOM 1294 CG MET A 87 9.268 -9.997 3.664 1.00 0.00 C ATOM 1295 SD MET A 87 9.716 -11.697 4.092 1.00 0.00 S ATOM 1296 CE MET A 87 11.021 -12.029 2.901 1.00 0.00 C ATOM 0 H MET A 87 8.270 -7.901 -0.095 1.00 0.00 H new ATOM 0 HA MET A 87 7.496 -8.124 2.670 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.842 -10.510 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.444 -10.153 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.151 -9.365 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.537 -9.632 4.386 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.549 -12.939 3.184 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.585 -12.156 1.910 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.721 -11.193 2.886 1.00 0.00 H new ATOM 1306 N VAL A 88 9.163 -6.263 2.473 1.00 0.00 N ATOM 1307 CA VAL A 88 10.173 -5.244 2.593 1.00 0.00 C ATOM 1308 C VAL A 88 9.839 -4.353 3.784 1.00 0.00 C ATOM 1309 O VAL A 88 8.658 -4.259 4.203 1.00 0.00 O ATOM 1310 CB VAL A 88 10.270 -4.409 1.285 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.969 -3.708 0.977 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.408 -3.419 1.354 1.00 0.00 C ATOM 0 H VAL A 88 8.236 -5.968 2.781 1.00 0.00 H new ATOM 0 HA VAL A 88 11.144 -5.712 2.755 1.00 0.00 H new ATOM 0 HB VAL A 88 10.473 -5.104 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.074 -3.134 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.177 -4.447 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.715 -3.036 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.451 -2.849 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.248 -2.738 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.347 -3.954 1.496 1.00 0.00 H new ATOM 1322 N THR A 89 10.860 -3.792 4.389 1.00 0.00 N ATOM 1323 CA THR A 89 10.705 -2.923 5.496 1.00 0.00 C ATOM 1324 C THR A 89 10.098 -1.627 5.058 1.00 0.00 C ATOM 1325 O THR A 89 10.170 -1.260 3.893 1.00 0.00 O ATOM 1326 CB THR A 89 12.052 -2.646 6.202 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.055 -2.308 5.228 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.496 -3.839 7.012 1.00 0.00 C ATOM 0 H THR A 89 11.830 -3.939 4.110 1.00 0.00 H new ATOM 0 HA THR A 89 10.044 -3.419 6.206 1.00 0.00 H new ATOM 0 HB THR A 89 11.915 -1.807 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.708 -3.036 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.446 -3.616 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.745 -4.064 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.618 -4.700 6.355 1.00 0.00 H new ATOM 1336 N HIS A 90 9.490 -0.956 5.994 1.00 0.00 N ATOM 1337 CA HIS A 90 8.914 0.356 5.772 1.00 0.00 C ATOM 1338 C HIS A 90 10.004 1.278 5.280 1.00 0.00 C ATOM 1339 O HIS A 90 9.827 1.989 4.320 1.00 0.00 O ATOM 1340 CB HIS A 90 8.366 0.875 7.098 1.00 0.00 C ATOM 1341 CG HIS A 90 7.612 2.169 7.054 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.266 2.262 7.273 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.032 3.426 6.804 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.901 3.518 7.134 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.940 4.287 6.855 1.00 0.00 N ATOM 0 H HIS A 90 9.375 -1.301 6.947 1.00 0.00 H new ATOM 0 HA HIS A 90 8.111 0.308 5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.709 0.112 7.517 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.201 0.991 7.789 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.051 3.717 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.886 3.874 7.234 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.941 5.296 6.708 1.00 0.00 H new ATOM 1353 N ASP A 91 11.141 1.170 5.924 1.00 0.00 N ATOM 1354 CA ASP A 91 12.307 1.996 5.658 1.00 0.00 C ATOM 1355 C ASP A 91 12.761 1.848 4.211 1.00 0.00 C ATOM 1356 O ASP A 91 12.963 2.841 3.505 1.00 0.00 O ATOM 1357 CB ASP A 91 13.418 1.570 6.599 1.00 0.00 C ATOM 1358 CG ASP A 91 14.600 2.501 6.593 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.512 3.575 7.221 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.640 2.156 6.024 1.00 0.00 O ATOM 0 H ASP A 91 11.291 0.489 6.668 1.00 0.00 H new ATOM 0 HA ASP A 91 12.054 3.044 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.021 