USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 30 THR OG1 : rot 141:sc= 0.396 USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= -0.547 F(o=-1.1,f=-0.15) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0.191 USER MOD Set 2.2: A 21 GLN : amide:sc= 0.387 K(o=0.58,f=-0.17) USER MOD Single : A 9 SER OG : rot -23:sc= 0.182 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.434 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -1.67! (180deg=-4.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0746 X(o=-0.075,f=-0.11) USER MOD Single : A 53 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 66 CYS SG : rot -73:sc= -4.87! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0654 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -11.651 1.410 4.319 1.00 0.00 N ATOM 79 CA SER A 9 -10.857 0.285 3.856 1.00 0.00 C ATOM 80 C SER A 9 -11.756 -0.932 3.628 1.00 0.00 C ATOM 81 O SER A 9 -12.896 -0.960 4.088 1.00 0.00 O ATOM 82 CB SER A 9 -9.747 -0.054 4.853 1.00 0.00 C ATOM 83 OG SER A 9 -10.238 -0.142 6.188 1.00 0.00 O ATOM 0 HA SER A 9 -10.388 0.564 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.285 -1.001 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.969 0.708 4.802 1.00 0.00 H new ATOM 0 HG SER A 9 -11.065 0.377 6.267 1.00 0.00 H new ATOM 89 N LYS A 10 -11.209 -1.907 2.918 1.00 0.00 N ATOM 90 CA LYS A 10 -11.947 -3.124 2.623 1.00 0.00 C ATOM 91 C LYS A 10 -10.961 -4.269 2.387 1.00 0.00 C ATOM 92 O LYS A 10 -9.750 -4.055 2.362 1.00 0.00 O ATOM 93 CB LYS A 10 -12.915 -2.895 1.460 1.00 0.00 C ATOM 94 CG LYS A 10 -12.297 -3.348 0.136 1.00 0.00 C ATOM 95 CD LYS A 10 -13.276 -3.149 -1.022 1.00 0.00 C ATOM 96 CE LYS A 10 -12.764 -3.825 -2.296 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.848 -4.592 -2.948 1.00 0.00 N ATOM 0 H LYS A 10 -10.263 -1.879 2.538 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.568 -3.409 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.841 -3.442 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.175 -1.838 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.383 -2.785 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.016 -4.399 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.250 -3.560 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.418 -2.084 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.378 -3.073 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.935 -4.490 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.483 -5.044 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.197 -5.323 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.627 -3.949 -3.197 1.00 0.00 H new ATOM 111 N PRO A 11 -11.531 -5.492 2.215 1.00 0.00 N ATOM 112 CA PRO A 11 -10.716 -6.672 1.982 1.00 0.00 C ATOM 113 C PRO A 11 -10.171 -6.687 0.552 1.00 0.00 C ATOM 114 O PRO A 11 -10.937 -6.757 -0.407 1.00 0.00 O ATOM 115 CB PRO A 11 -11.631 -7.848 2.281 1.00 0.00 C ATOM 116 CG PRO A 11 -13.047 -7.300 2.220 1.00 0.00 C ATOM 117 CD PRO A 11 -12.962 -5.783 2.239 1.00 0.00 C ATOM 0 HA PRO A 11 -9.830 -6.703 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.490 -8.647 1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.417 -8.269 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.550 -7.643 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.632 -7.660 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.469 -5.347 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.435 -5.371 3.130 1.00 0.00 H new ATOM 125 N ILE A 12 -8.851 -6.621 0.456 1.00 0.00 N ATOM 126 CA ILE A 12 -8.194 -6.626 -0.840 1.00 0.00 C ATOM 127 C ILE A 12 -7.308 -7.868 -0.953 1.00 0.00 C ATOM 128 O ILE A 12 -6.840 -8.395 0.055 1.00 0.00 O ATOM 129 CB ILE A 12 -7.443 -5.312 -1.066 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.273 -5.175 -0.089 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.395 -4.117 -0.993 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.224 -4.198 -0.624 1.00 0.00 C ATOM 0 H ILE A 12 -8.219 -6.564 1.255 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.932 -6.686 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.023 -5.327 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.640 -4.828 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.816 -6.151 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.836 -3.196 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.163 -4.217 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.865 -4.086 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.403 -4.119 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.842 -4.561 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.678 -3.217 -0.765 1.00 0.00 H new ATOM 144 N LYS A 13 -7.104 -8.301 -2.189 1.00 0.00 N ATOM 145 CA LYS A 13 -6.283 -9.471 -2.446 1.00 0.00 C ATOM 146 C LYS A 13 -4.974 -9.035 -3.108 1.00 0.00 C ATOM 147 O LYS A 13 -4.988 -8.298 -4.094 1.00 0.00 O ATOM 148 CB LYS A 13 -7.065 -10.507 -3.256 1.00 0.00 C ATOM 149 CG LYS A 13 -7.776 -11.500 -2.333 1.00 0.00 C ATOM 150 CD LYS A 13 -6.916 -12.744 -2.101 1.00 0.00 C ATOM 151 CE LYS A 13 -7.757 -13.897 -1.548 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.886 -14.942 -0.966 1.00 0.00 N ATOM 0 H LYS A 13 -7.494 -7.862 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.019 -9.964 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.797 -10.003 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.386 -11.043 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.995 -11.022 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.731 -11.790 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.448 -13.047 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.111 -12.509 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.443 -13.523 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.366 -14.325 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.473 -15.717 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.249 -15.311 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.323 -14.534 -0.192 1.00 0.00 H new ATOM 166 N VAL A 14 -3.875 -9.507 -2.540 1.00 0.00 N ATOM 167 CA VAL A 14 -2.560 -9.175 -3.062 1.00 0.00 C ATOM 168 C VAL A 14 -1.802 -10.465 -3.383 1.00 0.00 