USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1006 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 45 MET CE :methyl 164:sc= -2.82 (180deg=-3.74!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.23 K(o=-8.4,f=-15!) USER MOD Set 1.3: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: B 45 MET CE :methyl 142:sc= -3.96 (180deg=-3.95!) USER MOD Set 1.5: B 49 GLN : amide:sc= -1.81 K(o=-8.4,f=-15!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 159:sc= 0.719 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.11) USER MOD Single : A 23 THR OG1 : rot -81:sc= -0.489 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -65:sc= 0.251 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 MET CE :methyl 159:sc= -1.5 (180deg=-3.25!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.54 F(o=-2.2,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -7.36! (180deg=-8.94!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00363 X(o=-0.0036,f=-0.39) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0188 (180deg=-0.204) USER MOD Single : A 66 SER OG : rot -43:sc= 1.18 USER MOD Single : B 9 LYS NZ :NH3+ 177:sc= -0.731 (180deg=-0.739) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 179:sc= 1.13 USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.5) USER MOD Single : B 23 THR OG1 : rot -98:sc= -0.88 USER MOD Single : B 25 LYS NZ :NH3+ 178:sc= -0.767 (180deg=-0.78) USER MOD Single : B 28 SER OG : rot 60:sc= 0.41 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : B 35 MET CE :methyl 157:sc= -4.11! (180deg=-4.87!) USER MOD Single : B 36 THR OG1 : rot 72:sc= 1.26 USER MOD Single : B 50 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : B 51 LYS NZ :NH3+ -161:sc= -2.96! (180deg=-3.95!) USER MOD Single : B 53 LYS NZ :NH3+ 178:sc= -0.203 (180deg=-0.212) USER MOD Single : B 56 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot -42:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 2.165 10.358 -13.882 1.00 0.00 N ATOM 136 CA LYS A 9 1.794 9.063 -13.326 1.00 0.00 C ATOM 137 C LYS A 9 1.502 8.067 -14.441 1.00 0.00 C ATOM 138 O LYS A 9 0.755 8.368 -15.372 1.00 0.00 O ATOM 139 CB LYS A 9 0.573 9.207 -12.428 1.00 0.00 C ATOM 140 CG LYS A 9 -0.616 9.740 -13.174 1.00 0.00 C ATOM 141 CD LYS A 9 -1.554 10.521 -12.265 1.00 0.00 C ATOM 142 CE LYS A 9 -2.001 11.823 -12.911 1.00 0.00 C ATOM 143 NZ LYS A 9 -2.800 12.661 -11.975 1.00 0.00 N ATOM 0 HA LYS A 9 2.630 8.691 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.325 8.238 -11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.810 9.874 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.277 10.384 -13.985 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.159 8.912 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.427 9.911 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.053 10.735 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.127 12.383 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.595 11.603 -13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.086 13.539 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.648 12.137 -11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.225 12.893 -11.140 1.00 0.00 H new ATOM 157 N LYS A 10 2.090 6.879 -14.346 1.00 0.00 N ATOM 158 CA LYS A 10 1.883 5.851 -15.350 1.00 0.00 C ATOM 159 C LYS A 10 1.163 4.657 -14.740 1.00 0.00 C ATOM 160 O LYS A 10 1.529 4.188 -13.667 1.00 0.00 O ATOM 161 CB LYS A 10 3.224 5.413 -15.942 1.00 0.00 C ATOM 162 CG LYS A 10 4.001 6.539 -16.603 1.00 0.00 C ATOM 163 CD LYS A 10 5.463 6.533 -16.176 1.00 0.00 C ATOM 164 CE LYS A 10 6.373 7.006 -17.298 1.00 0.00 C ATOM 165 NZ LYS A 10 7.694 6.319 -17.269 1.00 0.00 N ATOM 0 H LYS A 10 2.712 6.608 -13.584 1.00 0.00 H new ATOM 0 HA LYS A 10 1.265 6.262 -16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.835 4.978 -15.151 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.047 4.627 -16.676 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.937 6.440 -17.687 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.549 7.496 -16.343 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.592 7.177 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.750 5.526 -15.873 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.890 6.824 -18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.522 8.083 -17.