USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 21 LYS NZ :NH3+ -108:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.839 K(o=2.1,f=-8.5!) USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= -0.138 (180deg=-0.75) USER MOD Single : A 16 THR OG1 : rot 1:sc= 1.82 USER MOD Single : A 26 GLN :FLIP amide:sc= -1.1 F(o=-2.1!,f=-1.1) USER MOD Single : A 28 TYR OH : rot 150:sc= 0 USER MOD Single : A 31 THR OG1 : rot 74:sc= 0.196 USER MOD Single : A 33 GLN : amide:sc= -0.723 K(o=-0.72,f=-9.2!) USER MOD Single : A 34 SER OG : rot 35:sc= 0.498 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0211 F(o=-1.2!,f=-0.021) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.24 K(o=1.2,f=-5.9!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 1.1 (180deg=0.996) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 58 TYR OH : rot 110:sc= -1.2 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 76:sc= 0.321 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.026 -10.145 -0.208 1.00 0.00 N ATOM 78 CA LYS A 6 -5.611 -9.961 -0.371 1.00 0.00 C ATOM 79 C LYS A 6 -5.377 -8.623 -1.022 1.00 0.00 C ATOM 80 O LYS A 6 -5.798 -8.400 -2.164 1.00 0.00 O ATOM 81 CB LYS A 6 -5.019 -11.037 -1.283 1.00 0.00 C ATOM 82 CG LYS A 6 -5.225 -12.472 -0.843 1.00 0.00 C ATOM 83 CD LYS A 6 -4.569 -12.782 0.491 1.00 0.00 C ATOM 84 CE LYS A 6 -4.595 -14.280 0.750 1.00 0.00 C ATOM 85 NZ LYS A 6 -3.799 -15.008 -0.267 1.00 0.00 N ATOM 0 HA LYS A 6 -5.137 -10.022 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.449 -10.918 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.948 -10.857 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.294 -12.675 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.823 -13.141 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.540 -12.423 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.090 -12.257 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.199 -14.488 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.625 -14.638 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.475 -15.913 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.388 -15.188 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.975 -14.434 -0.539 1.00 0.00 H new ATOM 99 N LEU A 7 -4.745 -7.739 -0.327 1.00 0.00 N ATOM 100 CA LEU A 7 -4.438 -6.457 -0.874 1.00 0.00 C ATOM 101 C LEU A 7 -3.032 -6.506 -1.408 1.00 0.00 C ATOM 102 O LEU A 7 -2.066 -6.576 -0.653 1.00 0.00 O ATOM 103 CB LEU A 7 -4.612 -5.375 0.180 1.00 0.00 C ATOM 104 CG LEU A 7 -6.020 -5.263 0.775 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.049 -4.218 1.852 1.00 0.00 C ATOM 106 CD2 LEU A 7 -7.050 -4.940 -0.304 1.00 0.00 C ATOM 0 H LEU A 7 -4.427 -7.881 0.632 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.120 -6.210 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.907 -5.562 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.344 -4.415 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.279 -6.228 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.055 -4.149 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.350 -4.491 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.763 -3.254 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.039 -4.867 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.796 -3.992 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.051 -5.731 -1.054 1.00 0.00 H new ATOM 118 N VAL A 8 -2.917 -6.521 -2.696 1.00 0.00 N ATOM 119 CA VAL A 8 -1.640 -6.694 -3.322 1.00 0.00 C ATOM 120 C VAL A 8 -0.948 -5.360 -3.542 1.00 0.00 C ATOM 121 O VAL A 8 -1.419 -4.509 -4.293 1.00 0.00 O ATOM 122 CB VAL A 8 -1.768 -7.470 -4.656 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.407 -7.702 -5.280 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.477 -8.796 -4.432 1.00 0.00 C ATOM 0 H VAL A 8 -3.698 -6.415 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.024 -7.286 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.361 -6.866 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.524 -8.249 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.071 -6.743 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.213 -8.282 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.559 -9.329 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.907 -9.398 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.474 -8.612 -4.031 1.00 0.00 H new ATOM 134 N LEU A 9 0.134 -5.191 -2.843 1.00 0.00 N ATOM 135 CA LEU A 9 0.968 -4.036 -2.935 1.00 0.00 C ATOM 136 C LEU A 9 2.082 -4.361 -3.919 1.00 0.00 C ATOM 137 O LEU A 9 2.900 -5.255 -3.661 1.00 0.00 O ATOM 138 CB LEU A 9 1.571 -3.748 -1.545 1.00 0.00 C ATOM 139 CG LEU A 9 2.415 -2.479 -1.394 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.549 -1.238 -1.489 1.00 0.00 C ATOM 141 CD2 LEU A 9 3.182 -2.499 -0.083 1.00 0.00 C ATOM 0 H LEU A 9 0.470 -5.880 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 9 0.406 -3.164 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.753 -3.696 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.190 -4.600 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 9 3.135 -2.452 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.172 -0.350 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.052 -1.214 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.800 -1.256 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.775 -1.589 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.480 -2.556 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.842 -3.366 -0.061 1.00 0.00 H new ATOM 153 N ASP A 10 2.070 -3.721 -5.058 1.00 0.00 N ATOM 154 CA ASP A 10 3.119 -3.929 -6.045 1.00 0.00 C ATOM 155 C ASP A 10 4.350 -3.150 -5.616 1.00 0.00 C ATOM 156 O ASP A 10 4.333 -1.921 -5.586 1.00 0.00 O ATOM 157 CB ASP A 10 2.673 -3.464 -7.424 1.00 0.00 C ATOM 158 CG ASP A 10 3.607 -3.909 -8.534 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.795 -3.575 -8.519 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.140 -4.619 -9.449 1.00 0.00 O ATOM 0 H ASP A 10 1.352 -3.051 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 10 3.344 -4.994 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.672 -3.847 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.605 -2.376 -7.429 1.00 0.00 H new ATOM 165 N LEU A 11 5.400 -3.859 -5.304 1.00 0.00 N ATOM 166 CA LEU A 11 6.617 -3.283 -4.767 1.00 0.00 C ATOM 167 C LEU A 11 7.381 -2.515 -5.829 1.00 0.00 C ATOM 168 O LEU A 11 7.939 -1.441 -5.554 1.00 0.00 O ATOM 169 CB LEU A 11 7.505 -4.384 -4.188 1.00 0.00 C ATOM 170 CG LEU A 11 6.896 -5.227 -3.064 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.844 -6.343 -2.672 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.572 -4.359 -1.855 1.00 0.00 C ATOM 0 H LEU A 11 5.441 -4.872 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 11 6.337 -2.585 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.793 -5.053 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.420 -3.924 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 11 5.968 -5.667 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.399 -6.934 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.030 -6.982 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.786 -5.916 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.140 -4.978 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.485 -3.890 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.858 -3.587 -2.142 1.00 0.00 H new ATOM 184 N GLU A 12 7.380 -3.032 -7.038 1.00 0.00 N ATOM 185 CA GLU A 12 8.117 -2.418 -8.117 1.00 0.00 C ATOM 186 C GLU A 12 7.409 -1.181 -8.629 1.00 0.00 C ATOM 187 O GLU A 12 8.040 -0.141 -8.849 1.00 0.00 O ATOM 188 CB GLU A 12 8.436 -3.419 -9.230 1.00 0.00 C ATOM 189 CG GLU A 12 9.464 -4.462 -8.814 1.00 0.00 C ATOM 190 CD GLU A 12 9.830 -5.415 -9.923 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.453 -4.984 -10.916 1.00 0.00 O ATOM 192 OE2 GLU A 12 9.556 -6.622 -9.805 1.00 0.00 O ATOM 0 H GLU A 12 6.875 -3.879 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 12 9.078 -2.090 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.518 -3.922 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.806 -2.879 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.365 -3.956 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.073 -5.031 -7.970 1.00 0.00 H new ATOM 199 N ARG A 13 6.103 -1.261 -8.775 1.00 0.00 N ATOM 200 CA ARG A 13 5.332 -0.108 -9.179 1.00 0.00 C ATOM 201 C ARG A 13 5.413 0.963 -8.102 1.00 0.00 C ATOM 202 O ARG A 13 5.596 2.140 -8.408 1.00 0.00 O ATOM 203 CB ARG A 13 3.873 -0.469 -9.512 1.00 0.00 C ATOM 204 CG ARG A 13 2.980 0.726 -9.856 1.00 0.00 C ATOM 205 CD ARG A 13 3.535 1.551 -11.011 1.00 0.00 C ATOM 206 NE ARG A 13 2.689 2.712 -11.302 1.00 0.00 N ATOM 207 CZ ARG A 13 3.122 3.940 -11.644 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.426 4.241 -11.621 1.00 0.00 N ATOM 209 NH2 ARG A 13 2.243 4.873 -11.973 1.00 0.00 N ATOM 0 H ARG A 13 5.557 -2.109 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 13 5.763 0.284 -10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.868 -1.163 -10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.440 -0.995 -8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.983 0.369 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.873 