C ATOM 169 O VAL A 14 -1.435 -11.214 -2.479 1.00 0.00 O ATOM 170 CB VAL A 14 -1.816 -8.274 -2.074 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.382 -8.015 -2.541 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.568 -6.960 -1.857 1.00 0.00 C ATOM 0 H VAL A 14 -3.868 -10.117 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.650 -8.611 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.768 -8.794 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.125 -7.372 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.152 -8.962 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.399 -7.526 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.018 -6.338 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.662 -6.434 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.561 -7.170 -1.459 1.00 0.00 H new ATOM 182 N THR A 15 -1.591 -10.685 -4.672 1.00 0.00 N ATOM 183 CA THR A 15 -0.884 -11.871 -5.123 1.00 0.00 C ATOM 184 C THR A 15 0.627 -11.631 -5.104 1.00 0.00 C ATOM 185 O THR A 15 1.116 -10.682 -5.716 1.00 0.00 O ATOM 186 CB THR A 15 -1.422 -12.246 -6.505 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.725 -12.759 -6.242 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.674 -13.429 -7.124 1.00 0.00 C ATOM 0 H THR A 15 -1.897 -10.062 -5.419 1.00 0.00 H new ATOM 0 HA THR A 15 -1.056 -12.713 -4.452 1.00 0.00 H new ATOM 0 HB THR A 15 -1.350 -11.384 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.148 -13.025 -7.085 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.096 -13.654 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.381 -13.176 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.774 -14.301 -6.478 1.00 0.00 H new ATOM 196 N LEU A 16 1.325 -12.506 -4.396 1.00 0.00 N ATOM 197 CA LEU A 16 2.770 -12.401 -4.289 1.00 0.00 C ATOM 198 C LEU A 16 3.394 -12.588 -5.674 1.00 0.00 C ATOM 199 O LEU A 16 2.755 -13.121 -6.580 1.00 0.00 O ATOM 200 CB LEU A 16 3.302 -13.378 -3.238 1.00 0.00 C ATOM 201 CG LEU A 16 2.635 -13.312 -1.863 1.00 0.00 C ATOM 202 CD1 LEU A 16 2.789 -14.638 -1.115 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.168 -12.131 -1.051 1.00 0.00 C ATOM 0 H LEU A 16 0.916 -13.292 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 16 3.055 -11.408 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.193 -14.391 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.370 -13.198 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 16 1.568 -13.146 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.306 -14.564 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.323 -15.437 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.848 -14.858 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.677 -12.107 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.244 -12.241 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.964 -11.202 -1.583 1.00 0.00 H new ATOM 215 N PRO A 17 4.667 -12.126 -5.797 1.00 0.00 N ATOM 216 CA PRO A 17 5.385 -12.237 -7.056 1.00 0.00 C ATOM 217 C PRO A 17 5.845 -13.675 -7.300 1.00 0.00 C ATOM 218 O PRO A 17 6.520 -13.955 -8.289 1.00 0.00 O ATOM 219 CB PRO A 17 6.539 -11.255 -6.938 1.00 0.00 C ATOM 220 CG PRO A 17 6.698 -10.975 -5.453 1.00 0.00 C ATOM 221 CD PRO A 17 5.455 -11.490 -4.746 1.00 0.00 C ATOM 0 HA PRO A 17 4.763 -11.998 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.454 -11.675 -7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.329 -10.338 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.590 -11.468 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.822 -9.906 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.712 -12.200 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.903 -10.677 -4.274 1.00 0.00 H new ATOM 229 N ASP A 18 5.462 -14.549 -6.381 1.00 0.00 N ATOM 230 CA ASP A 18 5.828 -15.952 -6.484 1.00 0.00 C ATOM 231 C ASP A 18 4.617 -16.756 -6.962 1.00 0.00 C ATOM 232 O ASP A 18 4.739 -17.937 -7.282 1.00 0.00 O ATOM 233 CB ASP A 18 6.260 -16.510 -5.126 1.00 0.00 C ATOM 234 CG ASP A 18 7.325 -17.607 -5.187 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.686 -17.984 -6.323 1.00 0.00 O ATOM 236 OD2 ASP A 18 7.753 -18.043 -4.097 1.00 0.00 O ATOM 0 H ASP A 18 4.902 -14.313 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 18 6.657 -16.034 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.639 -15.690 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.381 -16.905 -4.616 1.00 0.00 H new ATOM 241 N GLY A 19 3.476 -16.084 -6.994 1.00 0.00 N ATOM 242 CA GLY A 19 2.244 -16.721 -7.427 1.00 0.00 C ATOM 243 C GLY A 19 1.268 -16.879 -6.259 1.00 0.00 C ATOM 244 O GLY A 19 0.054 -16.823 -6.447 1.00 0.00 O ATOM 0 H GLY A 19 3.379 -15.104 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.781 -16.127 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.467 -17.699 -7.854 1.00 0.00 H new ATOM 248 N LYS A 20 1.836 -17.074 -5.077 1.00 0.00 N ATOM 249 CA LYS A 20 1.031 -17.240 -3.879 1.00 0.00 C ATOM 250 C LYS A 20 0.162 -15.998 -3.677 1.00 0.00 C ATOM 251 O LYS A 20 0.512 -14.910 -4.133 1.00 0.00 O ATOM 252 CB LYS A 20 1.920 -17.571 -2.678 1.00 0.00 C ATOM 253 CG LYS A 20 2.015 -19.083 -2.466 1.00 0.00 C ATOM 254 CD LYS A 20 3.022 -19.711 -3.431 1.00 0.00 C ATOM 255 CE LYS A 20 4.139 -20.427 -2.668 1.00 0.00 C ATOM 256 NZ LYS A 20 3.813 -21.861 -2.498 1.00 0.00 N ATOM 0 H LYS A 20 2.843 -17.121 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 20 0.355 -18.088 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.917 -17.159 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.517 -17.099 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.312 -19.291 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.035 -19.536 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.512 -20.418 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.450 -18.938 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.080 -20.323 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.278 -19.961 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.581 -22.332 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.925 -21.954 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.703 -22.305 -3.432 1.00 0.00 H new ATOM 270 N GLN A 