1.506 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.752 0.570 6.324 1.00 0.00 H new ATOM 1365 N GLN A 92 12.853 0.604 3.761 1.00 0.00 N ATOM 1366 CA GLN A 92 13.280 0.313 2.399 1.00 0.00 C ATOM 1367 C GLN A 92 12.188 0.636 1.387 1.00 0.00 C ATOM 1368 O GLN A 92 12.466 1.126 0.291 1.00 0.00 O ATOM 1369 CB GLN A 92 13.738 -1.145 2.257 1.00 0.00 C ATOM 1370 CG GLN A 92 15.253 -1.322 2.169 1.00 0.00 C ATOM 1371 CD GLN A 92 16.031 -0.822 3.375 1.00 0.00 C ATOM 1372 OE1 GLN A 92 17.158 -0.354 3.232 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.488 -0.970 4.554 1.00 0.00 N ATOM 0 H GLN A 92 12.637 -0.221 4.320 1.00 0.00 H new ATOM 0 HA GLN A 92 14.132 0.958 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.366 -1.715 3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.282 -1.572 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.472 -2.380 2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.613 -0.801 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.550 -1.362 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.002 -0.694 5.391 1.00 0.00 H new ATOM 1382 N ALA A 93 10.950 0.383 1.766 1.00 0.00 N ATOM 1383 CA ALA A 93 9.805 0.645 0.912 1.00 0.00 C ATOM 1384 C ALA A 93 9.655 2.118 0.662 1.00 0.00 C ATOM 1385 O ALA A 93 9.365 2.543 -0.459 1.00 0.00 O ATOM 1386 CB ALA A 93 8.547 0.110 1.541 1.00 0.00 C ATOM 0 H ALA A 93 10.708 -0.010 2.676 1.00 0.00 H new ATOM 0 HA ALA A 93 9.972 0.141 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.698 0.315 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.642 -0.966 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.388 0.593 2.505 1.00 0.00 H new ATOM 1392 N ARG A 94 9.874 2.897 1.714 1.00 0.00 N ATOM 1393 CA ARG A 94 9.796 4.353 1.665 1.00 0.00 C ATOM 1394 C ARG A 94 10.675 4.925 0.559 1.00 0.00 C ATOM 1395 O ARG A 94 10.248 5.761 -0.221 1.00 0.00 O ATOM 1396 CB ARG A 94 10.169 4.953 3.018 1.00 0.00 C ATOM 1397 CG ARG A 94 9.071 4.931 4.051 1.00 0.00 C ATOM 1398 CD ARG A 94 7.981 5.932 3.743 1.00 0.00 C ATOM 1399 NE ARG A 94 8.482 7.315 3.854 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.816 8.348 4.408 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.626 8.165 4.983 1.00 0.00 N ATOM 1402 NH2 ARG A 94 8.361 9.563 4.403 1.00 0.00 N ATOM 0 H ARG A 94 10.114 2.532 2.636 1.00 0.00 H new ATOM 0 HA ARG A 94 8.765 4.624 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.029 4.413 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.483 5.986 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.641 3.931 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.493 5.146 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.599 5.760 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.147 5.788 4.429 1.00 0.00 H new ATOM 0 HE ARG A 94 9.411 7.506 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.209 7.234 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.133 8.956 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.278 9.709 3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.861 10.348 4.821 1.00 0.00 H new ATOM 1416 N LYS A 95 11.827 4.353 0.404 1.00 0.00 N ATOM 1417 CA LYS A 95 12.814 4.820 -0.548 1.00 0.00 C ATOM 1418 C LYS A 95 12.487 4.305 -1.950 1.00 0.00 C ATOM 1419 O LYS A 95 13.308 4.402 -2.856 1.00 0.00 O ATOM 1420 CB LYS A 95 14.222 4.346 -0.131 1.00 0.00 C ATOM 1421 CG LYS A 95 14.673 4.804 1.261 1.00 0.00 C ATOM 1422 CD LYS A 95 14.856 6.330 1.392 1.00 0.00 C ATOM 1423 CE LYS A 95 16.176 6.861 0.790 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.277 6.736 -0.676 1.00 0.00 N ATOM 0 H LYS A 95 12.123 3.536 0.938 1.00 0.00 H new ATOM 0 HA LYS A 95 12.795 5.910 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.247 3.257 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.942 4.704 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.940 4.472 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.615 4.313 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.019 6.829 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.816 6.601 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.287 7.911 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.009 