USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 538 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 36 GLN : amide:sc= -2.54! C(o=-2.5!,f=-3.3!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.734 K(o=-0.73,f=0.7) USER MOD Single : A 15 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0762) USER MOD Single : A 21 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.3!) USER MOD Single : A 25 SER OG : rot -101:sc= -0.446! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 0:sc= 0.322 USER MOD Single : A 34 CYS SG : rot 120:sc= -0.752 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -173:sc= -2.54! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.0249 (180deg=-0.268) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.2 USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.262 (180deg=-1.47!) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.285) USER MOD Single : A 59 GLN : amide:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 61 SER OG : rot 88:sc= 0.764 USER MOD Single : A 62 MET CE :methyl 173:sc= -0.251 (180deg=-0.32) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= -0.253 (180deg=-1.34!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -104:sc= -2.32 (180deg=-5.11!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.725 -1.038 7.122 1.00 0.00 N ATOM 144 CA ASN A 12 -8.572 -0.138 6.350 1.00 0.00 C ATOM 145 C ASN A 12 -7.864 1.197 6.134 1.00 0.00 C ATOM 146 O ASN A 12 -7.921 2.088 6.982 1.00 0.00 O ATOM 147 CB ASN A 12 -9.909 0.091 7.070 1.00 0.00 C ATOM 148 CG ASN A 12 -9.682 0.171 8.575 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.869 0.970 9.040 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.358 -0.613 9.371 1.00 0.00 N ATOM 0 HA ASN A 12 -8.769 -0.597 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.370 1.012 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.599 -0.721 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.213 -0.564 10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.031 -1.274 8.984 1.00 0.00 H new ATOM 157 N LEU A 13 -7.205 1.327 4.989 1.00 0.00 N ATOM 158 CA LEU A 13 -6.494 2.556 4.658 1.00 0.00 C ATOM 159 C LEU A 13 -5.532 2.942 5.781 1.00 0.00 C ATOM 160 O LEU A 13 -5.573 2.371 6.872 1.00 0.00 O ATOM 161 CB LEU A 13 -7.498 3.691 4.416 1.00 0.00 C ATOM 162 CG LEU A 13 -8.739 3.144 3.703 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.658 4.305 3.318 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.317 2.388 2.438 1.00 0.00 C ATOM 0 H LEU A 13 -7.148 0.599 4.276 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.915 2.387 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.783 4.145 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.037 4.474 3.814 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.268 2.464 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.541 3.917 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.962 4.842 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.126 4.985 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.202 2.000 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.786 3.065 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.663 1.560 2.710 1.00 0.00 H new ATOM 176 N ALA A 14 -4.668 3.918 5.505 1.00 0.00 N ATOM 177 CA ALA A 14 -3.699 4.377 6.498 1.00 0.00 C ATOM 178 C ALA A 14 -4.342 5.390 7.443 1.00 0.00 C ATOM 179 O ALA A 14 -5.335 5.089 8.106 1.00 0.00 O ATOM 180 CB ALA A 14 -2.496 5.011 5.796 1.00 0.00 C ATOM 0 H ALA A 14 -4.619 4.403 4.609 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.364 3.519 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.777 5.351 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.024 4.274 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.829 5.860 5.199 1.00 0.00 H new ATOM 186 N ASN A 15 -3.771 6.591 7.503 1.00 0.00 N ATOM 187 CA ASN A 15 -4.300 7.635 8.373 1.00 0.00 C ATOM 188 C ASN A 15 -3.812 9.010 7.926 1.00 0.00 C ATOM 189 O ASN A 15 -4.445 9.664 7.098 1.00 0.00 O ATOM 190 CB ASN A 15 -3.866 7.382 9.818 1.00 0.00 C ATOM 191 CG ASN A 15 -4.607 6.175 10.382 1.00 0.00 C ATOM 192 OD1 ASN A 15 -5.809 6.247 10.636 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.957 5.063 10.594 1.00 0.00 N ATOM 0 H ASN A 15 -2.949 6.863 6.964 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.388 7.613 8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.790 7.210 9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.071 8.262 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.445 4.251 10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.961 5.006 10.382 1.00 0.00 H new ATOM 200 N ARG A 16 -2.684 9.441 8.480 1.00 0.00 N ATOM 201 CA ARG A 16 -2.124 10.741 8.130 1.00 0.00 C ATOM 202 C ARG A 16 -1.673 10.750 6.670 1.00 0.00 C ATOM 203 O ARG A 16 -2.410 11.197 5.792 1.00 0.00 O ATOM 204 CB ARG A 16 -0.950 11.072 9.056 1.00 0.00 C ATOM 205 CG ARG A 16 -1.330 10.730 10.499 1.00 0.00 C ATOM 206 CD ARG A 16 -0.194 11.131 11.441 1.00 0.00 C ATOM 207 NE ARG A 16 -0.670 11.169 12.818 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.933 10.051 13.487 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.765 8.892 12.909 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.358 10.111 14.718 1.00 0.00 N ATOM 0 H ARG A 16 -2.144 8.915 9.167 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.894 11.502 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.066 10.508 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.696 12.129 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.246 11.251 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.530 9.662 10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.629 10.421 11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.196 12.108 11.156 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.804 12.070 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.432 8.846 11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.966 8.033 13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.489 11.017 15.169 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.560 9.252 15.230 1.00 0.00 H new ATOM 224 N LYS A 17 -0.471 10.239 6.410 1.00 0.00 N ATOM 225 CA LYS A 17 0.043 10.185 5.046 1.00 0.00 C ATOM 226 C LYS A 17 1.348 9.397 4.989 1.00 0.00 C ATOM 227 O LYS A 17 1.650 8.615 5.892 1.00 0.00 O ATOM 228 CB LYS A 17 0.253 11.598 4.489 1.00 0.00 C ATOM 229 CG LYS A 17 1.283 12.358 5.326 1.00 0.00 C ATOM 230 CD LYS A 17 1.504 13.744 4.710 1.00 0.00 C ATOM 231 CE LYS A 17 2.773 14.371 5.292 1.00 0.00 C ATOM 232 NZ LYS A 17 2.570 14.644 6.741 1.00 0.00 N ATOM 0 H LYS A 17 0.158 9.861 7.118 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.696 9.674 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.589 11.541 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.693 12.139 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.935 12.455 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.223 11.806 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.592 13.661 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.645 14.384 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.620 13.700 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.009 15.296 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.398 15.147 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.721 15.231 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.449 13.745 7.250 1.00 0.00 H new ATOM 246 N ILE A 18 2.112 9.596 3.915 1.00 0.00 N ATOM 247 CA ILE A 18 3.381 8.888 3.730 1.00 0.00 C ATOM 248 C ILE A 18 4.430 9.847 3.135 1.00 0.00 C ATOM 249 O ILE A 18 4.122 10.570 2.188 1.00 0.00 O ATOM 250 CB ILE A 18 3.134 7.693 2.774 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.536 6.503 3.559 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.425 7.260 2.053 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.640 5.670 4.225 1.00 0.00 C ATOM 0 H ILE A 18 1.876 10.240 3.160 1.00 0.00 H new ATOM 0 HA ILE A 18 3.757 8.523 4.686 