1.362 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.543 1.887 -10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.614 0.926 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 13 1.680 2.577 -11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.107 3.535 -11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.738 5.176 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.246 4.659 -11.966 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.563 5.806 -12.233 1.00 0.00 H new ATOM 223 N LEU A 14 5.356 0.547 -6.849 1.00 0.00 N ATOM 224 CA LEU A 14 5.476 1.468 -5.728 1.00 0.00 C ATOM 225 C LEU A 14 6.862 2.133 -5.722 1.00 0.00 C ATOM 226 O LEU A 14 7.014 3.275 -5.303 1.00 0.00 O ATOM 227 CB LEU A 14 5.247 0.729 -4.410 1.00 0.00 C ATOM 228 CG LEU A 14 5.287 1.572 -3.143 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.139 2.567 -3.116 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.276 0.680 -1.916 1.00 0.00 C ATOM 0 H LEU A 14 5.227 -0.428 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 14 4.717 2.243 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.277 0.234 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.000 -0.054 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 14 6.215 2.144 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.190 3.157 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.211 3.229 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.191 2.030 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.305 1.297 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.368 0.077 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.147 0.025 -1.935 1.00 0.00 H new ATOM 242 N ALA A 15 7.861 1.412 -6.214 1.00 0.00 N ATOM 243 CA ALA A 15 9.229 1.919 -6.279 1.00 0.00 C ATOM 244 C ALA A 15 9.370 2.992 -7.353 1.00 0.00 C ATOM 245 O ALA A 15 10.319 3.776 -7.339 1.00 0.00 O ATOM 246 CB ALA A 15 10.215 0.783 -6.518 1.00 0.00 C ATOM 0 H ALA A 15 7.749 0.465 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 15 9.461 2.377 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.228 1.184 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.145 0.063 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.979 0.288 -7.460 1.00 0.00 H new ATOM 252 N THR A 16 8.432 3.024 -8.285 1.00 0.00 N ATOM 253 CA THR A 16 8.435 4.045 -9.312 1.00 0.00 C ATOM 254 C THR A 16 7.531 5.216 -8.918 1.00 0.00 C ATOM 255 O THR A 16 7.407 6.193 -9.645 1.00 0.00 O ATOM 256 CB THR A 16 8.040 3.492 -10.719 1.00 0.00 C ATOM 257 OG1 THR A 16 6.726 2.869 -10.698 1.00 0.00 O ATOM 258 CG2 THR A 16 9.069 2.483 -11.210 1.00 0.00 C ATOM 0 H THR A 16 7.663 2.357 -8.349 1.00 0.00 H new ATOM 0 HA THR A 16 9.462 4.402 -9.392 1.00 0.00 H new ATOM 0 HB THR A 16 8.011 4.341 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.343 2.944 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.774 2.111 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.044 2.964 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.126 1.651 -10.508 1.00 0.00 H new ATOM 266 N VAL A 17 6.902 5.105 -7.757 1.00 0.00 N ATOM 267 CA VAL A 17 6.051 6.156 -7.244 1.00 0.00 C ATOM 268 C VAL A 17 6.924 7.100 -6.421 1.00 0.00 C ATOM 269 O VAL A 17 7.792 6.625 -5.667 1.00 0.00 O ATOM 270 CB VAL A 17 4.881 5.579 -6.367 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.006 6.687 -5.783 1.00 0.00 C ATOM 272 CG2 VAL A 17 4.021 4.637 -7.191 1.00 0.00 C ATOM 0 H VAL A 17 6.970 4.287 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 17 5.586 6.688 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 17 5.336 5.035 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.210 6.244 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.614 7.338 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.569 7.270 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.215 4.245 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.598 5.177 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.632 3.812 -7.556 1.00 0.00 H new ATOM 282 N PRO A 18 6.780 8.433 -6.631 1.00 0.00 N ATOM 283 CA PRO A 18 7.542 9.469 -5.917 1.00 0.00 C ATOM 284 C PRO A 18 7.708 9.200 -4.415 1.00 0.00 C ATOM 285 O PRO A 18 6.718 8.968 -3.683 1.00 0.00 O ATOM 286 CB PRO A 18 6.693 10.717 -6.121 1.00 0.00 C ATOM 287 CG PRO A 18 6.073 10.530 -7.457 1.00 0.00 C ATOM 288 CD PRO A 18 5.873 9.044 -7.634 1.00 0.00 C ATOM 0 HA PRO A 18 8.562 9.532 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.936 10.814 -5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.301 11.621 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.122 11.059 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.714 10.931 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.836 8.758 -7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.125 8.726 -8.645 1.00 0.00 H new ATOM 296 N ALA A 19 8.950 9.307 -3.951 1.00 0.00 N ATOM 297 CA ALA A 19 9.328 9.068 -2.554 1.00 0.00 C ATOM 298 C ALA A 19 8.671 10.088 -1.636 1.00 0.00 C ATOM 299 O ALA A 19 8.562 9.883 -0.436 1.00 0.00 O ATOM 300 CB ALA A 19 10.841 9.114 -2.403 1.00 0.00 C ATOM 0 H ALA A 19 9.739 9.567 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 19 8.978 8.076 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.108 8.935 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.293 8.346 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.208 10.094 -2.708 1.00 0.00 H new ATOM 306 N GLU A 20 8.221 11.173 -2.238 1.00 0.00 N ATOM 307 CA GLU A 20 7.510 12.247 -1.569 1.00 0.00 C ATOM 308 C GLU A 20 6.280 11.706 -0.828 1.00 0.00 C ATOM 309 O GLU A 20 5.902 12.212 0.227 1.00 0.00 O ATOM 310 CB GLU A 20 7.052 13.252 -2.611 1.00 0.00 C ATOM 311 CG GLU A 20 8.164 13.767 -3.502 1.00 0.00 C ATOM 312 CD GLU A 20 7.651 14.711 -4.542 1.00 0.00 C ATOM 313 OE1 GLU A 20 7.252 14.255 -5.637 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.618 15.925 -4.279 1.00 0.00 O ATOM 0 H GLU A 20 8.344 11.336 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 20 8.178 12.716 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.286 12.790 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.585 14.097 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.914 14.271 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.660 12.926 -3.987 1.00 0.00 H new ATOM 321 N LYS A 21 5.652 10.685 -1.395 1.00 0.00 N ATOM 322 CA LYS A 21 4.479 10.100 -0.778 1.00 0.00 C ATOM 323 C LYS A 21 4.685 8.609 -0.515 1.00 0.00 C ATOM 324 O LYS A 21 4.214 8.081 0.486 1.00 0.00 O ATOM 325 CB LYS A 21 3.223 10.330 -1.638 1.00 0.00 C ATOM 326 CG LYS A 21 2.937 11.805 -1.937 1.00 0.00 C ATOM 327 CD LYS A 21 1.635 12.002 -2.707 1.00 0.00 C ATOM 328 CE LYS A 21 0.406 11.663 -1.868 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.852 11.893 -2.613 1.00 0.00 N ATOM 0 H LYS A 21 5.935 10.251 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 21 4.327 10.598 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.337 9.794 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.361 9.899 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.889 12.360 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.763 12.223 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.568 13.037 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.646 11.377 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.457 10.620 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.407 12.269 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.333 12.732 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.637 12.045 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.471 11.064 -2.513 1.00 0.00 H new ATOM 343 N ALA A 22 5.424 7.945 -1.394 1.00 0.00 N ATOM 344 CA ALA A 22 5.652 6.510 -1.270 1.00 0.00 C ATOM 345 C ALA A 22 6.838 6.193 -0.368 1.00 0.00 C ATOM 346 O ALA A 22 7.083 5.036 -0.065 1.00 0.00 O ATOM 347 CB ALA A 22 5.858 5.888 -2.637 1.00 0.00 C ATOM 0 H ALA A 22 5.876 8.376 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 22 4.763 6.081 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.027 4.817 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.972 6.055 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.723 6.344 -3.118 1.00 0.00 H new ATOM 353 N GLY A 23 7.545 7.223 0.064 1.00 0.00 N ATOM 354 CA GLY A 23 8.729 7.066 0.910 1.00 0.00 C ATOM 355 C GLY A 23 8.474 6.266 2.184 1.00 0.00 C ATOM 356 O GLY A 23 9.048 5.186 2.355 1.00 0.00 O ATOM 0 H GLY A 23 7.320 8.193 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.513 6.574 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.104 8.053 1.181 1.00 0.00 H new ATOM 360 N PRO A 24 7.597 6.746 3.095 1.00 0.00 N ATOM 361 CA PRO A 24 7.282 6.026 4.341 1.00 0.00 C ATOM 362 C PRO A 24 6.644 4.647 4.067 1.00 0.00 C ATOM 363 O PRO A 24 6.767 3.712 4.867 1.00 0.00 O ATOM 364 CB PRO A 24 6.292 6.960 5.059 1.00 0.00 C ATOM 365 CG PRO A 24 5.751 7.847 3.987 1.00 0.00 C ATOM 366 CD PRO A 24 6.871 8.033 3.014 1.00 0.00 C ATOM 0 HA PRO A 24 8.174 5.812 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.496 6.394 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.789 7.539 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.884 7.395 3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.425 8.803 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.503 