6.325 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.828 7.533 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.751 5.842 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.324 6.745 -1.092 1.00 0.00 H new ATOM 1438 N ARG A 96 11.278 3.799 -2.130 1.00 0.00 N ATOM 1439 CA ARG A 96 10.873 3.240 -3.388 1.00 0.00 C ATOM 1440 C ARG A 96 9.520 3.790 -3.815 1.00 0.00 C ATOM 1441 O ARG A 96 9.296 4.003 -4.995 1.00 0.00 O ATOM 1442 CB ARG A 96 10.852 1.699 -3.332 1.00 0.00 C ATOM 1443 CG ARG A 96 10.587 1.011 -4.673 1.00 0.00 C ATOM 1444 CD ARG A 96 11.725 1.246 -5.657 1.00 0.00 C ATOM 1445 NE ARG A 96 11.486 0.617 -6.972 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.431 0.475 -7.931 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.702 0.735 -7.652 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.114 0.007 -9.140 1.00 0.00 N ATOM 0 H ARG A 96 10.560 3.769 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 96 11.608 3.534 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.809 1.351 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.087 1.386 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.458 -0.060 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.655 1.385 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.866 2.318 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.650 0.854 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 96 10.549 0.267 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.966 1.042 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.415 0.628 -8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.149 -0.249 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.836 -0.095 -9.853 1.00 0.00 H new ATOM 1462 N LEU A 97 8.627 4.025 -2.868 1.00 0.00 N ATOM 1463 CA LEU A 97 7.319 4.559 -3.239 1.00 0.00 C ATOM 1464 C LEU A 97 7.249 6.060 -3.032 1.00 0.00 C ATOM 1465 O LEU A 97 6.487 6.742 -3.684 1.00 0.00 O ATOM 1466 CB LEU A 97 6.142 3.828 -2.515 1.00 0.00 C ATOM 1467 CG LEU A 97 5.736 4.221 -1.059 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.886 4.290 -0.093 1.00 0.00 C ATOM 1469 CD2 LEU A 97 4.850 5.471 -0.992 1.00 0.00 C ATOM 0 H LEU A 97 8.770 3.863 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 97 7.199 4.364 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.257 3.949 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.382 2.765 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 97 5.123 3.385 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.516 4.569 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.372 3.316 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.604 5.035 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.605 5.688 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.383 6.318 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.932 5.296 -1.552 1.00 0.00 H new ATOM 1481 N THR A 98 8.020 6.577 -2.104 1.00 0.00 N ATOM 1482 CA THR A 98 7.947 7.992 -1.871 1.00 0.00 C ATOM 1483 C THR A 98 9.245 8.648 -2.265 1.00 0.00 C ATOM 1484 O THR A 98 9.531 9.814 -1.918 1.00 0.00 O ATOM 1485 CB THR A 98 7.437 8.377 -0.437 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.316 9.794 -0.293 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.332 7.848 0.640 1.00 0.00 C ATOM 0 H THR A 98 8.679 6.060 -1.521 1.00 0.00 H new ATOM 0 HA THR A 98 7.169 8.396 -2.519 1.00 0.00 H new ATOM 0 HB THR A 98 6.455 7.917 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.969 10.239 -0.873 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.940 8.139 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.375 6.761 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.334 8.259 0.515 1.00 0.00 H new ATOM 1495 N LYS A 99 10.060 7.881 -2.977 1.00 0.00 N ATOM 1496 CA LYS A 99 11.168 8.451 -3.679 1.00 0.00 C ATOM 1497 C LYS A 99 10.569 9.315 -4.804 1.00 0.00 C ATOM 1498 O LYS A 99 9.450 9.071 -5.246 1.00 0.00 O ATOM 1499 CB LYS A 99 12.055 7.359 -4.272 1.00 0.00 C ATOM 1500 CG LYS A 99 11.327 6.466 -5.247 1.00 0.00 C ATOM 1501 CD LYS A 99 12.242 5.927 -6.327 1.00 0.00 C ATOM 1502 CE LYS A 99 13.358 5.072 -5.819 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.236 