21 -0.954 -16.200 -2.992 1.00 0.00 N ATOM 271 CA GLN A 21 -1.876 -15.110 -2.724 1.00 0.00 C ATOM 272 C GLN A 21 -1.874 -14.767 -1.233 1.00 0.00 C ATOM 273 O GLN A 21 -1.509 -15.598 -0.402 1.00 0.00 O ATOM 274 CB GLN A 21 -3.287 -15.454 -3.205 1.00 0.00 C ATOM 275 CG GLN A 21 -3.303 -15.723 -4.711 1.00 0.00 C ATOM 276 CD GLN A 21 -4.732 -15.698 -5.258 1.00 0.00 C ATOM 277 OE1 GLN A 21 -5.442 -16.689 -5.254 1.00 0.00 O ATOM 278 NE2 GLN A 21 -5.111 -14.513 -5.727 1.00 0.00 N ATOM 0 H GLN A 21 -1.240 -17.103 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.542 -14.233 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.653 -16.331 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.965 -14.633 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.700 -14.974 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.848 -16.692 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.466 -13.724 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.047 -14.393 -6.114 1.00 0.00 H new ATOM 287 N VAL A 22 -2.284 -13.542 -0.939 1.00 0.00 N ATOM 288 CA VAL A 22 -2.334 -13.080 0.437 1.00 0.00 C ATOM 289 C VAL A 22 -3.571 -12.200 0.631 1.00 0.00 C ATOM 290 O VAL A 22 -4.132 -11.690 -0.338 1.00 0.00 O ATOM 291 CB VAL A 22 -1.030 -12.365 0.796 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.942 -12.108 2.302 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.183 -13.157 0.304 1.00 0.00 C ATOM 0 H VAL A 22 -2.585 -12.855 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.426 -13.924 1.120 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.028 -11.399 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.006 -11.599 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.780 -11.484 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.978 -13.058 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.097 -12.627 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.186 -14.143 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.131 -13.266 -0.779 1.00 0.00 H new ATOM 303 N ASP A 23 -3.960 -12.049 1.889 1.00 0.00 N ATOM 304 CA ASP A 23 -5.120 -11.240 2.221 1.00 0.00 C ATOM 305 C ASP A 23 -4.654 -9.897 2.787 1.00 0.00 C ATOM 306 O ASP A 23 -3.905 -9.856 3.762 1.00 0.00 O ATOM 307 CB ASP A 23 -5.984 -11.926 3.282 1.00 0.00 C ATOM 308 CG ASP A 23 -7.095 -12.821 2.731 1.00 0.00 C ATOM 309 OD1 ASP A 23 -8.121 -12.251 2.299 1.00 0.00 O ATOM 310 OD2 ASP A 23 -6.894 -14.054 2.753 1.00 0.00 O ATOM 0 H ASP A 23 -3.492 -12.473 2.690 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.706 -11.101 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.338 -12.527 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.435 -11.160 3.913 1.00 0.00 H new ATOM 315 N ALA A 24 -5.117 -8.831 2.151 1.00 0.00 N ATOM 316 CA ALA A 24 -4.757 -7.490 2.579 1.00 0.00 C ATOM 317 C ALA A 24 -6.012 -6.614 2.607 1.00 0.00 C ATOM 318 O ALA A 24 -7.078 -7.037 2.163 1.00 0.00 O ATOM 319 CB ALA A 24 -3.677 -6.930 1.651 1.00 0.00 C ATOM 0 H ALA A 24 -5.738 -8.869 1.343 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.344 -7.507 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.407 -5.924 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.797 -7.571 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.057 -6.895 0.630 1.00 0.00 H new ATOM 325 N GLU A 25 -5.843 -5.411 3.135 1.00 0.00 N ATOM 326 CA GLU A 25 -6.948 -4.472 3.227 1.00 0.00 C ATOM 327 C GLU A 25 -6.529 -3.103 2.689 1.00 0.00 C ATOM 328 O GLU A 25 -5.434 -2.626 2.982 1.00 0.00 O ATOM 329 CB GLU A 25 -7.457 -4.364 4.666 1.00 0.00 C ATOM 330 CG GLU A 25 -8.410 -5.513 4.999 1.00 0.00 C ATOM 331 CD GLU A 25 -9.327 -5.143 6.167 1.00 0.00 C ATOM 332 OE1 GLU A 25 -10.242 -4.324 5.933 1.00 0.00 O ATOM 333 OE2 GLU A 25 -9.092 -5.688 7.267 1.00 0.00 O ATOM 0 H GLU A 25 -4.957 -5.065 3.504 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.768 -4.845 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.613 -4.376 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.968 -3.411 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.011 -5.757 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.836 -6.405 5.251 1.00 0.00 H new ATOM 340 N SER A 26 -7.422 -2.509 1.910 1.00 0.00 N ATOM 341 CA SER A 26 -7.158 -1.204 1.329 1.00 0.00 C ATOM 342 C SER A 26 -6.863 -0.189 2.434 1.00 0.00 C ATOM 343 O SER A 26 -7.471 -0.235 3.502 1.00 0.00 O ATOM 344 CB SER A 26 -8.337 -0.733 0.475 1.00 0.00 C ATOM 345 OG SER A 26 -9.564 -0.762 1.198 1.00 0.00 O ATOM 0 H SER A 26 -8.329 -2.908 1.668 1.00 0.00 H new ATOM 0 HA SER A 26 -6.286 -1.288 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.147 0.281 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.421 -1.367 -0.408 1.00 0.00 H new ATOM 0 HG SER A 26 -10.292 -0.453 0.619 1.00 0.00 H new ATOM 351 N TRP A 27 -5.930 0.705 2.139 1.00 0.00 N ATOM 352 CA TRP A 27 -5.548 1.731 3.095 1.00 0.00 C ATOM 353 C TRP A 27 -5.454 1.079 4.475 1.00 0.00 C ATOM 354 O TRP A 27 -5.950 1.625 5.459 1.00 0.00 O ATOM 355 CB TRP A 27 -6.523 2.909 3.055 1.00 0.00 C ATOM 356 CG TRP A 27 -6.977 3.293 1.645 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.097 2.923 1.009 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.272 4.145 0.718 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.165 3.470 -0.256 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.020 4.237 -0.439 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.043 4.815 0.851 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.623 4.990 -1.550 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -4.661 5.563 -0.269 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.402 5.666 -1.440 1.00 0.00 C ATOM 0 H TRP A 27 -5.428 0.740 1.252 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.575 2.151 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.400 2.662 3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.052 3.774 3.522 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.852 2.278 1.433 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.917 3.336 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.441 4.757 1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.226 5.047 -2.