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.285 6.670 -18.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.167 6.513 -16.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.554 5.294 -17.374 1.00 0.00 H new ATOM 179 N LYS A 11 0.136 4.159 -15.414 1.00 0.00 N ATOM 180 CA LYS A 11 -0.603 3.018 -14.895 1.00 0.00 C ATOM 181 C LYS A 11 0.318 1.813 -14.792 1.00 0.00 C ATOM 182 O LYS A 11 0.705 1.227 -15.804 1.00 0.00 O ATOM 183 CB LYS A 11 -1.797 2.692 -15.789 1.00 0.00 C ATOM 184 CG LYS A 11 -2.788 3.838 -15.923 1.00 0.00 C ATOM 185 CD LYS A 11 -3.889 3.748 -14.879 1.00 0.00 C ATOM 186 CE LYS A 11 -4.835 4.936 -14.961 1.00 0.00 C ATOM 187 NZ LYS A 11 -6.258 4.523 -14.814 1.00 0.00 N ATOM 0 H LYS A 11 -0.200 4.520 -16.307 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.979 3.270 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.434 2.419 -16.780 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.314 1.821 -15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.263 4.788 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.229 3.825 -16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.450 2.824 -15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.446 3.703 -13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.583 5.655 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.701 5.442 -15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.871 5.361 -14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.506 3.856 -15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.392 4.063 -13.891 1.00 0.00 H new ATOM 201 N THR A 12 0.679 1.458 -13.566 1.00 0.00 N ATOM 202 CA THR A 12 1.571 0.334 -13.340 1.00 0.00 C ATOM 203 C THR A 12 0.858 -0.813 -12.636 1.00 0.00 C ATOM 204 O THR A 12 -0.040 -0.592 -11.824 1.00 0.00 O ATOM 205 CB THR A 12 2.784 0.775 -12.520 1.00 0.00 C ATOM 206 OG1 THR A 12 3.192 2.080 -12.890 1.00 0.00 O ATOM 207 CG2 THR A 12 3.979 -0.141 -12.677 1.00 0.00 C ATOM 0 H THR A 12 0.368 1.931 -12.718 1.00 0.00 H new ATOM 0 HA THR A 12 1.905 -0.023 -14.314 1.00 0.00 H new ATOM 0 HB THR A 12 2.456 0.743 -11.481 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.717 2.477 -12.164 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.804 0.230 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.712 -1.147 -12.352 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.283 -0.167 -13.724 1.00 0.00 H new ATOM 215 N THR A 13 1.266 -2.040 -12.947 1.00 0.00 N ATOM 216 CA THR A 13 0.665 -3.215 -12.331 1.00 0.00 C ATOM 217 C THR A 13 1.583 -3.819 -11.285 1.00 0.00 C ATOM 218 O THR A 13 2.800 -3.879 -11.459 1.00 0.00 O ATOM 219 CB THR A 13 0.329 -4.281 -13.371 1.00 0.00 C ATOM 220 OG1 THR A 13 0.113 -3.701 -14.646 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.899 -5.086 -13.010 1.00 0.00 C ATOM 0 H THR A 13 2.006 -2.244 -13.618 1.00 0.00 H new ATOM 0 HA THR A 13 -0.256 -2.881 -11.852 1.00 0.00 H new ATOM 0 HB THR A 13 1.191 -4.947 -13.395 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.099 -4.405 -15.294 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.089 -5.828 -13.786 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.736 -5.590 -12.058 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.758 -4.421 -12.926 1.00 0.00 H new ATOM 229 N LEU A 14 0.979 -4.280 -10.204 1.00 0.00 N ATOM 230 CA LEU A 14 1.707 -4.905 -9.117 1.00 