4.636 -6.931 1.00 0.00 N ATOM 0 H LYS A 99 9.964 6.870 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 99 11.791 9.042 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.902 7.823 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.460 6.750 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.876 5.633 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.513 7.024 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.648 5.347 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.665 6.766 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.942 5.627 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.950 4.200 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.624 3.695 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.685 4.592 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.016 5.315 -7.044 1.00 0.00 H new ATOM 1517 N ARG A 100 11.301 10.263 -5.285 1.00 0.00 N ATOM 1518 CA ARG A 100 10.743 11.207 -6.238 1.00 0.00 C ATOM 1519 C ARG A 100 11.372 11.051 -7.601 1.00 0.00 C ATOM 1520 O ARG A 100 11.149 11.858 -8.501 1.00 0.00 O ATOM 1521 CB ARG A 100 10.938 12.633 -5.729 1.00 0.00 C ATOM 1522 CG ARG A 100 12.378 13.042 -5.512 1.00 0.00 C ATOM 1523 CD ARG A 100 12.445 14.523 -5.209 1.00 0.00 C ATOM 1524 NE ARG A 100 13.805 15.057 -5.171 1.00 0.00 N ATOM 1525 CZ ARG A 100 14.231 15.972 -4.294 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.568 16.174 -3.161 1.00 0.00 N ATOM 1527 NH2 ARG A 100 15.362 16.621 -4.513 1.00 0.00 N ATOM 0 H ARG A 100 12.281 10.418 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 100 9.678 10.999 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.483 13.322 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.399 12.744 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.808 12.472 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.969 12.815 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.873 15.065 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.964 14.710 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 100 14.473 14.709 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.730 15.630 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.897 16.873 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.909 16.424 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.687 17.319 -3.844 1.00 0.00 H new ATOM 1541 N SER A 101 12.139 10.025 -7.746 1.00 0.00 N ATOM 1542 CA SER A 101 12.871 9.789 -8.956 1.00 0.00 C ATOM 1543 C SER A 101 12.035 9.142 -10.060 1.00 0.00 C ATOM 1544 O SER A 101 12.276 9.391 -11.246 1.00 0.00 O ATOM 1545 CB SER A 101 14.072 8.955 -8.623 1.00 0.00 C ATOM 1546 OG SER A 101 14.947 9.667 -7.760 1.00 0.00 O ATOM 0 H SER A 101 12.281 9.317 -7.026 1.00 0.00 H new ATOM 0 HA SER A 101 13.175 10.754 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.757 8.027 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.597 8.681 -9.538 1.00 0.00 H new ATOM 0 HG SER A 101 15.725 9.109 -7.550 1.00 0.00 H new ATOM 1552 N GLU A 102 11.076 8.338 -9.682 1.00 0.00 N ATOM 1553 CA GLU A 102 10.226 7.651 -10.658 1.00 0.00 C ATOM 1554 C GLU A 102 9.079 8.564 -10.999 1.00 0.00 C ATOM 1555 O GLU A 102 8.635 9.347 -10.165 1.00 0.00 O ATOM 1556 CB GLU A 102 9.628 6.357 -10.084 1.00 0.00 C ATOM 1557 CG GLU A 102 10.541 5.516 -9.197 1.00 0.00 C ATOM 1558 CD GLU A 102 11.810 5.002 -9.844 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.952 5.073 -11.065 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.696 4.505 -9.115 1.00 0.00 O ATOM 0 H GLU A 102 10.853 8.133 -8.708 1.00 0.00 H new ATOM 0 HA GLU A 102 10.836 7.402 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.740 6.618 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.296 5.737 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.817 6.111 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.972 4.661 -8.832 1.00 0.00 H new ATOM 1567 N GLU A 103 8.640 8.503 -12.215 1.00 0.00 N ATOM 1568 CA GLU A 103 7.497 9.254 -12.630 1.00 0.00 C ATOM 1569 C GLU A 103 6.207 8.422 -12.530 1.00 0.00 C ATOM 1570 O GLU A 103 5.418 8.611 -11.630 1.00 0.00 O ATOM 1571 CB GLU A 103 7.688 9.915 -14.022 1.00 0.00 C ATOM 1572 CG