1.00 0.00 H new ATOM 0 HB ILE A 18 2.426 8.018 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.847 6.873 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.957 5.872 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.209 6.420 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.811 8.093 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.170 6.960 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.191 4.840 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.313 5.281 3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.201 6.297 4.917 1.00 0.00 H new ATOM 265 N PRO A 19 5.653 9.880 3.641 1.00 0.00 N ATOM 266 CA PRO A 19 6.704 10.789 3.085 1.00 0.00 C ATOM 267 C PRO A 19 6.996 10.475 1.614 1.00 0.00 C ATOM 268 O PRO A 19 7.142 9.312 1.235 1.00 0.00 O ATOM 269 CB PRO A 19 7.932 10.534 3.983 1.00 0.00 C ATOM 270 CG PRO A 19 7.689 9.193 4.594 1.00 0.00 C ATOM 271 CD PRO A 19 6.183 9.087 4.773 1.00 0.00 C ATOM 0 HA PRO A 19 6.399 11.836 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.855 10.542 3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.029 11.305 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.063 8.397 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.204 9.100 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.844 8.052 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.862 9.491 5.733 1.00 0.00 H new ATOM 279 N LEU A 20 7.061 11.518 0.791 1.00 0.00 N ATOM 280 CA LEU A 20 7.313 11.346 -0.639 1.00 0.00 C ATOM 281 C LEU A 20 8.760 10.920 -0.912 1.00 0.00 C ATOM 282 O LEU A 20 9.046 10.312 -1.943 1.00 0.00 O ATOM 283 CB LEU A 20 6.997 12.660 -1.385 1.00 0.00 C ATOM 284 CG LEU A 20 5.505 12.718 -1.739 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.669 12.701 -0.460 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.212 13.999 -2.521 1.00 0.00 C ATOM 0 H LEU A 20 6.943 12.487 1.087 1.00 0.00 H new ATOM 0 HA LEU A 20 6.661 10.552 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.265 13.514 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.597 12.726 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 20 5.249 11.852 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.610 12.742 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.872 11.785 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.927 13.563 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.152 14.038 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.473 14.865 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.802 14.009 -3.438 1.00 0.00 H new ATOM 298 N GLN A 21 9.666 11.251 0.000 1.00 0.00 N ATOM 299 CA GLN A 21 11.075 10.903 -0.181 1.00 0.00 C ATOM 300 C GLN A 21 11.285 9.387 -0.197 1.00 0.00 C ATOM 301 O GLN A 21 12.130 8.881 -0.935 1.00 0.00 O ATOM 302 CB GLN A 21 11.916 11.526 0.940 1.00 0.00 C ATOM 303 CG GLN A 21 11.215 11.320 2.283 1.00 0.00 C ATOM 304 CD GLN A 21 12.158 11.689 3.424 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.369 11.493 3.317 1.00 0.00 O ATOM 306 NE2 GLN A 21 11.673 12.214 4.515 1.00 0.00 N ATOM 0 H GLN A 21 9.457 11.754 0.863 1.00 0.00 H new ATOM 0 HA GLN A 21 11.392 11.299 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.906 11.070 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.059 12.590 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.315 11.933 2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.899 10.282 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.670 12.375 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.297 12.463 5.282 1.00 0.00 H new ATOM 315 N ARG A 22 10.528 8.671 0.630 1.00 0.00 N ATOM 316 CA ARG A 22 10.657 7.214 0.714 1.00 0.00 C ATOM 317 C ARG A 22 9.757 6.514 -0.304 1.00 0.00 C ATOM 318 O ARG A 22 10.201 5.620 -1.025 1.00 0.00 O ATOM 319 CB ARG A 22 10.297 6.758 2.133 1.00 0.00 C ATOM 320 CG ARG A 22 11.427 7.159 3.119 1.00 0.00 C ATOM 321 CD ARG A 22 10.830 7.645 4.446 1.00 0.00 C ATOM 322 NE ARG A 22 11.878 7.798 5.450 1.00 0.00 N ATOM 323 CZ ARG A 22 12.493 6.742 5.974 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.170 5.540 5.586 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.422 6.909 6.875 1.00 0.00 N ATOM 0 H ARG A 22 9.822 9.070 1.249 1.00 0.00 H new ATOM 0 HA ARG A 22 11.688 6.944 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.355 7.211 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.152 5.678 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.082 6.306 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.040 7.945 2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.320 8.597 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.082 6.934 4.797 1.00 0.00 H new ATOM 0 HE ARG A 22 12.144 8.734 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.445 5.409 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.642 4.730 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.676 7.849 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.894 6.099 7.277 1.00 0.00 H new ATOM 339 N LEU A 23 8.495 6.927 -0.357 1.00 0.00 N ATOM 340 CA LEU A 23 7.530 6.339 -1.290 1.00 0.00 C ATOM 341 C LEU A 23 8.194 6.078 -2.648 1.00 0.00 C ATOM 342 O LEU A 23 8.940 6.914 -3.156 1.00 0.00 O ATOM 343 CB LEU A 23 6.322 7.305 -1.396 1.00 0.00 C ATOM 344 CG LEU A 23 5.563 7.217 -2.741 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.381 7.855 -3.894 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.174 5.752 -3.068 1.00 0.00 C ATOM 0 H LEU A 23 8.113 7.666 0.233 1.00 0.00 H new ATOM 0 HA LEU A 23 7.177 5.372 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.627 7.092 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.674 8.327 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 23 4.641 7.790 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.820 7.777 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.567 8.905 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.332 7.332 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.642 5.720 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.075 5.143 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.531 5.362 -2.279 1.00 0.00 H new ATOM 358 N GLU A 24 7.936 4.897 -3.220 1.00 0.00 N ATOM 359 CA GLU A 24 8.524 4.518 -4.513 1.00 0.00 C ATOM 360 C GLU A 24 7.478 4.595 -5.626 1.00 0.00 C ATOM 361 O GLU A 24 7.607 5.389 -6.558 1.00 0.00 O ATOM 362 CB GLU A 24 9.083 3.092 -4.421 1.00 0.00 C ATOM 363 CG GLU A 24 9.504 2.586 -5.808 1.00 0.00 C ATOM 364 CD GLU A 24 10.396 3.612 -6.501 1.00 0.00 C ATOM 365 OE1 GLU A 24 11.494 3.837 -6.019 1.00 0.00 O ATOM 366 OE2 GLU A 24 9.966 4.158 -7.504 1.00 0.00 O ATOM 0 H GLU A 24 7.327 4.188 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 24 9.329 5.213 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.939 3.074 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.330 2.427 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.036 1.639 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.620 2.394 -6.416 1.00 0.00 H new ATOM 373 N SER A 25 6.440 3.764 -5.519 1.00 0.00 N ATOM 374 CA SER A 25 5.370 3.741 -6.517 1.00 0.00 C ATOM 375 C SER A 25 4.048 3.328 -5.872 1.00 0.00 C ATOM 376 O SER A 25 3.987 3.100 -4.664 1.00 0.00 O ATOM 377 CB SER A 25 5.721 2.761 -7.636 1.00 0.00 C ATOM 378 OG SER A 25 4.584 2.570 -8.467 1.00 0.00 O ATOM 0 H SER A 25 6.318 3.100 -4.754 1.00 0.00 H new ATOM 0 HA SER A 25 5.263 4.743 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.555 3.146 -8.224 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.041 1.809 -7.214 1.00 0.00 H new ATOM 0 HG SER A 25 4.150 1.722 -8.237 1.00 0.00 H new ATOM 384 N TYR A 26 2.990 3.232 -6.684 1.00 0.00 N ATOM 385 CA TYR A 26 1.666 2.842 -6.179 1.00 0.00 C ATOM 386 C TYR A 26 1.109 1.661 -6.972 1.00 0.00 C ATOM 387 O TYR A 26 1.557 1.378 -8.084 1.00 0.00 O ATOM 388 CB TYR A 26 0.694 4.028 -6.267 1.00 0.00 C ATOM 389 CG TYR A 26 0.323 4.295 -7.709 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.186 5.031 -8.529 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.885 