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.724 6.098 -0.219 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.038 6.265 -2.262 1.00 0.00 H new ATOM 375 N LYS A 28 -4.813 -0.081 4.505 1.00 0.00 N ATOM 376 CA LYS A 28 -4.647 -0.813 5.749 1.00 0.00 C ATOM 377 C LYS A 28 -3.280 -1.500 5.754 1.00 0.00 C ATOM 378 O LYS A 28 -2.416 -1.164 6.562 1.00 0.00 O ATOM 379 CB LYS A 28 -5.819 -1.773 5.965 1.00 0.00 C ATOM 380 CG LYS A 28 -6.938 -1.102 6.763 1.00 0.00 C ATOM 381 CD LYS A 28 -7.651 -2.112 7.665 1.00 0.00 C ATOM 382 CE LYS A 28 -8.037 -1.477 9.002 1.00 0.00 C ATOM 383 NZ LYS A 28 -6.860 -1.389 9.894 1.00 0.00 N ATOM 0 H LYS A 28 -4.403 -0.532 3.687 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.663 -0.130 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.204 -2.105 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.473 -2.661 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.524 -0.296 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.656 -0.650 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.544 -2.485 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.002 -2.970 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.448 -0.482 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.819 -2.068 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.140 -0.956 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.485 -2.343 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.126 -0.806 9.443 1.00 0.00 H new ATOM 397 N THR A 29 -3.127 -2.449 4.842 1.00 0.00 N ATOM 398 CA THR A 29 -1.880 -3.185 4.730 1.00 0.00 C ATOM 399 C THR A 29 -1.050 -2.656 3.559 1.00 0.00 C ATOM 400 O THR A 29 -1.602 -2.201 2.558 1.00 0.00 O ATOM 401 CB THR A 29 -2.218 -4.673 4.612 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.892 -4.974 5.830 1.00 0.00 O ATOM 403 CG2 THR A 29 -0.973 -5.561 4.646 1.00 0.00 C ATOM 0 H THR A 29 -3.847 -2.725 4.174 1.00 0.00 H new ATOM 0 HA THR A 29 -1.259 -3.047 5.615 1.00 0.00 H new ATOM 0 HB THR A 29 -2.763 -4.848 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.149 -5.920 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.269 -6.606 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.317 -5.299 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.445 -5.411 5.587 1.00 0.00 H new ATOM 411 N THR A 30 0.263 -2.732 3.723 1.00 0.00 N ATOM 412 CA THR A 30 1.174 -2.266 2.692 1.00 0.00 C ATOM 413 C THR A 30 2.046 -3.418 2.190 1.00 0.00 C ATOM 414 O THR A 30 1.987 -4.524 2.725 1.00 0.00 O ATOM 415 CB THR A 30 1.980 -1.099 3.266 1.00 0.00 C ATOM 416 OG1 THR A 30 3.151 -1.714 3.797 1.00 0.00 O ATOM 417 CG2 THR A 30 1.306 -0.465 4.485 1.00 0.00 C ATOM 0 H THR A 30 0.717 -3.109 4.555 1.00 0.00 H new ATOM 0 HA THR A 30 0.631 -1.906 1.818 1.00 0.00 H new ATOM 0 HB THR A 30 2.121 -0.342 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.929 -1.145 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.919 0.358 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.324 -0.087 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.195 -1.214 5.269 1.00 0.00 H new ATOM 425 N PRO A 31 2.856 -3.112 1.142 1.00 0.00 N ATOM 426 CA PRO A 31 3.739 -4.109 0.562 1.00 0.00 C ATOM 427 C PRO A 31 4.947 -4.363 1.465 1.00 0.00 C ATOM 428 O PRO A 31 5.604 -5.397 1.353 1.00 0.00 O ATOM 429 CB PRO A 31 4.123 -3.551 -0.799 1.00 0.00 C ATOM 430 CG PRO A 31 3.819 -2.063 -0.741 1.00 0.00 C ATOM 431 CD PRO A 31 2.952 -1.812 0.483 1.00 0.00 C ATOM 0 HA PRO A 31 3.262 -5.083 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.178 -3.726 -1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.555 -4.035 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.742 -1.487 -0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.303 -1.743 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.401 -1.067 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.968 -1.437 0.201 1.00 0.00 H new ATOM 439 N TYR A 32 5.204 -3.403 2.341 1.00 0.00 N ATOM 440 CA TYR A 32 6.322 -3.509 3.263 1.00 0.00 C ATOM 441 C TYR A 32 6.023 -4.521 4.372 1.00 0.00 C ATOM 442 O TYR A 32 6.924 -5.209 4.849 1.00 0.00 O ATOM 443 CB TYR A 32 6.488 -2.122 3.887 1.00 0.00 C ATOM 444 CG TYR A 32 7.877 -1.867 4.477 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.999 -2.011 3.686 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.007 -1.494 5.799 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.306 -1.771 4.241 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.314 -1.254 6.354 1.00 0.00 C ATOM 449 CZ TYR A 32 10.399 -1.405 5.548 1.00 0.00 C ATOM 450 OH TYR A 32 11.633 -1.178 6.072 1.00 0.00 O ATOM 0 H TYR A 32 4.657 -2.547 2.432 1.00 0.00 H new ATOM 0 HA TYR A 32 7.219 -3.843 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.282 -1.367 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.742 -1.996 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.897 -2.304 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.129 -1.382 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.192 -1.879 3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.430 -0.961 7.387 1.00 0.00 H new ATOM 0 HH TYR A 32 11.546 -0.923 7.014 1.00 0.00 H new ATOM 460 N GLN A 33 4.754 -4.580 4.749 1.00 0.00 N ATOM 461 CA GLN A 33 4.325 -5.496 5.792 1.00 0.00 C ATOM 462 C GLN A 33 4.214 -6.917 5.237 1.00 0.00 C ATOM 463 O GLN A 33 4.799 -7.850 5.787 1.00 0.00 O ATOM 464 CB GLN A 33 3.001 -5.042 6.410 1.00 0.00 C ATOM 465 CG GLN A 33 3.241 -4.120 7.606 1.00 0.00 C ATOM 466 CD GLN A 33 1.961 -3.376 7.991 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.721 -2.294 7.256 1.00 0.00 O flip ATOM 468 NE2 GLN A 33 1.238 -3.760 8.896 1.00 0.00 N flip ATOM 0 H GLN A 33 4.009 -4.008 4.351 1.00 0.00 H new ATOM 0 HA GLN A 33 5.076 -5.494 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.405 -4.522 5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.426 -5.912 6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.595 -4.705 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.025 -3.402 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.481 -4.600 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.391 -3.241 9.127 1.00 0.00 H new ATOM 477 N ILE A 34 3.458 -7.038 4.156 1.00 0.00 N ATOM 