GLU A 103 8.344 9.051 -15.107 1.00 0.00 C ATOM 1573 CD GLU A 103 9.835 8.886 -14.952 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.599 9.739 -15.429 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.263 7.888 -14.360 1.00 0.00 O ATOM 0 H GLU A 103 9.062 7.933 -12.948 1.00 0.00 H new ATOM 0 HA GLU A 103 7.388 10.083 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.711 10.234 -14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.290 10.815 -13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.879 8.065 -15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.139 9.494 -16.081 1.00 0.00 H new ATOM 1582 N VAL A 104 6.011 7.515 -13.448 1.00 0.00 N ATOM 1583 CA VAL A 104 4.890 6.636 -13.430 1.00 0.00 C ATOM 1584 C VAL A 104 5.342 5.225 -13.106 1.00 0.00 C ATOM 1585 O VAL A 104 6.349 4.739 -13.634 1.00 0.00 O ATOM 1586 CB VAL A 104 4.030 6.720 -14.737 1.00 0.00 C ATOM 1587 CG1 VAL A 104 4.863 6.713 -15.973 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.019 5.601 -14.812 1.00 0.00 C ATOM 0 H VAL A 104 6.639 7.369 -14.238 1.00 0.00 H new ATOM 0 HA VAL A 104 4.218 6.962 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 104 3.507 7.675 -14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.216 6.773 -16.848 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.538 7.569 -15.962 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.445 5.792 -16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.442 5.693 -15.732 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.537 4.642 -14.803 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.348 5.659 -13.955 1.00 0.00 H new ATOM 1598 N VAL A 105 4.629 4.603 -12.213 1.00 0.00 N ATOM 1599 CA VAL A 105 4.982 3.309 -11.685 1.00 0.00 C ATOM 1600 C VAL A 105 3.789 2.359 -11.689 1.00 0.00 C ATOM 1601 O VAL A 105 2.643 2.789 -11.747 1.00 0.00 O ATOM 1602 CB VAL A 105 5.490 3.445 -10.233 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.836 4.148 -10.180 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.476 4.230 -9.428 1.00 0.00 C ATOM 0 H VAL A 105 3.768 4.985 -11.821 1.00 0.00 H new ATOM 0 HA VAL A 105 5.765 2.902 -12.325 1.00 0.00 H new ATOM 0 HB VAL A 105 5.616 2.446 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.165 4.227 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.568 3.576 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.742 5.146 -10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.826 4.331 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.350 5.219 -9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.521 3.705 -9.435 1.00 0.00 H new ATOM 1614 N ARG A 106 4.074 1.083 -11.562 1.00 0.00 N ATOM 1615 CA ARG A 106 3.053 0.042 -11.549 1.00 0.00 C ATOM 1616 C ARG A 106 3.209 -0.732 -10.297 1.00 0.00 C ATOM 1617 O ARG A 106 4.287 -1.299 -10.034 1.00 0.00 O ATOM 1618 CB ARG A 106 3.179 -0.880 -12.758 1.00 0.00 C ATOM 1619 CG ARG A 106 2.925 -0.155 -14.058 1.00 0.00 C ATOM 1620 CD ARG A 106 3.173 -1.020 -15.265 1.00 0.00 C ATOM 1621 NE ARG A 106 2.968 -0.251 -16.488 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.457 -0.548 -17.685 1.00 0.00 C ATOM 1623 NH1 ARG A 106 4.226 -1.626 -17.854 1.00 0.00 N ATOM 1624 NH2 ARG A 106 3.187 0.244 -18.711 1.00 0.00 N ATOM 0 H ARG A 106 5.025 0.728 -11.464 1.00 0.00 H new ATOM 0 HA ARG A 106 2.066 0.501 -11.598 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.177 -1.317 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.472 -1.704 -12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.894 0.199 -14.076 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.566 0.725 -14.109 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.190 -1.410 -15.239 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.502 -1.879 -15.250 1.00 0.00 H new ATOM 0 HE ARG A 106 2.397 0.591 -16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.442 -2.228 -17.060 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.598 -1.847 -18.778 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.608 1.073 -18.577 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.558 0.025 -19.636 1.00 0.00 H new ATOM 1638 N LEU A 107 2.207 -0.706 -9.470 1.00 0.00 