3.808 -8.222 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.841 5.280 -9.863 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.230 4.056 -9.556 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.366 4.792 -10.376 1.00 0.00 C ATOM 395 OH TYR A 26 -0.707 5.038 -11.691 1.00 0.00 O ATOM 0 H TYR A 26 3.022 3.417 -7.687 1.00 0.00 H new ATOM 0 HA TYR A 26 1.775 2.542 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.204 3.815 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.152 4.916 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.118 5.407 -8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.551 3.241 -7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.506 5.849 -10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.162 3.680 -9.952 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.576 4.628 -11.886 1.00 0.00 H new ATOM 405 N ARG A 27 0.124 0.983 -6.391 1.00 0.00 N ATOM 406 CA ARG A 27 -0.500 -0.164 -7.045 1.00 0.00 C ATOM 407 C ARG A 27 -1.879 -0.421 -6.446 1.00 0.00 C ATOM 408 O ARG A 27 -2.065 -0.322 -5.233 1.00 0.00 O ATOM 409 CB ARG A 27 0.387 -1.408 -6.886 1.00 0.00 C ATOM 410 CG ARG A 27 0.550 -1.780 -5.388 1.00 0.00 C ATOM 411 CD ARG A 27 -0.402 -2.923 -5.004 1.00 0.00 C ATOM 412 NE ARG A 27 -0.134 -3.364 -3.638 1.00 0.00 N ATOM 413 CZ ARG A 27 -0.470 -4.584 -3.229 1.00 0.00 C ATOM 414 NH1 ARG A 27 -1.057 -5.409 -4.053 1.00 0.00 N ATOM 415 NH2 ARG A 27 -0.214 -4.955 -2.005 1.00 0.00 N ATOM 0 H ARG A 27 -0.259 1.206 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.613 0.053 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.053 -2.245 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.366 -1.221 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.580 -2.077 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.347 -0.907 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.436 -2.589 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.278 -3.757 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 27 0.319 -2.724 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.258 -5.118 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.315 -6.345 -3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.244 -4.309 -1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.472 -5.891 -1.691 1.00 0.00 H new ATOM 429 N ARG A 28 -2.846 -0.739 -7.301 1.00 0.00 N ATOM 430 CA ARG A 28 -4.208 -0.991 -6.837 1.00 0.00 C ATOM 431 C ARG A 28 -4.293 -2.353 -6.142 1.00 0.00 C ATOM 432 O ARG A 28 -3.437 -3.215 -6.337 1.00 0.00 O ATOM 433 CB ARG A 28 -5.187 -0.921 -8.035 1.00 0.00 C ATOM 434 CG ARG A 28 -6.395 -0.033 -7.696 1.00 0.00 C ATOM 435 CD ARG A 28 -7.417 -0.105 -8.831 1.00 0.00 C ATOM 436 NE ARG A 28 -6.779 0.207 -10.105 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.502 0.496 -11.182 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.805 0.503 -11.112 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.907 0.772 -12.312 1.00 0.00 N ATOM 0 H ARG A 28 -2.715 -0.828 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.487 -0.227 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.672 -0.525 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.527 -1.924 -8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.850 -0.361 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.072 0.998 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.857 -1.101 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.231 0.595 -8.642 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.761 0.203 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.270 0.287 -10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.359 0.725 -11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.889 0.766 -12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.461 0.994 -13.139 1.00 0.00 H new ATOM 453 N ILE A 29 -5.335 -2.534 -5.326 1.00 0.00 N ATOM 454 CA ILE A 29 -5.532 -3.792 -4.593 1.00 0.00 C ATOM 455 C ILE A 29 -6.601 -4.643 -5.281 1.00 0.00 C ATOM 456 O ILE A 29 -6.295 -5.665 -5.894 1.00 0.00 O ATOM 457 CB ILE A 29 -5.940 -3.502 -3.121 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.481 -2.089 -2.725 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.286 -4.530 -2.185 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.851 -1.802 -1.266 1.00 0.00 C ATOM 0 H ILE A 29 -6.053 -1.830 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.592 -4.345 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.024 -3.572 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.403 -1.998 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.947 -1.351 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.576 -4.321 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.616 -5.532 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.202 -4.467 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.521 -0.799 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.932 -1.873 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.364 -2.530 -0.617 1.00 0.00 H new ATOM 472 N THR A 30 -7.855 -4.212 -5.175 1.00 0.00 N ATOM 473 CA THR A 30 -8.960 -4.940 -5.788 1.00 0.00 C ATOM 474 C THR A 30 -8.881 -6.425 -5.448 1.00 0.00 C ATOM 475 O THR A 30 -7.978 -6.861 -4.732 1.00 0.00 O ATOM 476 CB THR A 30 -8.923 -4.762 -7.308 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.805 -5.461 -7.838 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.805 -3.276 -7.647 1.00 0.00 C ATOM 0 H THR A 30 -8.130 -3.367 -4.673 1.00 0.00 H new ATOM 0 HA THR A 30 -9.895 -4.539 -5.396 1.00 0.00 H new ATOM 0 HB THR A 30 -9.840 -5.159 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.316 -5.896 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.779 -3.151 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.663 -2.741 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.889 -2.875 -7.213 1.00 0.00 H new ATOM 526 N CYS A 34 -10.826 -6.473 -0.077 1.00 0.00 N ATOM 527 CA CYS A 34 -10.268 -5.206 0.384 1.00 0.00 C ATOM 528 C CYS A 34 -11.359 -4.130 0.432 1.00 0.00 C ATOM 529 O CYS A 34 -12.308 -4.180 -0.350 1.00 0.00 O ATOM 530 CB CYS A 34 -9.147 -4.769 -0.559 1.00 0.00 C ATOM 531 SG CYS A 34 -7.707 -5.839 -0.309 1.00 0.00 S ATOM 0 HA CYS A 34 -9.866 -5.339 1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.483 -4.827 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.880 -3.729 -0.369 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.422 -6.450 -1.420 1.00 0.00 H new ATOM 536 N PRO A 35 -11.253 -3.166 1.322 1.00 0.00 N ATOM 537 CA PRO A 35 -12.264 -2.077 1.444 1.00 0.00 C ATOM 538 C PRO A 35 -12.840 -1.660 0.091 1.00 0.00 C ATOM 539 O PRO A 35 -14.057 -1.585 -0.079 1.00 0.00 O ATOM 540 CB PRO A 35 -11.463 -0.942 2.081 1.00 0.00 C ATOM 541 CG PRO A 35 -10.463 -1.630 2.961 1.00 0.00 C ATOM 542 CD PRO A 35 -10.169 -2.996 2.311 1.00 0.00 C ATOM 0 HA PRO A 35 -13.136 -2.378 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.971 -0.331 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.107 -0.278 2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.552 -1.038 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.857 -1.758 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.189 -3.008 1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.174 -3.798 3.049 1.00 0.00 H new ATOM 550 N GLN A 36 -11.957 -1.393 -0.865 1.00 0.00 N ATOM 551 CA GLN A 36 -12.388 -0.985 -2.198 1.00 0.00 C ATOM 552 C GLN A 36 -11.181 -0.795 -3.110 1.00 0.00 C ATOM 553 O GLN A 36 -10.041 -1.003 -2.696 1.00 0.00 O ATOM 554 CB GLN A 36 -13.179 0.323 -2.113 1.00 0.00 C ATOM 555 CG GLN A 36 -12.431 1.317 -1.220 1.00 0.00 C ATOM 556 CD GLN A 36 -13.114 2.679 -1.272 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.087 3.349 -2.304 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.728 3.131 -0.212 1.00 0.00 N ATOM 0 H GLN A 36 -10.946 -1.451 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.025 -1.766 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.314 0.744 