478 CA ILE A 34 3.262 -8.330 3.520 1.00 0.00 C ATOM 479 C ILE A 34 4.584 -9.100 3.522 1.00 0.00 C ATOM 480 O ILE A 34 4.639 -10.247 3.964 1.00 0.00 O ATOM 481 CB ILE A 34 2.653 -8.156 2.128 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.259 -7.531 2.213 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.641 -9.482 1.364 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.297 -8.201 1.230 1.00 0.00 C ATOM 0 H ILE A 34 2.974 -6.262 3.704 1.00 0.00 H new ATOM 0 HA ILE A 34 2.544 -8.927 4.083 1.00 0.00 H new ATOM 0 HB ILE A 34 3.281 -7.466 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.874 -7.629 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.321 -6.464 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.203 -9.330 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.662 -9.848 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.050 -10.214 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.687 -7.738 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.673 -8.080 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.219 -9.263 1.464 1.00 0.00 H new ATOM 663 N ILE A 48 11.896 -1.488 -4.587 1.00 0.00 N ATOM 664 CA ILE A 48 10.610 -0.856 -4.832 1.00 0.00 C ATOM 665 C ILE A 48 9.561 -1.935 -5.108 1.00 0.00 C ATOM 666 O ILE A 48 9.796 -2.846 -5.901 1.00 0.00 O ATOM 667 CB ILE A 48 10.729 0.186 -5.946 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.467 1.433 -5.454 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.355 0.526 -6.527 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.704 2.108 -4.313 1.00 0.00 C ATOM 0 HA ILE A 48 10.280 -0.308 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 48 11.323 -0.243 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.466 1.159 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.591 2.135 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.468 1.269 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.901 -0.375 -6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.716 0.927 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.250 2.991 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.714 2.403 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.603 1.411 -3.481 1.00 0.00 H new ATOM 682 N ALA A 49 8.426 -1.796 -4.438 1.00 0.00 N ATOM 683 CA ALA A 49 7.340 -2.748 -4.602 1.00 0.00 C ATOM 684 C ALA A 49 6.370 -2.230 -5.665 1.00 0.00 C ATOM 685 O ALA A 49 6.028 -1.048 -5.676 1.00 0.00 O ATOM 686 CB ALA A 49 6.657 -2.980 -3.253 1.00 0.00 C ATOM 0 H ALA A 49 8.235 -1.039 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 49 7.721 -3.710 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.842 -3.694 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.382 -3.375 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.259 -2.036 -2.879 1.00 0.00 H new ATOM 692 N LYS A 50 5.953 -3.139 -6.534 1.00 0.00 N ATOM 693 CA LYS A 50 5.029 -2.789 -7.599 1.00 0.00 C ATOM 694 C LYS A 50 3.610 -3.190 -7.189 1.00 0.00 C ATOM 695 O LYS A 50 3.412 -4.227 -6.559 1.00 0.00 O ATOM 696 CB LYS A 50 5.482 -3.403 -8.925 1.00 0.00 C ATOM 697 CG LYS A 50 6.573 -2.552 -9.578 1.00 0.00 C ATOM 698 CD LYS A 50 6.910 -3.072 -10.977 1.00 0.00 C ATOM 699 CE LYS A 50 7.630 -2.003 -11.801 1.00 0.00 C ATOM 700 NZ LYS A 50 9.036 -2.396 -12.044 1.00 0.00 N ATOM 0 H LYS A 50 6.238 -4.118 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 50 5.023 -1.711 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.857 -4.412 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.630 -3.489 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.242 -1.516 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.468 -2.563 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.538 -3.959 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.995 -3.374 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.116 -1.861 -12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.599 -1.048 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.666 -1.613 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.265 -3.236 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.166 -2.616 -13.052 1.00 0.00 H new ATOM 714 N VAL A 51 2.660 -2.346 -7.563 1.00 0.00 N ATOM 715 CA VAL A 51 1.265 -2.599 -7.242 1.00 0.00 C ATOM 716 C VAL A 51 0.421 -2.456 -8.510 1.00 0.00 C ATOM 717 O VAL A 51 0.079 -1.345 -8.911 1.00 0.00 O ATOM 718 CB VAL A 51 0.811 -1.670 -6.114 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.711 -1.700 -5.959 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.504 -2.027 -4.798 1.00 0.00 C ATOM 0 H VAL A 51 2.828 -1.486 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 51 1.135 -3.618 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 51 1.101 -0.653 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.008 -1.031 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.178 -1.375 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.033 -2.715 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.164 -1.352 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.260 -3.054 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.583 -1.930 -4.917 1.00 0.00 H new ATOM 730 N ASN A 52 0.109 -3.598 -9.107 1.00 0.00 N ATOM 731 CA ASN A 52 -0.689 -3.615 -10.321 1.00 0.00 C ATOM 732 C ASN A 52 0.216 -3.340 -11.524 1.00 0.00 C ATOM 733 O ASN A 52 -0.254 -2.889 -12.568 1.00 0.00 O ATOM 734 CB ASN A 52 -1.769 -2.532 -10.285 1.00 0.00 C ATOM 735 CG ASN A 52 -2.958 -2.914 -11.169 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.028 -2.575 -12.339 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.885 -3.636 -10.548 1.00 0.00 N ATOM 0 H ASN A 52 0.395 -4.518 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.162 -4.594 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.107 -2.384 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.350 -1.584 -10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.717 -3.941 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.764 -3.886 -9.566 1.00 0.00 H new ATOM 744 N ASN A 53 1.497 -3.623 -11.338 1.00 0.00 N ATOM 745 CA ASN A 53 2.471 -3.412 -12.395 1.00 0.00 C ATOM 746 C ASN A 53 2.891 -1.941 -12.409 1.00 0.00 C ATOM 747 O ASN A 53 3.391 -1.444 -13.417 1.00 0.00 O ATOM 748 CB ASN A 53 1.879 -3.748 -13.765 1.00 0.00 C ATOM 749 CG ASN A 53 2.978 -4.121 -14.761 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.064 -4.542 -14.398 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.638 -3.942 -16.034 1.00 0.00 N ATOM 0 H ASN A 53 1.883 -3.997 -10.471 1.00 0.00 H new ATOM 0 HA ASN A 53 3.324 -4.062 -12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.175 -4.575 -13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.317 -2.893 -14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.304 -4.161 -16.775 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.712 -3.586 -16.269 1.00 0.00 H new ATOM 758 N VAL A 54 2.672 -1.284 -11.279 1.00 0.00 N ATOM 759 CA VAL A 54 3.021 0.120 -11.149 1.00 0.00 C ATOM 760 C VAL A 54 3.811 0.327 -9.856 1.00 0.00 C ATOM 761 O VAL A 54 3.441 -0.199 -8.807 1.00 0.00 O ATOM 762 CB VAL A 54 1.759 0.982 -11.224 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.634 0.245 -11.953 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.312 1.422 -9.828 1.00 0.00 C ATOM 0 H VAL A 54 2.257 -1.699 -10.445 1.00 0.00 H new ATOM 0 HA VAL A 54 3.661 0.433 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 54 1.999 1.878 -11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.251 0.880 -11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.954 0.005 -12.967 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.397 -0.676 -11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.413 2.033 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.099 0.543 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.105 2.004 -9.359 1.00 0.00 H new ATOM 774 N VAL A 55 4.884 1.095 -9.972 1.00 0.00 N ATOM 775 CA VAL A 55 5.729 1.378 -8.824 1.00 0.00 C ATOM 776 C VAL A 55 4.854 1.806 -7.644 1.00 0.00 C ATOM 777 O VAL A 55 4.015 2.695 -7.780 1.00 0.00 O ATOM 778 CB VAL A 55 6.784 2.423 -9.196 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.470 2.978 -7.946 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.809 1.844 -10.173 1.00 0.00 C ATOM 0 H VAL A 55 5.188 1.530 -10.843 1.00 0.00 H new ATOM 0 HA VAL A 55 6.270 0.483 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 55 6.276 3.249 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.215 3.718 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.727 3.446 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.958 2.165 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.547 2.607 -10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.309 0.992 -9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.302 1.520 -11.082 1.00 0.00 H new ATOM 790 N TRP A 56 5.079 1.152 -6.514 1.00 0.00 N ATOM 791 CA TRP A 56 4.322 1.453 -5.312 1.00 0.00 C ATOM 792 C TRP A 56 5.315 1.656 -4.166 1.00 0.00 C ATOM 793 O TRP A 56 6.387 1.054 -4.155 1.00 0.00 O ATOM 794 CB TRP A 56 3.292 0.359 -5.024 1.00 0.00 C ATOM 795 CG TRP A 56 2.014 0.867 -4.353 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.718 0.882 -3.046 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.865 1.438 -5.014 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.467 1.418 -2.817 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.068 1.767 -4.052 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.622 1.668 -6.379 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.307 2.345 -4.352 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.621 2.247 -6.662 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.571 2.584 -5.706 1.00 0.00 C ATOM 0 H TRP A 56 5.775 0.414 -6.406 1.00 0.00 H new ATOM 0 HA TRP A 56 3.745 2.369 -5.439 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.028 -0.132 -5.960 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.749 -0.397 -4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.376 0.520 -2.270 1.00 0.00 H new ATOM 0 HE1 TRP A 56 0.018 1.536 -1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.337 1.418 -7.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.021 2.593 -3.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.858 2.446 -7.697 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.509 3.028 -6.006 1.00 0.00 H new ATOM 814 N ASP A 57 4.922 2.507 -3.229 1.00 0.00 N ATOM 815 CA ASP A 57 5.764 2.797 -2.081 1.00 0.00 C ATOM 816 C ASP A 57 5.506 1.758 -0.988 1.00 0.00 C ATOM 817 O ASP A 57 4.396 1.241 -0.868 1.00 0.00 O ATOM 818 CB ASP A 57 5.451 4.179 -1.503 1.00 0.00 C ATOM 819 CG ASP A 57 5.465 5.323 -2.518 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.540 5.535 -3.120 1.00 0.00 O ATOM 821 OD2 ASP A 57 4.401 5.961 -2.670 1.00 0.00 O ATOM 0 H ASP A 57 4.032 3.005 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 57 6.803 2.770 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.469 4.145 -1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.175 4.400 -0.719 1.00 0.00 H new ATOM 826 N LEU A 58 6.549 1.482 -0.220 1.00 0.00 N ATOM 827 CA LEU A 58 6.449 0.514 0.859 1.00 0.00 C ATOM 828 C LEU A 58 5.716 1.149 2.042 1.00 0.00 C ATOM 829 O LEU A 58 5.087 0.449 2.835 1.00 0.00 O ATOM 830 CB LEU A 58 7.832 -0.036 1.215 1.00 0.00 C ATOM 831 CG LEU A 58 8.750 -0.359 0.035 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.165 0.169 0.280 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.743 -1.858 -0.271 1.00 0.00 C ATOM 0 H LEU A 58 7.468 1.912 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 58 5.860 -0.348 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.336 0.689 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.699 -0.943 1.805 1.00 0.00 H new ATOM 0 HG LEU A 58 8.364 0.152 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.797 -0.074 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.132 1.251 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.575 -0.293 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.404 -2.060 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.090 -2.409 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.730 -2.174 -0.520 1.00 0.00 H new ATOM 845 N ASP A 59 5.822 2.467 2.125 1.00 0.00 N ATOM 846 CA ASP A 59 5.177 3.204 3.198 1.00 0.00 C ATOM 847 C ASP A 59 3.741 3.540 2.788 1.00 0.00 C ATOM 848 O ASP A 59 2.980 4.093 