8.226 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.508 8.874 3.287 1.00 0.00 H new ATOM 374 N LEU A 25 6.022 4.513 2.910 1.00 0.00 N ATOM 375 CA LEU A 25 5.385 3.273 2.529 1.00 0.00 C ATOM 376 C LEU A 25 6.424 2.255 2.049 1.00 0.00 C ATOM 377 O LEU A 25 6.303 1.059 2.325 1.00 0.00 O ATOM 378 CB LEU A 25 4.263 3.530 1.509 1.00 0.00 C ATOM 379 CG LEU A 25 3.524 2.303 0.948 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.003 1.408 2.061 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.372 2.750 0.071 1.00 0.00 C ATOM 0 H LEU A 25 5.946 5.256 2.215 1.00 0.00 H new ATOM 0 HA LEU A 25 4.907 2.831 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.526 4.183 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.690 4.080 0.670 1.00 0.00 H new ATOM 0 HG LEU A 25 4.235 1.727 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.487 0.552 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.838 1.059 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.310 1.971 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.854 1.876 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.677 3.349 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.755 3.347 -0.756 1.00 0.00 H new ATOM 393 N GLN A 26 7.463 2.733 1.374 1.00 0.00 N ATOM 394 CA GLN A 26 8.588 1.886 0.986 1.00 0.00 C ATOM 395 C GLN A 26 9.278 1.339 2.219 1.00 0.00 C ATOM 396 O GLN A 26 9.752 0.202 2.227 1.00 0.00 O ATOM 397 CB GLN A 26 9.600 2.650 0.128 1.00 0.00 C ATOM 398 CG GLN A 26 9.246 2.763 -1.344 1.00 0.00 C ATOM 399 CD GLN A 26 9.241 1.412 -2.040 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.508 1.305 -3.097 1.00 0.00 O flip ATOM 401 NE2 GLN A 26 9.943 0.487 -1.647 1.00 0.00 N flip ATOM 0 H GLN A 26 7.551 3.706 1.082 1.00 0.00 H new ATOM 0 HA GLN A 26 8.191 1.063 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.713 3.654 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.570 2.160 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.264 3.225 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.961 3.421 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.512 0.600 -0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.958 -0.395 -2.159 1.00 0.00 H new ATOM 410 N ARG A 27 9.297 2.149 3.268 1.00 0.00 N ATOM 411 CA ARG A 27 9.892 1.758 4.535 1.00 0.00 C ATOM 412 C ARG A 27 9.081 0.647 5.159 1.00 0.00 C ATOM 413 O ARG A 27 9.623 -0.377 5.587 1.00 0.00 O ATOM 414 CB ARG A 27 9.934 2.930 5.509 1.00 0.00 C ATOM 415 CG ARG A 27 10.645 4.173 5.004 1.00 0.00 C ATOM 416 CD ARG A 27 12.031 3.868 4.467 1.00 0.00 C ATOM 417 NE ARG A 27 12.912 3.238 5.453 1.00 0.00 N ATOM 418 CZ ARG A 27 14.219 3.045 5.270 1.00 0.00 C ATOM 419 NH1 ARG A 27 14.801 3.429 4.140 1.00 0.00 N ATOM 420 NH2 ARG A 27 14.934 2.456 6.204 1.00 0.00 N ATOM 0 H ARG A 27 8.903 3.090 3.264 1.00 0.00 H new ATOM 0 HA ARG A 27 10.910 1.423 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.911 3.199 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.422 2.601 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.048 4.636 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.724 4.898 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.941 3.213 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.490 4.794 4.120 1.00 0.00 H new ATOM 0 HE ARG A 27 12.501 2.928 6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.248 3.874 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.801 3.279 4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.489 2.147 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.934 2.308 6.064 1.00 0.00 H new ATOM 434 N TYR A 28 7.779 0.866 5.202 1.00 0.00 N ATOM 435 CA TYR A 28 6.829 -0.089 5.748 1.00 0.00 C ATOM 436 C TYR A 28 6.949 -1.421 4.992 1.00 0.00 C ATOM 437 O TYR A 28 7.102 -2.484 5.602 1.00 0.00 O ATOM 438 CB TYR A 28 5.398 0.479 5.626 1.00 0.00 C ATOM 439 CG TYR A 28 4.331 -0.297 6.382 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.630 -1.338 5.791 1.00 0.00 C ATOM 441 CD2 TYR A 28 4.024 0.030 7.690 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.659 -2.033 6.494 1.00 0.00 C ATOM 443 CE2 TYR A 28 3.057 -0.657 8.396 1.00 0.00 C ATOM 444 CZ TYR A 28 2.378 -1.688 7.794 1.00 0.00 C ATOM 445 OH TYR A 28 1.410 -2.379 8.496 1.00 0.00 O ATOM 0 H TYR A 28 7.346 1.722 4.855 1.00 0.00 H new ATOM 0 HA TYR A 28 7.046 -0.265 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.400 1.508 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.124 0.510 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.844 -1.611 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.552 0.841 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.124 -2.844 6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.835 -0.385 9.417 1.00 0.00 H new ATOM 0 HH TYR A 28 1.635 -2.379 9.450 1.00 0.00 H new ATOM 455 N ALA A 29 6.936 -1.336 3.668 1.00 0.00 N ATOM 456 CA ALA A 29 7.043 -2.504 2.803 1.00 0.00 C ATOM 457 C ALA A 29 8.375 -3.224 3.003 1.00 0.00 C ATOM 458 O ALA A 29 8.419 -4.455 3.020 1.00 0.00 O ATOM 459 CB ALA A 29 6.865 -2.109 1.346 1.00 0.00 C ATOM 0 H ALA A 29 6.851 -0.454 3.163 1.00 0.00 H new ATOM 0 HA ALA A 29 6.245 -3.194 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.948 -2.995 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.883 -1.657 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.636 -1.391 1.067 1.00 0.00 H new ATOM 465 N ALA A 30 9.447 -2.454 3.184 1.00 0.00 N ATOM 466 CA ALA A 30 10.774 -3.013 3.410 1.00 0.00 C ATOM 467 C ALA A 30 10.795 -3.830 4.687 1.00 0.00 C ATOM 468 O ALA A 30 11.326 -4.941 4.703 1.00 0.00 O ATOM 469 CB ALA A 30 11.829 -1.918 3.470 1.00 0.00 C ATOM 0 H ALA A 30 9.419 -1.434 3.178 1.00 0.00 H new ATOM 0 HA ALA A 30 11.009 -3.666 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.808 -2.365 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.839 -1.370 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.597 -1.233 4.286 1.00 0.00 H new ATOM 475 N THR A 31 10.197 -3.285 5.743 1.00 0.00 N ATOM 476 CA THR A 31 10.107 -3.965 7.018 1.00 0.00 C ATOM 477 C THR A 31 9.319 -5.276 6.882 1.00 0.00 C ATOM 478 O THR A 31 9.706 -6.301 7.452 1.00 0.00 O ATOM 479 CB THR A 31 9.496 -3.034 8.101 1.00 0.00 C ATOM 480 OG1 THR A 31 10.339 -1.862 8.233 1.00 0.00 O ATOM 481 CG2 THR A 31 9.403 -3.735 9.456 1.00 0.00 C ATOM 0 H THR A 31 9.764 -2.361 5.732 1.00 0.00 H new ATOM 0 HA THR A 31 11.115 -4.222 7.343 1.00 0.00 H new ATOM 0 HB THR A 31 8.488 -2.759 7.792 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.208 -1.276 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.971 -3.054 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.772 -4.619 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.400 -4.033 9.781 1.00 0.00 H new ATOM 489 N ILE A 32 8.254 -5.255 6.082 1.00 0.00 N ATOM 490 CA ILE A 32 7.487 -6.461 5.844 1.00 0.00 C ATOM 491 C ILE A 32 8.337 -7.460 5.075 1.00 0.00 C ATOM 492 O ILE A 32 8.461 -8.592 5.473 1.00 0.00 O ATOM 493 CB ILE A 32 6.181 -6.210 5.049 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.308 -5.177 5.754 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.406 -7.526 4.882 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.033 -4.858 5.009 1.00 0.00 C ATOM 0 H ILE A 32 7.912 -4.425 5.597 1.00 0.00 H new ATOM 0 HA ILE A 32 7.206 -6.848 6.824 1.00 0.00 H new ATOM 0 HB ILE A 32 6.447 -5.823 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.056 -5.544 6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.881 -4.259 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.489 -7.340 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.022 -8.245 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.156 -7.928 5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.461 -4.117 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.277 -4.461 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.440 -5.766 4.898 1.00 0.00 H new ATOM 508 N GLN A 33 8.957 -7.005 4.004 1.00 0.00 N ATOM 509 CA GLN A 33 9.772 -7.862 3.153 1.00 0.00 C ATOM 510 C GLN A 33 10.919 -8.564 3.864 1.00 0.00 C ATOM 511 O GLN A 33 11.255 -9.699 3.508 1.00 0.00 O ATOM 512 CB GLN A 33 10.235 -7.152 1.882 1.00 0.00 C ATOM 513 CG GLN A 33 9.149 -7.086 0.820 1.00 0.00 C ATOM 514 CD GLN A 33 8.704 -8.483 0.372 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.557 -8.701 0.008 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.618 -9.428 0.376 1.00 0.00 N ATOM 0 H GLN A 33 8.913 -6.034 3.696 1.00 0.00 H new ATOM 0 HA GLN A 33 9.097 -8.664 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.556 -6.141 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.104 -7.671 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.291 -6.539 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.516 -6.528 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.567 -9.218 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.378 -10.371 0.070 1.00 0.00 H new ATOM 525 N SER A 34 11.510 -7.930 4.844 1.00 0.00 N ATOM 526 CA SER A 34 12.555 -8.565 5.605 1.00 0.00 C ATOM 527 C SER A 34 12.000 -9.676 6.504 1.00 0.00 C ATOM 528 O SER A 34 12.476 -10.806 6.464 1.00 0.00 O ATOM 529 CB SER A 34 13.355 -7.519 6.384 1.00 0.00 C ATOM 530 OG SER A 34 12.514 -6.460 6.832 1.00 0.00 O ATOM 0 H SER A 34 11.287 -6.978 