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.174 0.133 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.408 0.951 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.396 1.407 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.749 2.574 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.187 4.042 -0.238 1.00 0.00 H new ATOM 567 N LYS A 37 -11.439 -0.395 -4.352 1.00 0.00 N ATOM 568 CA LYS A 37 -10.360 -0.176 -5.309 1.00 0.00 C ATOM 569 C LYS A 37 -9.443 0.938 -4.820 1.00 0.00 C ATOM 570 O LYS A 37 -9.464 2.052 -5.344 1.00 0.00 O ATOM 571 CB LYS A 37 -10.938 0.193 -6.676 1.00 0.00 C ATOM 572 CG LYS A 37 -12.059 -0.783 -7.038 1.00 0.00 C ATOM 573 CD LYS A 37 -12.387 -0.658 -8.528 1.00 0.00 C ATOM 574 CE LYS A 37 -13.716 -1.355 -8.821 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.089 -1.138 -10.247 1.00 0.00 N ATOM 0 H LYS A 37 -12.375 -0.218 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.783 -1.096 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.322 1.213 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.155 0.161 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.755 -1.804 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.946 -0.571 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.446 0.393 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.591 -1.104 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.632 -2.422 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.495 -0.964 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.993 -1.612 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.186 -0.119 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.349 -1.531 -10.863 1.00 0.00 H new ATOM 589 N ALA A 38 -8.644 0.630 -3.801 1.00 0.00 N ATOM 590 CA ALA A 38 -7.722 1.606 -3.224 1.00 0.00 C ATOM 591 C ALA A 38 -6.348 1.505 -3.882 1.00 0.00 C ATOM 592 O ALA A 38 -6.087 0.584 -4.653 1.00 0.00 O ATOM 593 CB ALA A 38 -7.602 1.360 -1.713 1.00 0.00 C ATOM 0 H ALA A 38 -8.616 -0.288 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.111 2.609 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.915 2.087 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.582 1.466 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.224 0.353 -1.537 1.00 0.00 H new ATOM 599 N VAL A 39 -5.470 2.462 -3.565 1.00 0.00 N ATOM 600 CA VAL A 39 -4.112 2.481 -4.120 1.00 0.00 C ATOM 601 C VAL A 39 -3.089 2.293 -3.001 1.00 0.00 C ATOM 602 O VAL A 39 -3.063 3.054 -2.033 1.00 0.00 O ATOM 603 CB VAL A 39 -3.864 3.805 -4.857 1.00 0.00 C ATOM 604 CG1 VAL A 39 -5.065 4.114 -5.755 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.673 4.945 -3.851 1.00 0.00 C ATOM 0 H VAL A 39 -5.674 3.232 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.005 1.662 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.962 3.713 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.894 5.053 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.193 3.310 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.964 4.198 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.498 5.878 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.568 5.042 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.817 4.727 -3.213 1.00 0.00 H new ATOM 615 N ILE A 40 -2.261 1.260 -3.133 1.00 0.00 N ATOM 616 CA ILE A 40 -1.246 0.949 -2.125 1.00 0.00 C ATOM 617 C ILE A 40 0.095 1.602 -2.472 1.00 0.00 C ATOM 618 O ILE A 40 0.715 1.265 -3.479 1.00 0.00 O ATOM 619 CB ILE A 40 -1.090 -0.591 -2.034 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.163 -1.166 -1.101 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.296 -0.986 -1.498 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.214 -2.688 -1.251 1.00 0.00 C ATOM 0 H ILE A 40 -2.272 0.622 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.564 1.348 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.203 -0.996 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.941 -0.900 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.135 -0.735 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.370 -2.072 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.067 -0.600 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.434 -0.566 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.977 -3.094 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.457 -2.944 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.244 -3.112 -0.991 1.00 0.00 H new ATOM 634 N PHE A 41 0.554 2.511 -1.607 1.00 0.00 N ATOM 635 CA PHE A 41 1.845 3.168 -1.817 1.00 0.00 C ATOM 636 C PHE A 41 2.941 2.327 -1.175 1.00 0.00 C ATOM 637 O PHE A 41 2.923 2.092 0.033 1.00 0.00 O ATOM 638 CB PHE A 41 1.853 4.565 -1.188 1.00 0.00 C ATOM 639 CG PHE A 41 0.803 5.431 -1.842 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.971 5.863 -3.164 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.331 5.816 -1.121 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.001 6.676 -3.763 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.295 6.628 -1.718 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.132 7.060 -3.039 1.00 0.00 C ATOM 0 H PHE A 41 0.058 2.805 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 41 2.018 3.266 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.661 4.492 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.836 5.020 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.848 5.569 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.461 5.485 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.128 7.006 -4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.170 6.924 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.880 7.689 -3.499 1.00 0.00 H new ATOM 654 N LYS A 42 3.892 1.865 -1.983 1.00 0.00 N ATOM 655 CA LYS A 42 4.988 1.037 -1.472 1.00 0.00 C ATOM 656 C LYS A 42 6.250 1.869 -1.270 1.00 0.00 C ATOM 657 O LYS A 42 6.760 2.483 -2.207 1.00 0.00 O ATOM 658 CB LYS A 42 5.268 -0.111 -2.447 1.00 0.00 C ATOM 659 CG LYS A 42 5.909 0.429 -3.734 1.00 0.00 C ATOM 660 CD LYS A 42 5.717 -0.578 -4.874 1.00 0.00 C ATOM 661 CE LYS A 42 6.188 -1.963 -4.423 1.00 0.00 C ATOM 662 NZ LYS A 42 6.314 -2.856 -5.610 1.00 0.00 N ATOM 0 H LYS A 42 3.929 2.046 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 42 4.691 0.628 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.930 -0.840 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.340 -0.630 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.459 1.385 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.972 0.611 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.667 -0.617 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.279 -0.260 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.147 -1.884 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.480 -2.385 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.634 -3.797 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.390 -2.940 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.006 -2.454 -6.275 1.00 0.00 H new ATOM 676 N THR A 43 6.749 1.881 -0.034 1.00 0.00 N ATOM 677 CA THR A 43 7.961 2.634 0.305 1.00 0.00 C ATOM 678 C THR A 43 9.083 1.667 0.675 1.00 0.00 C ATOM 679 O THR A 43 8.827 0.526 1.058 1.00 0.00 O ATOM 680 CB THR A 43 7.686 3.579 1.491 1.00 0.00 C ATOM 681 OG1 THR A 43 8.051 2.936 2.701 1.00 0.00 O ATOM 682 CG2 THR A 43 6.199 3.940 1.552 1.00 0.00 C ATOM 0 H THR A 43 6.334 1.378 0.751 1.00 0.00 H new ATOM 0 HA THR A 43 8.260 3.225 -0.560 1.00 0.00 H new ATOM 0 HB THR A 43 8.272 4.488 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.776 3.489 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.021 4.608 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.907 4.437 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.609 3.032 1.678 1.00 0.00 H new ATOM 690 N LYS A 44 10.324 2.129 0.565 1.00 0.00 N ATOM 691 CA LYS A 44 11.470 1.289 0.900 1.00 0.00 C ATOM 692 C LYS A 44 11.579 1.126 2.412 1.00 0.00 C ATOM 693 O LYS A 44 12.646 1.324 2.995 1.00 0.00 O ATOM 694 CB LYS A 44 12.756 1.914 0.356 1.00 