0.00 C ATOM 231 C LEU A 14 0.921 -6.112 -8.630 1.00 0.00 C ATOM 232 O LEU A 14 -0.270 -5.997 -8.339 1.00 0.00 O ATOM 233 CB LEU A 14 1.916 -3.909 -7.972 1.00 0.00 C ATOM 234 CG LEU A 14 2.288 -2.484 -8.406 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.461 -1.460 -7.647 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.774 -2.225 -8.200 1.00 0.00 C ATOM 0 H LEU A 14 -0.029 -4.231 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 14 2.687 -5.224 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.002 -3.864 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.701 -4.290 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 14 2.068 -2.387 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.740 -0.457 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.403 -1.625 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.647 -1.563 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.013 -1.209 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.022 -2.346 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.352 -2.934 -8.792 1.00 0.00 H new ATOM 248 N ALA A 15 1.562 -7.274 -8.558 1.00 0.00 N ATOM 249 CA ALA A 15 0.851 -8.464 -8.124 1.00 0.00 C ATOM 250 C ALA A 15 0.870 -8.597 -6.617 1.00 0.00 C ATOM 251 O ALA A 15 1.785 -9.176 -6.033 1.00 0.00 O ATOM 252 CB ALA A 15 1.439 -9.706 -8.778 1.00 0.00 C ATOM 0 H ALA A 15 2.546 -7.413 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.188 -8.365 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.894 -10.588 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.356 -9.620 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.489 -9.801 -8.501 1.00 0.00 H new ATOM 258 N PHE A 16 -0.184 -8.072 -6.007 1.00 0.00 N ATOM 259 CA PHE A 16 -0.376 -8.124 -4.576 1.00 0.00 C ATOM 260 C PHE A 16 -1.824 -7.861 -4.248 1.00 0.00 C ATOM 261 O PHE A 16 -2.618 -7.516 -5.116 1.00 0.00 O ATOM 262 CB PHE A 16 0.503 -7.118 -3.841 1.00 0.00 C ATOM 263 CG PHE A 16 1.971 -7.281 -4.120 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.549 -6.693 -5.236 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.772 -8.025 -3.269 1.00 0.00 C ATOM 266 CE1 PHE A 16 3.898 -6.847 -5.496 1.00 0.00 C ATOM 267 CE2 PHE A 16 4.122 -8.180 -3.525 1.00 0.00 C ATOM 268 CZ PHE A 16 4.685 -7.590 -4.639 1.00 0.00 C ATOM 0 H PHE A 16 -0.935 -7.594 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.088 -9.121 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.199 -6.110 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.333 -7.215 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.939 -6.109 -5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.337 -8.489 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.336 -6.386 -6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.736 -8.762 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.739 -7.710 -4.840 1.00 0.00 H new ATOM 278 N ASP A 17 -2.151 -8.006 -2.988 1.00 0.00 N ATOM 279 CA ASP A 17 -3.495 -7.770 -2.504 1.00 0.00 C ATOM 280 C ASP A 17 -3.692 -8.515 -1.223 1.00 0.00 C ATOM 281 O ASP A 17 -4.323 -8.027 -0.294 1.00 0.00 O ATOM 282 CB ASP A 17 -4.556 -8.202 -3.508 1.00 0.00 C ATOM 283 CG ASP A 17 -5.141 -7.030 -4.273 1.00 0.00 C ATOM 284 OD1 ASP A 17 -4.474 -5.976 -4.346 1.00 0.00 O ATOM 285 OD2 ASP A 17 -6.266 -7.166 -4.798 1.00 0.00 O ATOM 0 H ASP A 17 -1.492 -8.292 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.609 -6.697 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.119 -8.910 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.356 -8.726 -2.984 1.00 0.00 H new ATOM 290 N GLU A 18 -3.134 -9.701 -1.164 1.00 0.00 N ATOM 291 CA GLU A 18 -3.263 -10.485 0.035 1.00 0.00 C ATOM 292 C GLU A 18 -2.960 -9.605 1.248 1.00 0.00 C ATOM 293 O GLU A 18 -3.831 -9.343 2.085 1.00 0.00 O ATOM 294 CB GLU A 18 -2.325 -11.692 0.009 1.00 0.00 C ATOM 295 CG GLU