N ATOM 1639 CA LEU A 107 2.292 -1.335 -8.226 1.00 0.00 C ATOM 1640 C LEU A 107 1.208 -2.388 -8.185 1.00 0.00 C ATOM 1641 O LEU A 107 0.209 -2.273 -8.882 1.00 0.00 O ATOM 1642 CB LEU A 107 2.090 -0.308 -7.083 1.00 0.00 C ATOM 1643 CG LEU A 107 2.726 1.115 -7.234 1.00 0.00 C ATOM 1644 CD1 LEU A 107 4.145 1.101 -7.709 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.868 2.052 -8.052 1.00 0.00 C ATOM 0 H LEU A 107 1.317 -0.244 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 107 3.275 -1.786 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.017 -0.178 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.482 -0.750 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 107 2.760 1.512 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.512 2.124 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.761 0.548 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.197 0.621 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.357 3.023 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.730 1.640 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.897 2.169 -7.571 1.00 0.00 H new ATOM 1657 N LEU A 108 1.417 -3.400 -7.442 1.00 0.00 N ATOM 1658 CA LEU A 108 0.453 -4.448 -7.294 1.00 0.00 C ATOM 1659 C LEU A 108 -0.004 -4.522 -5.899 1.00 0.00 C ATOM 1660 O LEU A 108 0.810 -4.553 -4.982 1.00 0.00 O ATOM 1661 CB LEU A 108 1.016 -5.792 -7.698 1.00 0.00 C ATOM 1662 CG LEU A 108 0.699 -6.268 -9.100 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.428 -5.445 -10.152 1.00 0.00 C ATOM 1664 CD2 LEU A 108 1.011 -7.738 -9.238 1.00 0.00 C ATOM 0 H LEU A 108 2.272 -3.540 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.383 -4.212 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.100 -5.754 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.651 -6.540 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.368 -6.126 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.175 -5.817 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.128 -4.400 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.504 -5.527 -9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.778 -8.066 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.069 -7.906 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.412 -8.306 -8.526 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.283 -4.565 -5.730 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.866 -4.639 -4.420 1.00 0.00 C ATOM 1678 C VAL A 109 -2.906 -5.722 -4.384 1.00 0.00 C ATOM 1679 O VAL A 109 -3.476 -6.084 -5.428 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.530 -3.311 -3.952 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.563 -2.164 -3.978 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.799 -2.967 -4.725 1.00 0.00 C ATOM 0 H VAL A 109 -1.960 -4.550 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.041 -4.851 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.830 -3.483 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.066 -1.256 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.725 -2.379 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.194 -2.022 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.211 -2.031 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.563 -2.861 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.531 -3.764 -4.595 1.00 0.00 H new ATOM 1692 N THR A 110 -3.141 -6.262 -3.230 1.00 0.00 N ATOM 1693 CA THR A 110 -4.195 -7.199 -3.070 1.00 0.00 C ATOM 1694 C THR A 110 -5.279 -6.537 -2.236 1.00 0.00 C ATOM 1695 O THR A 110 -4.990 -5.691 -1.379 1.00 0.00 O ATOM 1696 CB THR A 110 -3.714 -8.522 -2.407 1.00 0.00 C ATOM 1697 OG1 THR A 110 -3.351 -8.292 -1.053 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.496 -9.051 -3.122 1.00 0.00 C ATOM 0 H THR A 110 -2.610 -6.065 -2.382 1.00 0.00 H new ATOM 0 HA THR A 110 -4.580 -7.478 -4.051 1.00 0.00 H new ATOM 0 HB THR A 110 -4.532 -9.240 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.052 -9.132 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.170 -9.977 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.742 -9.245 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.694 -8.314 -3.069 1.00 0.00 H new