0.00 C ATOM 695 CG LYS A 44 12.846 3.374 0.802 1.00 0.00 C ATOM 696 CD LYS A 44 14.240 3.919 0.489 1.00 0.00 C ATOM 697 CE LYS A 44 14.240 5.442 0.639 1.00 0.00 C ATOM 698 NZ LYS A 44 15.641 5.946 0.584 1.00 0.00 N ATOM 0 H LYS A 44 10.562 3.070 0.250 1.00 0.00 H new ATOM 0 HA LYS A 44 11.328 0.309 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.622 1.359 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.769 1.854 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.089 3.969 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.645 3.452 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.974 3.477 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.530 3.643 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.647 5.896 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.777 5.725 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.642 6.981 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.193 5.522 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.067 5.688 -0.329 1.00 0.00 H new ATOM 712 N LEU A 45 10.461 0.772 3.044 1.00 0.00 N ATOM 713 CA LEU A 45 10.416 0.589 4.497 1.00 0.00 C ATOM 714 C LEU A 45 10.494 -0.900 4.841 1.00 0.00 C ATOM 715 O LEU A 45 11.585 -1.453 4.984 1.00 0.00 O ATOM 716 CB LEU A 45 9.107 1.208 5.046 1.00 0.00 C ATOM 717 CG LEU A 45 9.322 2.659 5.549 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.910 2.639 6.968 1.00 0.00 C ATOM 719 CD2 LEU A 45 10.258 3.450 4.606 1.00 0.00 C ATOM 0 H LEU A 45 9.572 0.606 2.573 1.00 0.00 H new ATOM 0 HA LEU A 45 11.268 1.089 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.347 1.203 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.729 0.593 5.862 1.00 0.00 H new ATOM 0 HG LEU A 45 8.353 3.158 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.058 3.662 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.223 2.124 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.867 2.117 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.388 4.463 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.227 2.954 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.820 3.491 3.609 1.00 0.00 H new ATOM 731 N ALA A 46 9.337 -1.546 4.978 1.00 0.00 N ATOM 732 CA ALA A 46 9.311 -2.966 5.312 1.00 0.00 C ATOM 733 C ALA A 46 7.914 -3.552 5.134 1.00 0.00 C ATOM 734 O ALA A 46 7.729 -4.767 5.215 1.00 0.00 O ATOM 735 CB ALA A 46 9.764 -3.169 6.758 1.00 0.00 C ATOM 0 H ALA A 46 8.419 -1.115 4.865 1.00 0.00 H new ATOM 0 HA ALA A 46 9.991 -3.482 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.742 -4.231 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.779 -2.790 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.094 -2.630 7.428 1.00 0.00 H new ATOM 741 N LYS A 47 6.928 -2.689 4.894 1.00 0.00 N ATOM 742 CA LYS A 47 5.550 -3.148 4.714 1.00 0.00 C ATOM 743 C LYS A 47 4.776 -2.182 3.814 1.00 0.00 C ATOM 744 O LYS A 47 5.112 -1.003 3.709 1.00 0.00 O ATOM 745 CB LYS A 47 4.844 -3.309 6.085 1.00 0.00 C ATOM 746 CG LYS A 47 5.537 -2.459 7.160 1.00 0.00 C ATOM 747 CD LYS A 47 5.422 -0.972 6.811 1.00 0.00 C ATOM 748 CE LYS A 47 5.777 -0.134 8.041 1.00 0.00 C ATOM 749 NZ LYS A 47 4.653 -0.187 9.019 1.00 0.00 N ATOM 0 H LYS A 47 7.054 -1.680 4.820 1.00 0.00 H new ATOM 0 HA LYS A 47 5.573 -4.123 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.799 -3.011 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.853 -4.358 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.083 -2.648 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.587 -2.742 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.090 -0.728 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.409 -0.742 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.691 -0.511 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.970 0.898 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.725 0.617 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.747 -0.138 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.701 -1.077 9.555 1.00 0.00 H new ATOM 763 N ASP A 48 3.744 -2.708 3.158 1.00 0.00 N ATOM 764 CA ASP A 48 2.921 -1.913 2.252 1.00 0.00 C ATOM 765 C ASP A 48 1.877 -1.100 3.016 1.00 0.00 C ATOM 766 O ASP A 48 1.420 -1.501 4.086 1.00 0.00 O ATOM 767 CB ASP A 48 2.218 -2.836 1.256 1.00 0.00 C ATOM 768 CG ASP A 48 3.221 -3.371 0.240 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.132 -2.638 -0.106 1.00 0.00 O ATOM 770 OD2 ASP A 48 3.064 -4.508 -0.177 1.00 0.00 O ATOM 0 H ASP A 48 3.458 -3.684 3.238 1.00 0.00 H new ATOM 0 HA ASP A 48 3.574 -1.219 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.748 -3.665 1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.424 -2.293 0.744 1.00 0.00 H new ATOM 775 N ILE A 49 1.505 0.047 2.446 1.00 0.00 N ATOM 776 CA ILE A 49 0.509 0.935 3.054 1.00 0.00 C ATOM 777 C ILE A 49 -0.681 1.110 2.110 1.00 0.00 C ATOM 778 O ILE A 49 -0.503 1.272 0.906 1.00 0.00 O ATOM 779 CB ILE A 49 1.142 2.303 3.332 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.384 2.141 4.241 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.110 3.225 3.993 1.00 0.00 C ATOM 782 CD1 ILE A 49 1.986 2.069 5.726 1.00 0.00 C ATOM 0 H ILE A 49 1.880 0.385 1.560 1.00 0.00 H new ATOM 0 HA ILE A 49 0.164 0.494 3.989 1.00 0.00 H new ATOM 0 HB ILE A 49 1.461 2.749 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.925 1.236 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.063 2.979 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.563 4.197 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.744 3.351 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.223 2.784 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.881 1.955 6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.468 2.985 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.327 1.215 5.885 1.00 0.00 H new ATOM 794 N CYS A 50 -1.895 1.069 2.665 1.00 0.00 N ATOM 795 CA CYS A 50 -3.115 1.217 1.860 1.00 0.00 C ATOM 796 C CYS A 50 -3.681 2.630 1.979 1.00 0.00 C ATOM 797 O CYS A 50 -3.389 3.346 2.937 1.00 0.00 O ATOM 798 CB CYS A 50 -4.169 0.213 2.332 1.00 0.00 C ATOM 799 SG CYS A 50 -3.493 -1.465 2.229 1.00 0.00 S ATOM 0 H CYS A 50 -2.061 0.935 3.662 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.859 1.029 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.465 0.435 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.065 0.294 1.717 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.387 -2.318 2.632 1.00 0.00 H new ATOM 804 N ALA A 51 -4.497 3.023 1.000 1.00 0.00 N ATOM 805 CA ALA A 51 -5.102 4.354 1.010 1.00 0.00 C ATOM 806 C ALA A 51 -6.147 4.485 -0.103 1.00 0.00 C ATOM 807 O ALA A 51 -5.956 3.982 -1.209 1.00 0.00 O ATOM 808 CB ALA A 51 -4.011 5.423 0.846 1.00 0.00 C ATOM 0 H ALA A 51 -4.752 2.445 0.199 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.605 4.501 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.467 6.413 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.299 5.345 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.492 5.271 -0.100 1.00 0.00 H new ATOM 814 N ASP A 52 -7.254 5.161 0.206 1.00 0.00 N ATOM 815 CA ASP A 52 -8.339 5.353 -0.761 1.00 0.00 C ATOM 816 C ASP A 52 -8.157 6.669 -1.541 1.00 0.00 C ATOM 817 O ASP A 52 -7.756 7.677 -0.958 1.00 0.00 O ATOM 818 CB ASP A 52 -9.672 5.388 -0.003 1.00 0.00 C ATOM 819 CG ASP A 52 -10.815 5.760 -0.941 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.771 6.844 -1.494 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.717 4.953 -1.091 1.00 0.00 O ATOM 0 H ASP A 52 -7.424 5.585 1.118 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.327 4.530 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.866 4.414 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.614 6.110 0.812 1.00 0.00 H new ATOM 826 N PRO A 53 -8.445 6.697 -2.834 1.00 0.00 N ATOM 827 CA PRO A 53 -8.303 7.942 -3.657 1.00 0.00 C ATOM 828 C PRO A 53 -9.311 9.020 -3.260 1.00 0.00 C ATOM 829 O PRO A 53 -10.207 9.366 -4.029 1.00 0.00 O ATOM 830 CB PRO A 53 -8.528 7.454 -5.099 1.00 