5.133 1.00 0.00 H new ATOM 0 HA SER A 34 13.243 -9.052 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.839 -7.990 7.240 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.146 -7.117 5.752 1.00 0.00 H new ATOM 0 HG SER A 34 11.629 -6.817 7.056 1.00 0.00 H new ATOM 536 N GLN A 35 10.938 -9.377 7.239 1.00 0.00 N ATOM 537 CA GLN A 35 10.342 -10.343 8.166 1.00 0.00 C ATOM 538 C GLN A 35 9.513 -11.400 7.424 1.00 0.00 C ATOM 539 O GLN A 35 9.196 -12.455 7.968 1.00 0.00 O ATOM 540 CB GLN A 35 9.515 -9.625 9.235 1.00 0.00 C ATOM 541 CG GLN A 35 8.354 -8.827 8.679 1.00 0.00 C ATOM 542 CD GLN A 35 7.664 -7.956 9.701 1.00 0.00 C ATOM 543 OE1 GLN A 35 8.397 -7.459 10.662 1.00 0.00 O flip ATOM 544 NE2 GLN A 35 6.463 -7.708 9.600 1.00 0.00 N flip ATOM 0 H GLN A 35 10.467 -8.473 7.215 1.00 0.00 H new ATOM 0 HA GLN A 35 11.152 -10.872 8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.132 -10.363 9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.167 -8.956 9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.715 -8.198 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.625 -9.515 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.921 -8.113 8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.010 -7.097 10.279 1.00 0.00 H new ATOM 553 N ARG A 36 9.148 -11.097 6.189 1.00 0.00 N ATOM 554 CA ARG A 36 8.416 -12.020 5.351 1.00 0.00 C ATOM 555 C ARG A 36 9.366 -13.089 4.857 1.00 0.00 C ATOM 556 O ARG A 36 8.965 -14.215 4.582 1.00 0.00 O ATOM 557 CB ARG A 36 7.820 -11.270 4.138 1.00 0.00 C ATOM 558 CG ARG A 36 7.030 -12.137 3.175 1.00 0.00 C ATOM 559 CD ARG A 36 6.585 -11.361 1.943 1.00 0.00 C ATOM 560 NE ARG A 36 5.837 -12.215 1.007 1.00 0.00 N ATOM 561 CZ ARG A 36 5.566 -11.932 -0.286 1.00 0.00 C ATOM 562 NH1 ARG A 36 5.980 -10.784 -0.848 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.885 -12.808 -1.015 1.00 0.00 N ATOM 0 H ARG A 36 9.353 -10.203 5.743 1.00 0.00 H new ATOM 0 HA ARG A 36 7.607 -12.471 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.171 -10.475 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.632 -10.791 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.640 -12.986 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.155 -12.541 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.962 -10.520 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.458 -10.945 1.439 1.00 0.00 H new ATOM 0 HE ARG A 36 5.491 -13.104 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.509 -10.108 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.765 -10.588 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.572 -13.685 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.675 -12.604 -1.992 1.00 0.00 H new ATOM 577 N GLY A 37 10.635 -12.729 4.763 1.00 0.00 N ATOM 578 CA GLY A 37 11.655 -13.632 4.276 1.00 0.00 C ATOM 579 C GLY A 37 11.617 -13.788 2.765 1.00 0.00 C ATOM 580 O GLY A 37 12.637 -13.634 2.092 1.00 0.00 O ATOM 0 H GLY A 37 10.983 -11.806 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.636 -13.263 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.525 -14.608 4.743 1.00 0.00 H new ATOM 584 N ASP A 38 10.437 -14.078 2.249 1.00 0.00 N ATOM 585 CA ASP A 38 10.203 -14.293 0.827 1.00 0.00 C ATOM 586 C ASP A 38 10.340 -13.003 0.064 1.00 0.00 C ATOM 587 O ASP A 38 9.434 -12.154 0.086 1.00 0.00 O ATOM 588 CB ASP A 38 8.795 -14.853 0.555 1.00 0.00 C ATOM 589 CG ASP A 38 8.504 -16.172 1.216 1.00 0.00 C ATOM 590 OD1 ASP A 38 8.955 -17.218 0.717 1.00 0.00 O ATOM 591 OD2 ASP A 38 7.775 -16.188 2.230 1.00 0.00 O ATOM 0 H ASP A 38 9.595 -14.173 2.816 1.00 0.00 H new ATOM 0 HA ASP A 38 10.950 -15.015 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.058 -14.124 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.665 -14.965 -0.521 1.00 0.00 H new ATOM 596 N TYR A 39 11.445 -12.820 -0.587 1.00 0.00 N ATOM 597 CA TYR A 39 11.637 -11.643 -1.368 1.00 0.00 C ATOM 598 C TYR A 39 11.455 -11.967 -2.834 1.00 0.00 C ATOM 599 O TYR A 39 12.384 -12.383 -3.520 1.00 0.00 O ATOM 600 CB TYR A 39 13.003 -10.984 -1.106 1.00 0.00 C ATOM 601 CG TYR A 39 13.172 -9.618 -1.769 1.00 0.00 C ATOM 602 CD1 TYR A 39 12.786 -8.455 -1.115 1.00 0.00 C ATOM 603 CD2 TYR A 39 13.711 -9.497 -3.043 1.00 0.00 C ATOM 604 CE1 TYR A 39 12.930 -7.215 -1.712 1.00 0.00 C ATOM 605 CE2 TYR A 39 13.857 -8.264 -3.645 1.00 0.00 C ATOM 606 CZ TYR A 39 13.469 -7.127 -2.978 1.00 0.00 C ATOM 607 OH TYR A 39 13.613 -5.894 -3.584 1.00 0.00 O ATOM 0 H TYR A 39 12.229 -13.473 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 39 10.884 -10.914 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.141 -10.874 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.790 -11.649 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.366 -8.520 -0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.022 -10.385 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.622 -6.321 -1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.275 -8.193 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 39 14.010 -6.011 -4.473 1.00 0.00 H new ATOM 617 N ASN A 40 10.243 -11.847 -3.286 1.00 0.00 N ATOM 618 CA ASN A 40 9.929 -12.033 -4.691 1.00 0.00 C ATOM 619 C ASN A 40 10.239 -10.740 -5.423 1.00 0.00 C ATOM 620 O ASN A 40 10.649 -10.742 -6.571 1.00 0.00 O ATOM 621 CB ASN A 40 8.452 -12.460 -4.890 1.00 0.00 C ATOM 622 CG ASN A 40 7.434 -11.458 -4.357 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.699 -10.716 -3.405 1.00 0.00 O ATOM 624 ND2 ASN A 40 6.271 -11.438 -4.935 1.00 0.00 N ATOM 0 H ASN A 40 9.439 -11.618 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 40 10.538 -12.839 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.270 -12.614 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.293 -13.419 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.548 -10.798 -4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.080 -12.062 -5.719 1.00 0.00 H new ATOM 631 N GLY A 41 10.016 -9.629 -4.736 1.00 0.00 N ATOM 632 CA GLY A 41 10.395 -8.335 -5.243 1.00 0.00 C ATOM 633 C GLY A 41 9.306 -7.633 -6.015 1.00 0.00 C ATOM 634 O GLY A 41 9.318 -6.412 -6.113 1.00 0.00 O ATOM 0 H GLY A 41 9.570 -9.607 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.698 -7.704 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.266 -8.450 -5.888 1.00 0.00 H new ATOM 638 N LYS A 42 8.370 -8.385 -6.548 1.00 0.00 N ATOM 639 CA LYS A 42 7.331 -7.809 -7.378 1.00 0.00 C ATOM 640 C LYS A 42 6.090 -7.436 -6.567 1.00 0.00 C ATOM 641 O LYS A 42 5.749 -6.274 -6.463 1.00 0.00 O ATOM 642 CB LYS A 42 6.975 -8.774 -8.515 1.00 0.00 C ATOM 643 CG LYS A 42 5.992 -8.236 -9.562 1.00 0.00 C ATOM 644 CD LYS A 42 6.504 -6.961 -10.218 1.00 0.00 C ATOM 645 CE LYS A 42 5.656 -6.548 -11.407 1.00 0.00 C ATOM 646 NZ LYS A 42 4.242 -6.341 -11.053 1.00 0.00 N ATOM 0 H LYS A 42 8.305 -9.395 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 42 7.718 -6.884 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.895 -9.063 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.553 -9.680 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.824 -8.995 -10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.029 -8.040 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.514 -6.155 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.534 -7.110 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.058 -5.629 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.724 -7.313 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.730 -5.963 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.819 -7.247 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.177 -5.666 -10.265 1.00 0.00 H new ATOM 660 N VAL A 43 5.427 -8.414 -5.982 1.00 0.00 N ATOM 661 CA VAL A 43 4.185 -8.144 -5.265 1.00 0.00 C ATOM 662 C VAL A 43 4.229 -8.596 -3.813 1.00 0.00 C ATOM 663 O VAL A 43 4.872 -9.597 -3.472 1.00 0.00 O ATOM 664 CB VAL A 43 2.938 -8.766 -5.964 1.00 0.00 C ATOM 665 CG1 VAL A 43 2.677 -8.109 -7.306 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.090 -10.274 -6.138 1.00 0.00 C ATOM 0 H VAL A 43 5.718 -9.392 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 43 4.086 -7.059 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 43 2.081 -8.582 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.801 -8.564 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.499 -7.044 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.543 -8.247 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.203 -10.675 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.968 -10.483 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.208 -10.743 -5.161 1.00 0.00 H new ATOM 676 N LEU A 44 3.570 -7.852 -2.981 1.00 0.00 N ATOM 677 CA LEU A 44 3.436 -8.152 -1.583 1.00 0.00 C ATOM 678 C LEU A 44 1.959 -8.123 -1.218 1.00 0.00 C ATOM 679 O LEU A 44 1.312 -7.089 -1.305 1.00 0.00 O ATOM 680 CB LEU A 44 4.219 -7.114 -0.761 1.00 0.00 C ATOM 681 CG LEU A 44 4.063 -7.157 0.765 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.485 -8.499 1.328 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.864 -6.036 1.401 1.00 0.00 C ATOM 0 H LEU A 44 3.095 -6.993 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 44 3.839 -9.141 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.277 -7.229 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.923 -6.122 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 44 3.008 -7.019 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.362 -8.494 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.867 -9.286 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.531 -8.684 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.747 -6.074 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.917 -6.151 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.504 -5.076 1.031 1.00 0.00 H new ATOM 695 N SER A 45 1.421 -9.251 -0.860 1.00 0.00 N ATOM 696 CA SER A 45 0.036 -9.320 -0.483 1.00 0.00 C ATOM 697 C SER A 45 -0.142 -9.031 1.012 1.00 0.00 C ATOM 698 O SER A 45 0.219 -9.844 1.873 1.00 0.00 O ATOM 699 CB SER A 45 -0.542 -10.684 -0.860 1.00 0.00 C ATOM 700 OG SER A 45 -0.360 -10.923 -2.252 1.00 0.00 O ATOM 0 H SER A 45 1.920 -10.140 -0.820 1.00 0.00 H new ATOM 0 HA SER A 45 -0.513 -8.553 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.053 -11.468 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.603 -10.720 -0.612 1.00 0.00 H new ATOM 0 HG SER A 45 -0.731 -11.799 -2.485 1.00 0.00 H new ATOM 706 N ILE A 46 -0.664 -7.871 1.307 1.00 0.00 N ATOM 707 CA ILE A 46 -0.933 -7.475 2.664 1.00 0.00 C ATOM 708 C ILE A 46 -2.419 -7.648 2.929 1.00 0.00 C ATOM 709 O ILE A 46 -3.187 -8.006 2.019 1.00 0.00 O ATOM 710 CB ILE A 46 -0.499 -6.008 2.964 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.259 -5.001 2.076 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.009 -5.858 2.789 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.932 -3.545 2.353 1.00 0.00 C ATOM 0 H ILE A 46 -0.916 -7.170 0.610 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.344 -8.109 3.326 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.754 -5.785 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.037 -5.218 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.330 -5.152 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.299 -4.829 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.524 -6.529 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.283 -6.108 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.511 -2.908 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.181 -3.306 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.132 -3.373 2.187 1.00 0.00 H new ATOM 725 N ARG A 47 -2.827 -7.442 4.140 1.00 0.00 N ATOM 726 CA ARG A 47 -4.213 -7.598 4.496 1.00 0.00 C ATOM 727 C ARG A 47 -4.837 -6.252 4.839 1.00 0.00 C ATOM 728 O ARG A 47 -4.146 -5.221 4.849 1.00 0.00 O ATOM 729 CB ARG A 47 -4.384 -8.605 5.647 1.00 0.00 C ATOM 730 CG ARG A 47 -4.337 -10.094 5.251 1.00 0.00 C ATOM 731 CD ARG A 47 -3.020 -10.528 4.622 1.00 0.00 C ATOM 732 NE ARG A 47 -3.038 -11.952 4.275 1.00 0.00 N ATOM 733 CZ ARG A 47 -2.065 -12.624 3.646 1.00 0.00 C ATOM 734 NH1 ARG A 47 -0.962 -12.007 3.237 1.00 0.00 N ATOM 735 NH2 ARG A 47 -2.207 -13.923 3.433 1.00 0.00 N ATOM 0 H ARG A 47 -2.219 -7.163 4.910 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.740 -8.001 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.603 -8.420 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.338 -8.409 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.521 -10.701 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.147 -10.299 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.830 -9.936 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.202 -10.331 5.314 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.870 -12.481 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.847 -11.007 3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.230 -12.533 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.051 -14.402 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.472 -14.445 2.955 1.00 0.00 H new ATOM 749 N GLN A 48 -6.130 -6.257 5.131 1.00 0.00 N ATOM 750 CA GLN A 48 -6.875 -5.031 5.452 1.00 0.00 C ATOM 751 C GLN A 48 -6.358 -4.416 6.725 1.00 0.00 C ATOM 752 O GLN A 48 -6.367 -3.198 6.891 1.00 0.00 O ATOM 753 CB GLN A 48 -8.344 -5.329 5.607 1.00 0.00 C ATOM 754 CG GLN A 48 -8.995 -5.852 4.359 1.00 0.00 C ATOM 755 CD GLN A 48 -10.398 -6.284 4.625 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.330 -5.509 4.503 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.561 -7.519 5.017 1.00 0.00 N ATOM 0 H GLN A 48 -6.698 -7.104 5.154 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.735 -4.329 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.474 -6.059 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.858 -4.420 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.989 -5.079 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.420 -6.692 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.754 -8.136 5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.495 -7.866 5.234 1.00 0.00 H new ATOM 766 N ASP A 49 -5.896 -5.272 7.610 1.00 0.00 N ATOM 767 CA ASP A 49 -5.296 -4.874 8.875 1.00 0.00 C ATOM 768 C ASP A 49 -4.100 -3.969 8.621 1.00 0.00 C ATOM 769 O ASP A 49 -3.906 -2.944 9.289 1.00 0.00 O ATOM 770 CB ASP A 49 -4.846 -6.119 9.635 1.00 0.00 C ATOM 771 CG ASP A 49 -4.242 -5.810 10.979 1.00 0.00 C ATOM 772 OD1 ASP A 49 -4.993 -5.764 11.978 1.00 0.00 O ATOM 773 OD2 ASP A 49 -3.011 -5.643 11.076 1.00 0.00 O ATOM 0 H ASP A 49 -5.925 -6.282 7.473 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.032 -4.330 9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.701 -6.781 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.117 -6.660 9.032 1.00 0.00 H new ATOM 778 N ASP A 50 -3.340 -4.319 7.607 1.00 0.00 N ATOM 779 CA ASP A 50 -2.160 -3.569 7.241 1.00 0.00 C ATOM 780 C ASP A 50 -2.570 -2.278 6.598 1.00 0.00 C ATOM 781 O ASP A 50 -2.047 -1.231 6.929 1.00 0.00 O ATOM 782 CB ASP A 50 -1.253 -4.367 6.307 1.00 0.00 C ATOM 783 CG ASP A 50 -0.814 -5.668 6.918 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.083 -5.642 7.941 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.210 -6.741 6.405 1.00 0.00 O ATOM 0 H ASP A 50 -3.522 -5.129 7.015 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.590 -3.361 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.780 -4.565 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.376 -3.770 6.058 1.00 0.00 H new ATOM 790 N LEU A 51 -3.562 -2.356 5.719 1.00 0.00 N ATOM 791 CA LEU A 51 -4.125 -1.180 5.042 1.00 0.00 C ATOM 792 C LEU A 51 -4.592 -0.159 6.089 1.00 0.00 C ATOM 793 O LEU A 51 -4.337 1.045 5.974 1.00 0.00 O ATOM 794 CB LEU A 51 -5.329 -1.604 4.204 1.00 0.00 C ATOM 795 CG LEU A 51 -5.958 -0.532 3.317 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.081 -0.245 2.109 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.354 -0.937 2.898 1.00 0.00 C ATOM 0 H LEU A 51 -4.004 -3.235 5.451 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.362 -0.736 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.026 -2.436 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.097 -1.981 4.879 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.036 0.389 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.550 0.522 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.105 0.106 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.958 -1.156 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.784 -0.160 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.310 -1.873 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.975 -1.070 3.784 1.00 0.00 H new ATOM 809 N ARG A 52 -5.255 -0.673 7.118 1.00 0.00 N ATOM 810 CA ARG A 52 -5.744 0.125 8.223 1.00 0.00 C ATOM 811 C ARG A 52 -4.579 0.798 8.945 1.00 0.00 C ATOM 812 O ARG A 52 -4.674 1.962 9.328 1.00 0.00 O ATOM 813 CB ARG A 52 -6.563 -0.752 9.191 1.00 0.00 C ATOM 814 CG ARG A 52 -7.167 -0.007 10.374 1.00 0.00 C ATOM 815 CD ARG A 52 -8.071 1.116 9.904 1.00 0.00 C ATOM 816 NE ARG A 52 -8.725 1.808 11.010 1.00 0.00 N ATOM 817 CZ ARG A 52 -8.844 3.134 11.123 1.00 0.00 C ATOM 818 NH1 ARG A 52 -8.148 3.936 10.320 1.00 0.00 N ATOM 819 NH2 ARG A 52 -9.609 3.651 12.069 1.00 0.00 N ATOM 0 H ARG A 52 -5.468 -1.667 7.204 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.398 0.906 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.367 -1.231 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.921 -1.547 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.735 -0.701 10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.371 0.399 10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.485 1.832 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.829 0.711 9.234 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.122 1.235 11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.524 3.538 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.239 4.948 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.109 3.038 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.700 4.663 12.155 1.00 0.00 H new ATOM 833 N THR A 53 -3.484 0.067 9.083 1.00 0.00 N ATOM 834 CA THR A 53 -2.289 0.579 9.716 1.00 0.00 C ATOM 835 C THR A 53 -1.724 1.753 8.883 1.00 0.00 C ATOM 836 O THR A 53 -1.473 2.834 9.422 1.00 0.00 O ATOM 837 CB THR A 53 -1.223 -0.538 9.857 1.00 0.00 C ATOM 838 OG1 THR A 53 -1.805 -1.692 10.508 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.036 -0.051 10.678 1.00 0.00 C ATOM 0 H THR A 53 -3.403 -0.897 8.758 