3.581 1.00 0.00 O ATOM 849 CB ASP A 59 5.908 4.517 3.481 1.00 0.00 C ATOM 850 CG ASP A 59 6.077 4.857 4.963 1.00 0.00 C ATOM 851 OD1 ASP A 59 6.798 4.094 5.641 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.481 5.871 5.385 1.00 0.00 O ATOM 0 H ASP A 59 6.345 3.044 1.466 1.00 0.00 H new ATOM 0 HA ASP A 59 5.195 2.582 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.894 4.473 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.365 5.329 2.997 1.00 0.00 H new ATOM 857 N ARG A 60 3.415 3.193 1.552 1.00 0.00 N ATOM 858 CA ARG A 60 2.085 3.452 1.028 1.00 0.00 C ATOM 859 C ARG A 60 1.279 2.153 0.961 1.00 0.00 C ATOM 860 O ARG A 60 1.717 1.177 0.352 1.00 0.00 O ATOM 861 CB ARG A 60 2.154 4.073 -0.368 1.00 0.00 C ATOM 862 CG ARG A 60 0.758 4.438 -0.876 1.00 0.00 C ATOM 863 CD ARG A 60 0.833 5.509 -1.966 1.00 0.00 C ATOM 864 NE ARG A 60 -0.275 6.476 -1.803 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.634 7.371 -2.733 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.025 7.427 -3.899 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.652 8.210 -2.498 1.00 0.00 N ATOM 0 H ARG A 60 4.049 2.734 0.898 1.00 0.00 H new ATOM 0 HA ARG A 60 1.594 4.154 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.780 4.965 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.624 3.373 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.266 3.548 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.149 4.799 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.790 6.028 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.778 5.043 -2.950 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.798 6.460 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.800 6.788 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.248 8.108 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.154 8.167 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.925 8.891 -3.206 1.00 0.00 H new ATOM 881 N PRO A 61 0.086 2.182 1.612 1.00 0.00 N ATOM 882 CA PRO A 61 -0.785 1.019 1.632 1.00 0.00 C ATOM 883 C PRO A 61 -1.485 0.836 0.284 1.00 0.00 C ATOM 884 O PRO A 61 -1.787 1.812 -0.401 1.00 0.00 O ATOM 885 CB PRO A 61 -1.754 1.273 2.775 1.00 0.00 C ATOM 886 CG PRO A 61 -1.690 2.766 3.052 1.00 0.00 C ATOM 887 CD PRO A 61 -0.465 3.320 2.343 1.00 0.00 C ATOM 0 HA PRO A 61 -0.241 0.088 1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.765 0.969 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.474 0.700 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.594 3.260 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.628 2.953 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.732 4.133 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.257 3.721 3.054 1.00 0.00 H new ATOM 895 N LEU A 62 -1.724 -0.422 -0.056 1.00 0.00 N ATOM 896 CA LEU A 62 -2.383 -0.747 -1.310 1.00 0.00 C ATOM 897 C LEU A 62 -3.701 0.025 -1.403 1.00 0.00 C ATOM 898 O LEU A 62 -4.120 0.663 -0.438 1.00 0.00 O ATOM 899 CB LEU A 62 -2.546 -2.261 -1.453 1.00 0.00 C ATOM 900 CG LEU A 62 -1.306 -3.102 -1.144 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.025 -2.312 -1.421 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.350 -3.638 0.288 1.00 0.00 C ATOM 0 H LEU A 62 -1.473 -1.229 0.515 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.769 -0.435 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.352 -2.583 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.862 -2.477 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.303 -3.964 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.842 -2.933 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.003 -2.021 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.006 -1.419 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.457 -4.232 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.389 -2.803 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.235 -4.261 0.416 1.00 0.00 H new ATOM 914 N GLU A 63 -4.317 -0.057 -2.573 1.00 0.00 N ATOM 915 CA GLU A 63 -5.578 0.626 -2.804 1.00 0.00 C ATOM 916 C GLU A 63 -6.710 -0.391 -2.965 1.00 0.00 C ATOM 917 O GLU A 63 -7.825 -0.163 -2.497 1.00 0.00 O ATOM 918 CB GLU A 63 -5.488 1.544 -4.025 1.00 0.00 C ATOM 919 CG GLU A 63 -4.924 2.913 -3.640 1.00 0.00 C ATOM 920 CD GLU A 63 -5.820 4.041 -4.158 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.041 3.794 -4.258 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.263 5.123 -4.441 1.00 0.00 O ATOM 0 H GLU A 63 -3.966 -0.586 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.796 1.249 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.854 1.085 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.477 1.665 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.836 2.982 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.920 3.025 -4.049 1.00 0.00 H new ATOM 929 N GLU A 64 -6.386 -1.490 -3.629 1.00 0.00 N ATOM 930 CA GLU A 64 -7.362 -2.542 -3.857 1.00 0.00 C ATOM 931 C GLU A 64 -6.676 -3.791 -4.414 1.00 0.00 C ATOM 932 O GLU A 64 -5.451 -3.834 -4.524 1.00 0.00 O ATOM 933 CB GLU A 64 -8.474 -2.064 -4.792 1.00 0.00 C ATOM 934 CG GLU A 64 -7.925 -1.764 -6.189 1.00 0.00 C ATOM 935 CD GLU A 64 -8.312 -0.353 -6.638 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.504 -0.169 -6.965 1.00 0.00 O ATOM 937 OE2 GLU A 64 -7.407 0.509 -6.643 1.00 0.00 O ATOM 0 H GLU A 64 -5.461 -1.675 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.821 -2.799 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.251 -2.826 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.940 -1.169 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.840 -1.864 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.311 -2.495 -6.900 1.00 0.00 H new ATOM 944 N ASP A 65 -7.494 -4.777 -4.751 1.00 0.00 N ATOM 945 CA ASP A 65 -6.982 -6.023 -5.294 1.00 0.00 C ATOM 946 C ASP A 65 -5.984 -5.715 -6.413 1.00 0.00 C ATOM 947 O ASP A 65 -6.368 -5.229 -7.475 1.00 0.00 O ATOM 948 CB ASP A 65 -8.109 -6.871 -5.887 1.00 0.00 C ATOM 949 CG ASP A 65 -9.415 -6.858 -5.090 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.353 -7.216 -3.894 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.446 -6.491 -5.695 1.00 0.00 O ATOM 0 H ASP A 65 -8.509 -4.738 