0.00 C ATOM 831 CG PRO A 53 -9.371 6.231 -4.958 1.00 0.00 C ATOM 832 CD PRO A 53 -8.926 5.567 -3.656 1.00 0.00 C ATOM 0 HA PRO A 53 -7.333 8.419 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.029 8.213 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.583 7.229 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.430 6.488 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.232 5.561 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.750 5.042 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.138 4.834 -3.829 1.00 0.00 H new ATOM 840 N LYS A 54 -9.145 9.554 -2.052 1.00 0.00 N ATOM 841 CA LYS A 54 -10.028 10.605 -1.545 1.00 0.00 C ATOM 842 C LYS A 54 -9.227 11.592 -0.704 1.00 0.00 C ATOM 843 O LYS A 54 -9.388 12.805 -0.833 1.00 0.00 O ATOM 844 CB LYS A 54 -11.151 9.987 -0.700 1.00 0.00 C ATOM 845 CG LYS A 54 -12.224 9.393 -1.620 1.00 0.00 C ATOM 846 CD LYS A 54 -13.194 8.531 -0.805 1.00 0.00 C ATOM 847 CE LYS A 54 -14.048 7.691 -1.756 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.909 6.767 -0.966 1.00 0.00 N ATOM 0 H LYS A 54 -8.407 9.277 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.472 11.133 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.745 9.211 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.592 10.746 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.769 10.193 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.755 8.791 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.640 7.882 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.832 9.165 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.666 8.340 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.408 7.122 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.490 6.196 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.310 6.139 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.529 7.320 -0.341 1.00 0.00 H new ATOM 862 N LYS A 55 -8.355 11.064 0.149 1.00 0.00 N ATOM 863 CA LYS A 55 -7.526 11.917 0.994 1.00 0.00 C ATOM 864 C LYS A 55 -6.503 12.646 0.116 1.00 0.00 C ATOM 865 O LYS A 55 -6.046 12.112 -0.891 1.00 0.00 O ATOM 866 CB LYS A 55 -6.831 11.081 2.104 1.00 0.00 C ATOM 867 CG LYS A 55 -7.370 9.639 2.090 1.00 0.00 C ATOM 868 CD LYS A 55 -6.826 8.849 3.293 1.00 0.00 C ATOM 869 CE LYS A 55 -7.696 9.090 4.534 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.114 8.745 4.230 1.00 0.00 N ATOM 0 H LYS A 55 -8.205 10.063 0.273 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.151 12.657 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.752 11.077 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.009 11.535 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.460 9.651 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.081 9.145 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.806 7.785 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.799 9.150 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.335 8.485 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.624 10.133 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.580 8.400 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.610 9.590 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.142 8.003 3.501 1.00 0.00 H new ATOM 884 N LYS A 56 -6.184 13.878 0.485 1.00 0.00 N ATOM 885 CA LYS A 56 -5.256 14.695 -0.296 1.00 0.00 C ATOM 886 C LYS A 56 -3.927 13.992 -0.588 1.00 0.00 C ATOM 887 O LYS A 56 -3.529 13.880 -1.748 1.00 0.00 O ATOM 888 CB LYS A 56 -4.980 16.007 0.443 1.00 0.00 C ATOM 889 CG LYS A 56 -4.347 17.017 -0.519 1.00 0.00 C ATOM 890 CD LYS A 56 -3.734 18.171 0.278 1.00 0.00 C ATOM 891 CE LYS A 56 -3.429 19.337 -0.663 1.00 0.00 C ATOM 892 NZ LYS A 56 -2.499 18.881 -1.735 1.00 0.00 N ATOM 0 H LYS A 56 -6.552 14.337 1.319 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.737 14.882 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.908 16.409 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.314 15.827 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.580 16.530 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.100 17.398 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.422 18.492 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.820 17.840 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.352 19.714 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.983 20.161 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.119 19.707 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.716 18.344 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.012 18.273 -2.404 1.00 0.00 H new ATOM 906 N TRP A 57 -3.219 13.559 0.452 1.00 0.00 N ATOM 907 CA TRP A 57 -1.917 12.924 0.250 1.00 0.00 C ATOM 908 C TRP A 57 -2.004 11.723 -0.689 1.00 0.00 C ATOM 909 O TRP A 57 -1.009 11.352 -1.313 1.00 0.00 O ATOM 910 CB TRP A 57 -1.299 12.505 1.588 1.00 0.00 C ATOM 911 CG TRP A 57 -1.957 11.270 2.120 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.081 11.255 2.870 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.542 9.879 1.973 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.382 9.945 3.196 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.465 9.060 2.664 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.466 9.251 1.313 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.328 7.673 2.704 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.325 7.855 1.350 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.254 7.068 2.046 1.00 0.00 C ATOM 0 H TRP A 57 -3.516 13.633 1.425 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.272 13.666 -0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.232 12.326 1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.401 13.315 2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.651 12.123 3.166 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.184 9.666 3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.255 9.849 0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.047 7.071 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.503 7.385 0.840 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.139 5.994 2.073 1.00 0.00 H new ATOM 930 N VAL A 58 -3.179 11.117 -0.801 1.00 0.00 N ATOM 931 CA VAL A 58 -3.328 9.968 -1.686 1.00 0.00 C ATOM 932 C VAL A 58 -3.305 10.417 -3.140 1.00 0.00 C ATOM 933 O VAL A 58 -2.514 9.917 -3.934 1.00 0.00 O ATOM 934 CB VAL A 58 -4.640 9.230 -1.396 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.843 8.103 -2.416 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.586 8.632 0.011 1.00 0.00 C ATOM 0 H VAL A 58 -4.025 11.393 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.495 9.289 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.469 9.934 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.777 7.584 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.883 8.524 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.013 7.399 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.518 8.107 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.753 7.932 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.449 9.430 0.741 1.00 0.00 H new ATOM 946 N GLN A 59 -4.178 11.358 -3.482 1.00 0.00 N ATOM 947 CA GLN A 59 -4.248 11.857 -4.851 1.00 0.00 C ATOM 948 C GLN A 59 -2.977 12.624 -5.214 1.00 0.00 C ATOM 949 O GLN A 59 -2.539 12.614 -6.365 1.00 0.00 O ATOM 950 CB GLN A 59 -5.485 12.765 -5.023 1.00 0.00 C ATOM 951 CG GLN A 59 -6.602 12.325 -4.060 1.00 0.00 C ATOM 952 CD GLN A 59 -7.967 12.753 -4.598 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.263 13.946 -4.659 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.817 11.846 -4.991 1.00 0.00 N ATOM 0 H GLN A 59 -4.841 11.788 -2.837 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.338 11.004 -5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.214 13.803 -4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.841 12.716 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.577 11.243 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.437 12.765 