1.00 0.00 H new ATOM 0 HA THR A 53 -2.544 0.935 10.714 1.00 0.00 H new ATOM 0 HB THR A 53 -0.878 -0.808 8.859 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.468 -2.103 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.699 -0.851 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.419 0.809 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.376 0.238 11.673 1.00 0.00 H new ATOM 847 N LEU A 54 -1.591 1.537 7.559 1.00 0.00 N ATOM 848 CA LEU A 54 -1.103 2.566 6.611 1.00 0.00 C ATOM 849 C LEU A 54 -1.892 3.850 6.745 1.00 0.00 C ATOM 850 O LEU A 54 -1.317 4.940 6.845 1.00 0.00 O ATOM 851 CB LEU A 54 -1.203 2.084 5.149 1.00 0.00 C ATOM 852 CG LEU A 54 -0.042 1.257 4.574 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.217 0.011 5.363 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.321 0.908 3.132 1.00 0.00 C ATOM 0 H LEU A 54 -1.818 0.647 7.115 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.058 2.747 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.112 1.490 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.330 2.963 4.517 1.00 0.00 H new ATOM 0 HG LEU A 54 0.856 1.872 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.046 -0.537 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.469 0.276 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.676 -0.614 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.507 0.322 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.241 0.326 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.431 1.824 2.551 1.00 0.00 H new ATOM 866 N ALA A 55 -3.199 3.703 6.775 1.00 0.00 N ATOM 867 CA ALA A 55 -4.123 4.810 6.901 1.00 0.00 C ATOM 868 C ALA A 55 -3.817 5.666 8.139 1.00 0.00 C ATOM 869 O ALA A 55 -3.779 6.896 8.061 1.00 0.00 O ATOM 870 CB ALA A 55 -5.547 4.277 6.950 1.00 0.00 C ATOM 0 H ALA A 55 -3.658 2.794 6.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.009 5.456 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.244 5.110 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.761 3.727 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.657 3.612 7.807 1.00 0.00 H new ATOM 876 N VAL A 56 -3.513 5.011 9.243 1.00 0.00 N ATOM 877 CA VAL A 56 -3.254 5.704 10.490 1.00 0.00 C ATOM 878 C VAL A 56 -1.897 6.404 10.431 1.00 0.00 C ATOM 879 O VAL A 56 -1.757 7.555 10.856 1.00 0.00 O ATOM 880 CB VAL A 56 -3.304 4.731 11.708 1.00 0.00 C ATOM 881 CG1 VAL A 56 -3.031 5.463 13.011 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.652 4.028 11.782 1.00 0.00 C ATOM 0 H VAL A 56 -3.439 3.995 9.301 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.038 6.449 10.626 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.523 3.985 11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.073 4.757 13.841 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.042 5.919 12.972 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.782 6.239 13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.664 3.354 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.443 4.769 11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.815 3.456 10.868 1.00 0.00 H new ATOM 892 N ILE A 57 -0.921 5.723 9.860 1.00 0.00 N ATOM 893 CA ILE A 57 0.432 6.252 9.760 1.00 0.00 C ATOM 894 C ILE A 57 0.457 7.516 8.901 1.00 0.00 C ATOM 895 O ILE A 57 0.940 8.563 9.331 1.00 0.00 O ATOM 896 CB ILE A 57 1.419 5.217 9.141 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.364 3.901 9.909 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.850 5.769 9.130 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.286 2.826 9.371 1.00 0.00 C ATOM 0 H ILE A 57 -1.039 4.795 9.454 1.00 0.00 H new ATOM 0 HA ILE A 57 0.751 6.481 10.777 1.00 0.00 H new ATOM 0 HB ILE A 57 1.115 5.032 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.617 4.092 10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.340 3.527 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.522 5.030 8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.883 6.683 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.164 5.987 10.151 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.184 1.924 9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.021 2.603 8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.317 3.177 9.413 1.00 0.00 H new ATOM 911 N TYR A 58 -0.127 7.431 7.720 1.00 0.00 N ATOM 912 CA TYR A 58 -0.036 8.516 6.738 1.00 0.00 C ATOM 913 C TYR A 58 -1.128 9.559 6.947 1.00 0.00 C ATOM 914 O TYR A 58 -1.218 10.528 6.193 1.00 0.00 O ATOM 915 CB TYR A 58 -0.096 7.951 5.307 1.00 0.00 C ATOM 916 CG TYR A 58 0.819 6.758 5.084 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.074 6.683 5.675 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.394 5.681 4.336 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.865 5.570 5.516 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.180 4.564 4.184 1.00 0.00 C ATOM 921 CZ TYR A 58 2.415 4.518 4.781 1.00 0.00 C ATOM 922 OH TYR A 58 3.198 3.409 4.653 1.00 0.00 O ATOM 0 H TYR A 58 -0.671 6.626 7.410 1.00 0.00 H new ATOM 0 HA TYR A 58 0.924 9.012 6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.122 7.658 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.171 8.739 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.433 7.511 6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.575 5.716 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.842 5.531 5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.828 3.728 3.598 1.00 0.00 H new ATOM 0 HH TYR A 58 2.799 2.667 5.154 1.00 0.00 H new ATOM 932 N ASP A 59 -1.942 9.340 7.975 1.00 0.00 N ATOM 933 CA ASP A 59 -3.045 10.236 8.367 1.00 0.00 C ATOM 934 C ASP A 59 -4.051 10.389 7.229 1.00 0.00 C ATOM 935 O ASP A 59 -4.281 11.474 6.695 1.00 0.00 O ATOM 936 CB ASP A 59 -2.522 11.614 8.875 1.00 0.00 C ATOM 937 CG ASP A 59 -3.617 12.536 9.414 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.986 12.420 10.596 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.101 13.414 8.680 1.00 0.00 O ATOM 0 H ASP A 59 -1.859 8.520 8.576 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.565 9.775 9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.785 11.444 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.006 12.119 8.058 1.00 0.00 H new ATOM 944 N GLN A 60 -4.594 9.288 6.809 1.00 0.00 N ATOM 945 CA GLN A 60 -5.588 9.271 5.765 1.00 0.00 C ATOM 946 C GLN A 60 -6.650 8.271 6.113 1.00 0.00 C ATOM 947 O GLN A 60 -6.361 7.252 6.712 1.00 0.00 O ATOM 948 CB GLN A 60 -4.982 8.957 4.373 1.00 0.00 C ATOM 949 CG GLN A 60 -4.052 10.043 3.829 1.00 0.00 C ATOM 950 CD GLN A 60 -3.546 9.755 2.430 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.169 10.130 1.443 1.00 0.00 O ATOM 952 NE2 GLN A 60 -2.402 9.132 2.327 1.00 0.00 N ATOM 0 H GLN A 60 -4.363 8.366 7.180 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.021 10.269 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.429 8.020 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.794 8.802 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.580 10.996 3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.200 10.152 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.907 8.832 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.004 8.946 1.407 1.00 0.00 H new ATOM 961 N SER A 61 -7.868 8.584 5.786 1.00 0.00 N ATOM 962 CA SER A 61 -8.973 7.695 6.023 1.00 0.00 C ATOM 963 C SER A 61 -8.781 6.417 5.170 1.00 0.00 C ATOM 964 O SER A 61 -8.289 6.515 4.038 1.00 0.00 O ATOM 965 CB SER A 61 -10.243 8.434 5.636 1.00 0.00 C ATOM 966 OG SER A 61 -10.243 9.736 6.228 1.00 0.00 O ATOM 0 H SER A 61 -8.128 9.466 5.345 1.00 0.00 H new ATOM 0 HA SER A 61 -9.034 7.394 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.310 8.517 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.117 7.873 5.968 1.00 0.00 H new ATOM 0 HG SER A 61 -11.062 10.210 5.975 1.00 0.00 H new ATOM 972 N PRO A 62 -9.134 5.214 5.710 1.00 0.00 N ATOM 973 CA PRO A 62 -8.944 3.909 5.031 1.00 0.00 C ATOM 974 C PRO A 62 -9.332 3.909 3.547 1.00 0.00 C ATOM 975 O PRO A 62 -8.561 3.447 2.697 1.00 0.00 O ATOM 976 CB PRO A 62 -9.866 2.979 5.815 1.00 0.00 C ATOM 977 CG PRO A 62 -9.858 3.534 7.193 1.00 0.00 C ATOM 978 CD PRO A 62 -9.743 5.033 7.048 1.00 0.00 C ATOM 0 HA PRO A 62 -7.893 3.620 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.872 2.969 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.503 1.951 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.770 3.264 7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.023 3.134 7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.718 5.517 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.121 5.464 7.832 1.00 0.00 H new ATOM 986 N SER A 63 -10.494 4.448 3.243 1.00 0.00 N ATOM 987 CA SER A 63 -10.984 4.494 1.883 1.00 0.00 C ATOM 988 C SER A 63 -10.101 5.400 1.010 1.00 0.00 C ATOM 989 O SER A 63 -9.702 5.007 -0.077 1.00 0.00 O ATOM 990 CB SER A 63 -12.426 4.969 1.880 1.00 0.00 C ATOM 991 OG SER A 63 -13.221 4.152 2.737 1.00 0.00 O ATOM 0 H SER A 63 -11.123 4.865 3.929 1.00 0.00 H new ATOM 0 HA SER A 63 -10.942 3.492 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.474 6.007 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.824 4.938 0.866 1.00 0.00 H new ATOM 0 HG SER A 63 -14.147 4.471 2.726 1.00 0.00 H new ATOM 997 N VAL A 