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.506 -6.573 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.314 -6.520 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.763 -7.901 -5.972 1.00 0.00 H new ATOM 956 N CYS A 66 -4.723 -6.010 -6.135 1.00 0.00 N ATOM 957 CA CYS A 66 -3.667 -5.771 -7.104 1.00 0.00 C ATOM 958 C CYS A 66 -2.544 -6.778 -6.850 1.00 0.00 C ATOM 959 O CYS A 66 -2.631 -7.591 -5.931 1.00 0.00 O ATOM 960 CB CYS A 66 -3.163 -4.327 -7.046 1.00 0.00 C ATOM 961 SG CYS A 66 -2.770 -3.870 -5.318 1.00 0.00 S ATOM 0 H CYS A 66 -4.408 -6.413 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.057 -5.911 -8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.276 -4.217 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.920 -3.653 -7.446 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.874 -3.703 -4.652 1.00 0.00 H new ATOM 967 N THR A 67 -1.515 -6.692 -7.681 1.00 0.00 N ATOM 968 CA THR A 67 -0.377 -7.586 -7.557 1.00 0.00 C ATOM 969 C THR A 67 0.730 -6.928 -6.731 1.00 0.00 C ATOM 970 O THR A 67 0.690 -5.725 -6.478 1.00 0.00 O ATOM 971 CB THR A 67 0.070 -7.980 -8.967 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.018 -6.767 -9.710 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.926 -8.914 -9.657 1.00 0.00 C ATOM 0 H THR A 67 -1.446 -6.017 -8.442 1.00 0.00 H new ATOM 0 HA THR A 67 -0.645 -8.495 -7.019 1.00 0.00 H new ATOM 0 HB THR A 67 1.046 -8.464 -8.917 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.256 -6.930 -10.637 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.561 -9.163 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.034 -9.827 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.893 -8.418 -9.738 1.00 0.00 H new ATOM 981 N LEU A 68 1.693 -7.747 -6.332 1.00 0.00 N ATOM 982 CA LEU A 68 2.809 -7.261 -5.539 1.00 0.00 C ATOM 983 C LEU A 68 4.106 -7.886 -6.055 1.00 0.00 C ATOM 984 O LEU A 68 4.240 -9.108 -6.090 1.00 0.00 O ATOM 985 CB LEU A 68 2.556 -7.508 -4.051 1.00 0.00 C ATOM 986 CG LEU A 68 3.710 -7.159 -3.108 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.126 -5.696 -3.269 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.355 -7.497 -1.658 1.00 0.00 C ATOM 0 H LEU A 68 1.723 -8.744 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 68 2.911 -6.181 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.681 -6.932 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.307 -8.560 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 68 4.570 -7.771 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.947 -5.474 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.448 -5.520 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.279 -5.049 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.192 -7.239 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.474 -6.929 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.146 -8.563 -1.574 1.00 0.00 H new ATOM 1000 N GLU A 69 5.030 -7.019 -6.443 1.00 0.00 N ATOM 1001 CA GLU A 69 6.312 -7.470 -6.956 1.00 0.00 C ATOM 1002 C GLU A 69 7.448 -6.646 -6.346 1.00 0.00 C ATOM 1003 O GLU A 69 7.510 -5.433 -6.535 1.00 0.00 O ATOM 1004 CB GLU A 69 6.346 -7.404 -8.484 1.00 0.00 C ATOM 1005 CG GLU A 69 7.650 -7.990 -9.029 1.00 0.00 C ATOM 1006 CD GLU A 69 7.642 -8.014 -10.559 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.587 -8.387 -11.116 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.692 -7.659 -11.138 1.00 0.00 O ATOM 0 H GLU A 69 4.916 -6.006 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 69 6.450 -8.512 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.498 -7.952 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.244 -6.369 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.495 -7.399 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.786 -9.001 -8.646 1.00 0.00 H new ATOM 1015 N LEU A 70 8.318 -7.339 -5.626 1.00 0.00 N ATOM 1016 CA LEU A 70 9.448 -6.686 -4.987 1.00 0.00 C ATOM 1017 C LEU A 70 10.599 -6.573 -5.989 1.00 0.00 C ATOM 1018 O LEU A 70 10.980 -7.560 -6.617 1.00 0.00 O ATOM 1019 CB LEU A 70 9.827 -7.414 -3.695 1.00 0.00 C ATOM 1020 CG LEU A 70 8.753 -7.449 -2.606 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.836 -6.227 -2.700 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.966 -8.760 -2.654 1.00 0.00 C ATOM 0 H LEU A 70 8.263 -8.346 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 70 9.183 -5.672 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.096 -8.440 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.719 -6.942 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 70 9.249 -7.406 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.082 -6.277 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.426 -5.319 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.346 -6.214 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.209 -8.759 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.482 -8.858 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.646 -9.598 -2.501 1.00 0.00 H new ATOM 1034 N LEU A 71 11.122 -5.361 -6.107 1.00 0.00 N ATOM 1035 CA LEU A 71 12.222 -5.106 -7.021 1.00 0.00 C ATOM 1036 C LEU A 71 13.548 -5.290 -6.281 1.00 0.00 C ATOM 1037 O LEU A 71 13.691 -4.856 -5.139 1.00 0.00 O ATOM 1038 CB LEU A 71 12.068 -3.731 -7.674 1.00 0.00 C ATOM 1039 CG LEU A 71 11.098 -3.655 -8.855 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.924 -4.617 -8.664 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.629 -2.217 -9.087 1.00 0.00 C ATOM 0 H LEU A 71 10.804 -4.545 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 71 12.211 -5.825 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.739 -3.024 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.049 -3.400 -8.013 1.00 0.00 H new ATOM 0 HG LEU A 71 11.629 -3.970 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.250 -4.543 -9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.299 -5.637 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.385 -4.357 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.941 -2.191 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.122 -1.851 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.490 -1.583 -9.301 1.00 0.00 H new