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.569 10.858 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.730 12.124 -5.350 1.00 0.00 H new ATOM 963 N ASP A 60 -2.400 13.300 -4.227 1.00 0.00 N ATOM 964 CA ASP A 60 -1.192 14.088 -4.448 1.00 0.00 C ATOM 965 C ASP A 60 0.039 13.198 -4.619 1.00 0.00 C ATOM 966 O ASP A 60 0.942 13.519 -5.391 1.00 0.00 O ATOM 967 CB ASP A 60 -0.968 15.026 -3.260 1.00 0.00 C ATOM 968 CG ASP A 60 0.029 16.118 -3.634 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.304 16.932 -4.481 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.109 16.126 -3.068 1.00 0.00 O ATOM 0 H ASP A 60 -2.748 13.319 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.331 14.660 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.914 15.475 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.596 14.461 -2.406 1.00 0.00 H new ATOM 975 N SER A 61 0.082 12.096 -3.879 1.00 0.00 N ATOM 976 CA SER A 61 1.227 11.192 -3.944 1.00 0.00 C ATOM 977 C SER A 61 1.391 10.578 -5.335 1.00 0.00 C ATOM 978 O SER A 61 2.480 10.626 -5.908 1.00 0.00 O ATOM 979 CB SER A 61 1.072 10.083 -2.906 1.00 0.00 C ATOM 980 OG SER A 61 1.225 10.635 -1.605 1.00 0.00 O ATOM 0 H SER A 61 -0.653 11.808 -3.233 1.00 0.00 H new ATOM 0 HA SER A 61 2.122 11.777 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.093 9.613 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.817 9.305 -3.074 1.00 0.00 H new ATOM 0 HG SER A 61 0.357 10.956 -1.282 1.00 0.00 H new ATOM 986 N MET A 62 0.323 9.998 -5.879 1.00 0.00 N ATOM 987 CA MET A 62 0.411 9.385 -7.202 1.00 0.00 C ATOM 988 C MET A 62 0.601 10.454 -8.275 1.00 0.00 C ATOM 989 O MET A 62 1.266 10.220 -9.284 1.00 0.00 O ATOM 990 CB MET A 62 -0.843 8.557 -7.511 1.00 0.00 C ATOM 991 CG MET A 62 -2.102 9.371 -7.207 1.00 0.00 C ATOM 992 SD MET A 62 -3.503 8.673 -8.118 1.00 0.00 S ATOM 993 CE MET A 62 -4.144 7.616 -6.794 1.00 0.00 C ATOM 0 H MET A 62 -0.594 9.940 -5.436 1.00 0.00 H new ATOM 0 HA MET A 62 1.274 8.720 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.840 8.256 -8.559 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.840 7.643 -6.917 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.307 9.358 -6.137 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.952 10.413 -7.490 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.094 7.180 -7.104 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.429 6.820 -6.586 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.295 8.212 -5.894 1.00 0.00 H new ATOM 1003 N LYS A 63 0.021 11.628 -8.047 1.00 0.00 N ATOM 1004 CA LYS A 63 0.147 12.723 -9.000 1.00 0.00 C ATOM 1005 C LYS A 63 1.605 13.158 -9.083 1.00 0.00 C ATOM 1006 O LYS A 63 2.118 13.465 -10.160 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.733 13.901 -8.562 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.493 15.122 -9.464 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.679 14.737 -10.939 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.940 15.993 -11.773 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.168 16.675 -11.276 1.00 0.00 N ATOM 0 H LYS A 63 -0.535 11.844 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.183 12.388 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.783 13.612 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.514 14.159 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.186 15.921 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.514 15.508 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.210 14.224 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.512 14.042 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.086 16.668 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.059 15.727 -12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.754 16.968 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.709 16.021 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.899 17.513 -10.722 1.00 0.00 H new ATOM 1025 N TYR A 64 2.268 13.170 -7.932 1.00 0.00 N ATOM 1026 CA TYR A 64 3.670 13.552 -7.867 1.00 0.00 C ATOM 1027 C TYR A 64 4.516 12.503 -8.597 1.00 0.00 C ATOM 1028 O TYR A 64 5.543 12.824 -9.195 1.00 0.00 O ATOM 1029 CB TYR A 64 4.080 13.710 -6.376 1.00 0.00 C ATOM 1030 CG TYR A 64 5.401 13.025 -6.069 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.560 13.400 -6.758 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.462 12.020 -5.092 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.779 12.773 -6.472 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.680 11.394 -4.807 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.839 11.771 -5.496 1.00 0.00 C ATOM 1036 OH TYR A 64 9.041 11.153 -5.214 1.00 0.00 O ATOM 0 H TYR A 64 1.856 12.920 -7.033 1.00 0.00 H new ATOM 0 HA TYR A 64 3.838 14.508 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.157 14.770 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.300 13.292 -5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.514 14.173 -7.511 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.568 11.730 -4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.673 13.062 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.726 10.620 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 64 8.907 10.483 -4.512 1.00 0.00 H new ATOM 1046 N LEU A 65 4.066 11.253 -8.547 1.00 0.00 N ATOM 1047 CA LEU A 65 4.774 10.166 -9.213 1.00 0.00 C ATOM 1048 C LEU A 65 4.557 10.244 -10.721 1.00 0.00 C ATOM 1049 O LEU A 65 5.319 9.674 -11.500 1.00 0.00 O ATOM 1050 CB LEU A 65 4.278 8.810 -8.676 1.00 0.00 C ATOM 1051 CG LEU A 65 4.981 8.478 -7.336 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.080 7.575 -6.473 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.316 7.763 -7.617 1.00 0.00 C ATOM 0 H LEU A 65 3.219 10.969 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 65 5.840 10.260 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.198 8.841 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.480 8.026 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 65 5.172 9.405 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.585 7.348 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.141 8.089 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.875 6.648 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.810 7.530 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.126 6.840 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.958 8.412 -8.212 1.00 0.00 H new ATOM 1065 N ASP A 66 3.510 10.953 -11.120 1.00 0.00 N ATOM 1066 CA ASP A 66 3.192 11.100 -12.534 1.00 0.00 C ATOM 1067 C ASP A 66 4.202 12.015 -13.222 1.00 0.00 C ATOM 1068 O ASP A 66 4.525 11.826 -14.395 1.00 0.00 O ATOM 1069 CB ASP A 66 1.782 11.678 -12.681 1.00 0.00 C ATOM 1070 CG ASP A 66 1.238 11.400 -14.079 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.943 10.249 -14.361 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.124 12.341 -14.847 1.00 0.00 O ATOM 0 H ASP A 66 2.869 11.433 -10.488 1.00 0.00 H new ATOM 0 HA ASP A 66 3.238 10.120 -13.008 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.122 11.239 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.801 12.752 -12.498 1.00 0.00 H new ATOM 1077 N GLN A 67 4.696 13.004 -12.486 1.00 0.00 N ATOM 1078 CA GLN A 67 5.668 13.941 -13.037 1.00 0.00 C ATOM 1079 C GLN A 67 6.947 13.215 -13.439 1.00 0.00 C ATOM 1080 O GLN A 67 7.406 13.328 -14.575 1.00 0.00 O ATOM 1081 CB GLN A 67 5.994 15.022 -12.005 1.00 0.00 C ATOM 1082 CG GLN A 67 4.701 15.700 -11.548 1.00 0.00 C ATOM 1083 CD GLN A 67 5.016 16.793 -10.532 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.088 17.970 -10.888 1.00 0.00 O ATOM 1085 NE2 GLN A 67 5.210 16.473 -9.283 1.00 0.00 N ATOM 0 H GLN A 67 4.442 13.177 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 67 5.235 14.404 -13.924 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.507 14.581 -11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.671 15.759 -12.437 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.182 16.128 -12.406 