64 -9.743 6.569 1.540 1.00 0.00 N ATOM 998 CA VAL A 64 -8.898 7.541 0.832 1.00 0.00 C ATOM 999 C VAL A 64 -7.524 6.935 0.566 1.00 0.00 C ATOM 1000 O VAL A 64 -6.963 7.069 -0.525 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.740 8.848 1.666 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.832 9.855 0.969 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -10.096 9.468 1.928 1.00 0.00 C ATOM 0 H VAL A 64 -10.028 6.872 2.471 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.378 7.788 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.275 8.580 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.747 10.753 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.844 9.417 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.255 10.116 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.972 10.380 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.577 9.706 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.717 8.764 2.482 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.019 6.230 1.560 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.742 5.557 1.472 1.00 0.00 C ATOM 1015 C LEU A 65 -5.812 4.487 0.366 1.00 0.00 C ATOM 1016 O LEU A 65 -4.889 4.350 -0.436 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.371 4.975 2.873 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.955 4.373 3.088 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.790 3.023 2.426 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.879 5.332 2.606 1.00 0.00 C ATOM 0 H LEU A 65 -7.489 6.109 2.457 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.947 6.250 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.505 5.771 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.098 4.198 3.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.842 4.222 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.782 2.649 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.517 2.324 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.952 3.122 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.897 4.888 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.018 5.530 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.950 6.267 3.161 1.00 0.00 H new ATOM 1032 N THR A 66 -6.929 3.788 0.299 1.00 0.00 N ATOM 1033 CA THR A 66 -7.145 2.787 -0.726 1.00 0.00 C ATOM 1034 C THR A 66 -7.177 3.457 -2.121 1.00 0.00 C ATOM 1035 O THR A 66 -6.553 2.967 -3.080 1.00 0.00 O ATOM 1036 CB THR A 66 -8.466 2.025 -0.465 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.438 1.464 0.854 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.666 0.904 -1.473 1.00 0.00 C ATOM 0 H THR A 66 -7.707 3.897 0.949 1.00 0.00 H new ATOM 0 HA THR A 66 -6.323 2.072 -0.698 1.00 0.00 H new ATOM 0 HB THR A 66 -9.290 2.732 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.593 2.172 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.603 0.388 -1.262 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.700 1.321 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.839 0.198 -1.401 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.859 4.609 -2.205 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.959 5.369 -3.447 1.00 0.00 C ATOM 1048 C GLU A 67 -6.572 5.783 -3.937 1.00 0.00 C ATOM 1049 O GLU A 67 -6.299 5.740 -5.137 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.863 6.603 -3.285 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.295 6.276 -2.877 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.196 7.491 -2.814 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.094 8.297 -1.843 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.030 7.666 -3.729 1.00 0.00 O ATOM 0 H GLU A 67 -8.351 5.032 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.416 4.720 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.426 7.265 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.881 7.153 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.712 5.560 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.285 5.790 -1.901 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.696 6.143 -2.993 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.312 6.513 -3.277 1.00 0.00 C ATOM 1063 C GLN A 68 -3.580 5.393 -3.995 1.00 0.00 C ATOM 1064 O GLN A 68 -3.077 5.579 -5.100 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.576 6.842 -1.979 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.008 8.126 -1.306 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.698 9.341 -2.143 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.622 9.918 -2.040 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.620 9.742 -2.963 1.00 0.00 N ATOM 0 H GLN A 68 -5.933 6.185 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.330 7.391 -3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.718 6.018 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.508 6.901 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.079 8.087 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.508 8.214 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.504 9.237 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.461 10.562 -3.548 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.568 4.222 -3.383 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.880 3.060 -3.934 1.00 0.00 C ATOM 1080 C LEU A 69 -3.412 2.669 -5.310 1.00 0.00 C ATOM 1081 O LEU A 69 -2.645 2.261 -6.190 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.927 1.869 -2.964 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.905 1.846 -1.803 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.494 1.732 -2.334 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.025 3.061 -0.898 1.00 0.00 C ATOM 0 H LEU A 69 -4.033 4.046 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.837 3.347 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.927 1.828 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.794 0.957 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.135 0.967 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.208 1.718 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.395 0.811 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.277 2.585 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.285 2.995 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.852 3.966 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.024 3.094 -0.464 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.706 2.810 -5.506 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.310 2.526 -6.798 1.00 0.00 C ATOM 1099 C ILE A 70 -4.929 3.617 -7.815 1.00 0.00 C ATOM 1100 O ILE A 70 -4.671 3.325 -8.974 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.859 2.380 -6.691 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.205 1.211 -5.754 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.491 2.166 -8.071 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.687 1.017 -5.515 1.00 0.00 C ATOM 0 H ILE A 70 -5.363 3.119 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.920 1.570 -7.148 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.267 3.303 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.794 0.292 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.713 1.373 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.571 2.068 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.265 3.019 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.086 1.259 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.840 0.172 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.104 1.918 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.186 0.821 -6.464 1.00 0.00 H new ATOM 1116 N SER A 71 -4.810 4.845 -7.346 1.00 0.00 N ATOM 1117 CA SER A 71 -4.473 5.987 -8.190 1.00 0.00 C ATOM 1118 C SER A 71 -3.031 5.871 -8.700 1.00 0.00 C ATOM 1119 O SER A 71 -2.714 6.302 -9.811 1.00 0.00 O ATOM 1120 CB SER A 71 -4.675 7.298 -7.392 1.00 0.00 C ATOM 1121 OG SER A 71 -4.406 8.460 -8.165 1.00 0.00 O ATOM 0 H SER A 71 -4.944 5.085 -6.364 1.00 0.00 H new ATOM 0 HA SER A 71 -5.133 6.000 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.701 7.340 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.024 7.290 -6.518 1.00 0.00 H new ATOM 0 HG SER A 71 -4.550 9.259 -7.616 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.163 5.279 -7.892 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.777 5.087 -8.290 1.00 0.00 C ATOM 1129 C TRP A 72 -0.630 3.775 -9.061 1.00 0.00 C ATOM 1130 O TRP A 72 0.435 3.464 -9.590 1.00 0.00 O ATOM 1131 CB TRP A 72 0.146 5.069 -7.072 1.00 0.00 C ATOM 1132 CG TRP A 72 0.016 6.253 -6.157 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.231 7.553 -6.499 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.160 6.234 -4.738 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.278 8.333 -5.367 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.032 7.547 -4.277 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.424 5.224 -3.813 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.034 7.878 -2.927 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.495 5.552 -2.474 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.300 6.868 -2.041 1.00 0.00 C ATOM 0 H TRP A 72 -2.392 4.926 -6.963 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.491 5.922 -8.930 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.052 4.163 -6.499 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.178 5.008 -7.418 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.369 7.914 -7.508 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.466 9.335 -5.345 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.570 4.205 -4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.119 8.893 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.705 4.780 -1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.360 7.092 -0.986 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.705 3.002 -9.094 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.715 1.737 -9.796 1.00 0.00 C ATOM 1153 C GLY A 73 -0.916 0.684 -9.081 1.00 0.00 C ATOM 1154 O GLY A 73 -0.392 -0.234 -9.695 1.00 0.00 O ATOM 0 H GLY A 73 -2.587 3.236 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.744 1.395 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.313 1.877 -10.799 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.825 0.819 -7.787 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.069 -0.110 -6.978 1.00 0.00 C ATOM 1160 C VAL A 74 -1.007 -1.198 -6.456 1.00 0.00 C ATOM 1161 O VAL A 74 -0.610 -2.346 -6.264 1.00 0.00 O ATOM 1162 CB VAL A 74 0.623 0.623 -5.791 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.454 -0.335 -4.964 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.501 1.754 -6.298 1.00 0.00 C ATOM 0 H VAL A 74 -1.269 1.571 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 74 0.711 -0.562 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.163 1.036 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.924 0.206 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.812 -1.119 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.224 -0.783 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.975 2.253 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.268 1.351 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.890 2.471 -6.847 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.254 -0.829 -6.271 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.259 -1.743 -5.783 1.00 0.00 C ATOM 1176 C LEU A 75 -4.264 -2.031 -6.892 1.00 0.00 C ATOM 1177 O LEU A 75 -4.398 -1.239 -7.842 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.961 -1.144 -4.547 1.00 0.00 C ATOM 1179 CG LEU A 75 -5.044 -1.995 -3.862 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.457 -3.277 -3.293 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.740 -1.197 -2.772 1.00 0.00 C ATOM 0 H LEU A 75 -2.599 0.113 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.788 -2.680 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.196 -0.913 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.414 -0.198 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.782 -2.269 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.246 -3.858 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.012 -3.862 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.691 -3.031 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.503 -1.816 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.009 -0.887 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.208 -0.315 -3.209 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.911 -3.170 -6.792 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.938 -3.600 -7.730 1.00 0.00 C ATOM 1195 C ASP A 76 -7.172 -2.705 -7.619 1.00 0.00 C ATOM 1196 O ASP A 76 -7.570 -2.317 -6.516 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.297 -5.066 -7.448 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.445 -5.587 -8.276 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -7.254 -5.896 -9.469 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -8.550 -5.731 -7.740 1.00 0.00 O ATOM 0 H ASP A 76 -4.739 -3.841 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.558 -3.516 -8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.419 -5.686 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.547 -5.172 -6.392 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.767 -2.381 -8.753 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.910 -1.477 -8.806 1.00 0.00 C ATOM 1207 C ALA A 77 -10.164 -2.082 -8.180 1.00 0.00 C ATOM 1208 O ALA A 77 -10.959 -1.379 -7.575 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.183 -1.050 -10.242 1.00 0.00 C ATOM 0 H ALA A 77 -7.475 -2.735 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.651 -0.599 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.039 -0.376 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.308 -0.539 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.398 -1.930 -10.849 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.326 -3.374 -8.301 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.510 -4.064 -7.767 1.00 0.00 C ATOM 1217 C ASP A 78 -11.405 -4.255 -6.261 1.00 0.00 C ATOM 1218 O ASP A 78 -12.416 -4.323 -5.561 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.703 -5.403 -8.493 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.730 -6.331 -7.861 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -13.945 -6.125 -8.051 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.319 -7.321 -7.197 1.00 0.00 O ATOM 0 H ASP A 78 -9.657 -3.988 -8.765 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.388 -3.444 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.001 -5.202 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.744 -5.920 -8.533 1.00 0.00 H new ATOM 1227 N ALA A 79 -10.174 -4.246 -5.767 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.862 -4.447 -4.346 1.00 0.00 C ATOM 1229 C ALA A 79 -10.608 -3.493 -3.408 1.00 0.00 C ATOM 1230 O ALA A 79 -10.852 -3.834 -2.247 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.365 -4.349 -4.105 1.00 0.00 C ATOM 0 H ALA A 79 -9.347 -4.097 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.210 -5.452 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.156 -4.501 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.852 -5.113 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.012 -3.363 -4.407 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.012 -2.312 -3.897 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.700 -1.379 -3.009 1.00 0.00 C ATOM 1239 C ARG A 80 -13.112 -1.870 -2.667 1.00 0.00 C ATOM 1240 O ARG A 80 -13.714 -1.386 -1.733 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.704 0.098 -3.501 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.888 0.548 -4.362 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.954 -0.134 -5.703 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.107 0.326 -6.477 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.371 -0.005 -7.740 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -13.492 -0.710 -8.446 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.490 0.423 -8.309 1.00 0.00 N ATOM 0 H ARG A 80 -10.881 -1.994 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.109 -1.365 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.658 0.745 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.790 0.267 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.814 0.355 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.826 1.625 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.038 0.063 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.015 -1.213 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.763 0.952 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.611 -1.000 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.698 -0.961 -9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.142 1.002 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.698 0.173 -9.276 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.619 -2.851 -3.421 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.919 -3.447 -3.121 1.00 0.00 C ATOM 1263 C ARG A 81 -14.820 -4.265 -1.851 1.00 0.00 C ATOM 1264 O ARG A 81 -15.747 -4.296 -1.051 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.420 -4.319 -4.277 1.00 0.00 C ATOM 1266 CG ARG A 81 -16.586 -3.726 -5.057 1.00 0.00 C ATOM 1267 CD ARG A 81 -17.847 -3.622 -4.193 1.00 0.00 C ATOM 1268 NE ARG A 81 -18.293 -4.937 -3.701 1.00 0.00 N ATOM 1269 CZ ARG A 81 -19.296 -5.149 -2.830 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -19.974 -4.130 -2.322 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.611 -6.390 -2.466 1.00 0.00 N ATOM 0 H ARG A 81 -13.151 -3.245 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.640 -2.642 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.593 -4.498 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.721 -5.289 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.313 -2.737 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.793 -4.345 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.652 -2.966 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.647 -3.163 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.799 -5.758 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.737 -3.175 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.733 -4.301 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.092 -7.181 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.372 -6.550 -1.806 1.00 0.00 H new