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.031 14.963 -11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.150 15.497 -8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.422 17.198 -8.598 1.00 0.00 H new ATOM 1094 N LYS A 68 7.520 12.470 -12.498 1.00 0.00 N ATOM 1095 CA LYS A 68 8.748 11.730 -12.765 1.00 0.00 C ATOM 1096 C LYS A 68 8.451 10.458 -13.555 1.00 0.00 C ATOM 1097 O LYS A 68 9.235 10.053 -14.413 1.00 0.00 O ATOM 1098 CB LYS A 68 9.443 11.372 -11.449 1.00 0.00 C ATOM 1099 CG LYS A 68 8.497 10.545 -10.574 1.00 0.00 C ATOM 1100 CD LYS A 68 9.008 10.527 -9.128 1.00 0.00 C ATOM 1101 CE LYS A 68 10.342 9.775 -9.054 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.440 10.664 -9.529 1.00 0.00 N ATOM 0 H LYS A 68 7.157 12.363 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 68 9.407 12.363 -13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.354 10.809 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.739 12.280 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.493 10.967 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.429 9.527 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.135 11.547 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.274 10.048 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.535 9.456 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.298 8.874 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.724 10.382 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.108 11.649 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.255 10.582 -8.888 1.00 0.00 H new ATOM 1116 N SER A 69 7.315 9.831 -13.262 1.00 0.00 N ATOM 1117 CA SER A 69 6.929 8.607 -13.959 1.00 0.00 C ATOM 1118 C SER A 69 7.992 7.523 -13.769 1.00 0.00 C ATOM 1119 O SER A 69 8.880 7.368 -14.607 1.00 0.00 O ATOM 1120 CB SER A 69 6.763 8.895 -15.450 1.00 0.00 C ATOM 1121 OG SER A 69 6.059 7.822 -16.060 1.00 0.00 O ATOM 0 H SER A 69 6.651 10.146 -12.554 1.00 0.00 H new ATOM 0 HA SER A 69 5.985 8.254 -13.543 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.220 9.829 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.739 9.018 -15.919 1.00 0.00 H new ATOM 0 HG SER A 69 5.949 8.004 -17.017 1.00 0.00 H new ATOM 1127 N PRO A 70 7.925 6.775 -12.694 1.00 0.00 N ATOM 1128 CA PRO A 70 8.913 5.690 -12.410 1.00 0.00 C ATOM 1129 C PRO A 70 9.117 4.770 -13.614 1.00 0.00 C ATOM 1130 O PRO A 70 8.154 4.323 -14.237 1.00 0.00 O ATOM 1131 CB PRO A 70 8.291 4.936 -11.225 1.00 0.00 C ATOM 1132 CG PRO A 70 7.438 5.950 -10.533 1.00 0.00 C ATOM 1133 CD PRO A 70 6.908 6.874 -11.630 1.00 0.00 C ATOM 0 HA PRO A 70 9.907 6.081 -12.190 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.699 4.086 -11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.059 4.544 -10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.619 5.470 -9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.016 6.509 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.927 6.555 -11.983 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.801 7.898 -11.273 1.00 0.00 H new ATOM 1368 N ASP B 218 6.587 10.433 12.104 1.00 0.00 N ATOM 1369 CA ASP B 218 7.121 11.262 13.179 1.00 0.00 C ATOM 1370 C ASP B 218 8.599 10.956 13.388 1.00 0.00 C ATOM 1371 O ASP B 218 9.464 11.564 12.757 1.00 0.00 O ATOM 1372 CB ASP B 218 6.352 10.999 14.475 1.00 0.00 C ATOM 1373 CG ASP B 218 4.940 11.567 14.368 1.00 0.00 C ATOM 1374 OD1 ASP B 218 4.816 12.739 14.056 1.00 0.00 O ATOM 1375 OD2 ASP B 218 4.004 10.818 14.599 1.00 0.00 O ATOM 0 HA ASP B 218 7.008 12.311 12.903 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.308 9.928 14.670 1.00 0.00 H new ATOM 0 HB3 ASP B 218 6.874 11.455 15.316 1.00 0.00 H new ATOM 1380 N ASP B 219 8.881 10.001 14.268 1.00 0.00 N ATOM 1381 CA ASP B 219 10.258 9.612 14.542 1.00 0.00 C ATOM 1382 C ASP B 219 10.760 8.674 13.449 1.00 0.00 C ATOM 1383 O ASP B 219 10.366 7.510 13.388 1.00 0.00 O ATOM 1384 CB ASP B 219 10.346 8.911 15.899 1.00 0.00 C ATOM 1385 CG ASP B 219 9.450 9.619 16.911 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.764 10.742 17.266 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.462 9.026 17.312 1.00 0.00 O ATOM 0 H ASP B 219 8.179 9.486 14.800 1.00 0.00 H new ATOM 0 HA ASP B 219 10.879 10.508 14.562 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.043 7.869 15.799 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.377 8.911 16.251 1.00 0.00 H new ATOM 1392 N VAL B 220 11.623 9.188 12.583 1.00 0.00 N ATOM 1393 CA VAL B 220 12.160 8.384 11.494 1.00 0.00 C ATOM 1394 C VAL B 220 12.774 7.095 12.030 1.00 0.00 C ATOM 1395 O VAL B 220 13.114 6.193 11.265 1.00 0.00 O ATOM 1396 CB VAL B 220 13.215 9.185 10.728 1.00 0.00 C ATOM 1397 CG1 VAL B 220 13.461 8.543 9.360 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.716 10.620 10.534 1.00 0.00 C ATOM 0 H VAL B 220 11.964 10.149 12.612 1.00 0.00 H new ATOM 0 HA VAL B 220 11.344 8.124 10.819 1.00 0.00 H new ATOM 0 HB VAL B 220 14.146 9.191 11.294 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.213 9.117 8.819 1.00 0.00 H new ATOM 0 HG12 VAL B 220 13.814 7.521 9.496 1.00 0.00 H new ATOM 0 HG13 VAL B 220 12.532 8.534 8.790 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.464 11.195 9.989 1.00 0.00 H new ATOM 0 HG22 VAL B 220 11.784 10.608 9.968 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.543 11.080 11.507 1.00 0.00 H new ATOM 1408 N GLY B 221 12.908 7.011 13.350 1.00 0.00 N ATOM 1409 CA GLY B 221 13.476 5.823 13.975 1.00 0.00 C ATOM 1410 C GLY B 221 12.465 4.682 13.978 1.00 0.00 C ATOM 1411 O GLY B 221 12.819 3.523 14.196 1.00 0.00 O ATOM 0 H GLY B 221 12.633 7.745 14.002 1.00 0.00 H new ATOM 0 HA2 GLY B 221 14.375 5.518 13.439 1.00 0.00 H new ATOM 0 HA3 GLY B 221 13.777 6.052 14.997 1.00 0.00 H new ATOM 1415 N LEU B 222 11.202 5.022 13.732 1.00 0.00 N ATOM 1416 CA LEU B 222 10.137 4.025 13.705 1.00 0.00 C ATOM 1417 C LEU B 222 10.104 3.321 12.351 1.00 0.00 C ATOM 1418 O LEU B 222 9.546 3.839 11.385 1.00 0.00 O ATOM 1419 CB LEU B 222 8.788 4.709 13.976 1.00 0.00 C ATOM 1420 CG LEU B 222 7.625 3.740 13.715 1.00 0.00 C ATOM 1421 CD1 LEU B 222 7.873 2.415 14.443 1.00 0.00 C ATOM 1422 CD2 LEU B 222 6.326 4.368 14.226 1.00 0.00 C ATOM 0 H LEU B 222 10.893 5.977 13.549 1.00 0.00 H new ATOM 0 HA LEU B 222 10.326 3.280 14.478 1.00 0.00 H new ATOM 0 HB2 LEU B 222 8.752 5.058 15.008 1.00 0.00 H new ATOM 0 HB3 LEU B 222 8.686 5.588 13.339 1.00 0.00 H new ATOM 0 HG LEU B 222 7.548 3.547 12.645 1.00 0.00 H new ATOM 0 HD11 LEU B 222 7.043 1.734 14.252 1.00 0.00 H new ATOM 0 HD12 LEU B 222 8.799 1.969 14.081 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.953 2.598 15.515 1.00 0.00 H new ATOM 0 HD21 LEU B 222 5.496 3.686 14.044 1.00 0.00 H new ATOM 0 HD22 LEU B 222 6.411 4.559 15.296 1.00 0.00 H new ATOM 0 HD23 LEU B 222 6.145 5.307 13.703 1.00 0.00 H new ATOM 1434 N LEU B 223 10.708 2.138 12.289 1.00 0.00 N ATOM 1435 CA LEU B 223 10.741 1.374 11.048 1.00 0.00 C ATOM 1436 C LEU B 223 11.029 -0.098 11.334 1.00 0.00 C ATOM 1437 O LEU B 223 10.741 -0.915 10.475 1.00 0.00 O ATOM 1438 CB LEU B 223 11.810 1.957 10.109 1.00 0.00 C ATOM 1439 CG LEU B 223 13.238 1.558 10.580 1.00 0.00 C ATOM 1440 CD1 LEU B 223 13.749 0.351 9.773 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.205 2.736 10.380 1.00 0.00 C ATOM 1442 OXT LEU B 223 11.534 -0.384 12.407 1.00 0.00 O ATOM 0 H LEU B 223 11.177 1.691 13.077 1.00 0.00 H new ATOM 0 HA LEU B 223 9.767 1.443 10.564 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.644 1.597 9.094 1.00 0.00 H new ATOM 0 HB3 LEU B 223 11.722 3.043 10.081 1.00 0.00 H new ATOM 0 HG LEU B 223 13.190 1.295 11.637 1.00 0.00 H new ATOM 0 HD11 LEU B 223 14.749 0.083 10.113 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.077 -0.495 9.919 1.00 0.00 H new ATOM 0 HD13 LEU B 223 13.783 0.609 8.715 1.00 0.00 H new ATOM 0 HD21 LEU B 223 15.202 2.448 10.712 1.00 0.00 H new ATOM 0 HD22 LEU B 223 14.238 3.005 9.324 1.00 0.00 H new ATOM 0 HD23 LEU B 223 13.862 3.591 10.962 1.00 0.00 H new