A 18 -2.391 -12.543 1.267 1.00 0.00 C ATOM 296 CD GLU A 18 -1.024 -13.010 1.728 1.00 0.00 C ATOM 297 OE1 GLU A 18 -0.868 -14.221 1.991 1.00 0.00 O ATOM 298 OE2 GLU A 18 -0.109 -12.164 1.824 1.00 0.00 O ATOM 0 H GLU A 18 -2.598 -10.135 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.284 -10.860 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.570 -12.313 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.302 -11.343 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.863 -11.969 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.024 -13.411 1.081 1.00 0.00 H new ATOM 305 N ASP A 19 -1.724 -9.117 1.309 1.00 0.00 N ATOM 306 CA ASP A 19 -1.303 -8.249 2.400 1.00 0.00 C ATOM 307 C ASP A 19 -1.653 -6.795 2.123 1.00 0.00 C ATOM 308 O ASP A 19 -2.224 -6.118 2.978 1.00 0.00 O ATOM 309 CB ASP A 19 0.202 -8.394 2.645 1.00 0.00 C ATOM 310 CG ASP A 19 0.511 -8.996 4.002 1.00 0.00 C ATOM 311 OD1 ASP A 19 1.615 -8.741 4.527 1.00 0.00 O ATOM 312 OD2 ASP A 19 -0.351 -9.723 4.540 1.00 0.00 O ATOM 0 H ASP A 19 -1.000 -9.308 0.617 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.841 -8.557 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.636 -9.020 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.676 -7.415 2.568 1.00 0.00 H new ATOM 317 N VAL A 20 -1.307 -6.308 0.938 1.00 0.00 N ATOM 318 CA VAL A 20 -1.599 -4.926 0.593 1.00 0.00 C ATOM 319 C VAL A 20 -3.101 -4.660 0.635 1.00 0.00 C ATOM 320 O VAL A 20 -3.533 -3.661 1.200 1.00 0.00 O ATOM 321 CB VAL A 20 -1.025 -4.531 -0.785 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.449 -4.886 -0.867 1.00 0.00 C ATOM 323 CG2 VAL A 20 -1.791 -5.198 -1.908 1.00 0.00 C ATOM 0 H VAL A 20 -0.831 -6.841 0.211 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.108 -4.305 1.342 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.133 -3.452 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.838 -4.601 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.996 -4.352 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.573 -5.960 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.364 -4.901 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.724 -6.281 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.837 -4.893 -1.867 1.00 0.00 H new ATOM 333 N TYR A 21 -3.904 -5.560 0.063 1.00 0.00 N ATOM 334 CA TYR A 21 -5.353 -5.379 0.085 1.00 0.00 C ATOM 335 C TYR A 21 -5.865 -5.433 1.518 1.00 0.00 C ATOM 336 O TYR A 21 -6.655 -4.581 1.926 1.00 0.00 O ATOM 337 CB TYR A 21 -6.086 -6.414 -0.781 1.00 0.00 C ATOM 338 CG TYR A 21 -7.410 -5.919 -1.320 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.480 -5.258 -2.541 1.00 0.00 C ATOM 340 CD2 TYR A 21 -8.587 -6.112 -0.609 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.687 -4.804 -3.037 1.00 0.00 C ATOM 342 CE2 TYR A 21 -9.798 -5.661 -1.099 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.843 -5.008 -2.312 1.00 0.00 C ATOM 344 OH TYR A 21 -11.046 -4.558 -2.803 1.00 0.00 O ATOM 0 H TYR A 21 -3.582 -6.404 -0.411 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.563 -4.398 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.445 -6.697 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.256 -7.315 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.577 -5.097 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.556 -6.623 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.725 -4.292 -3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.705 -5.819 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.761 -4.783 -2.172 1.00 0.00 H new ATOM 354 N HIS A 22 -5.408 -6.419 2.299 1.00 0.00 N ATOM 355 CA HIS A 22 -5.842 -6.511 3.689 1.00 0.00 C ATOM 356 C HIS A 22 -5.373 -5.284 4.459 1.00 0.00 C ATOM 357 O HIS A 22 -6.157 -4.647 5.160 1.00 0.00 O ATOM 358 CB HIS A 22 -5.315 -7.787 4.347 1.00 0.00 C ATOM 359 CG HIS A 22 -6.324 -8.891 4.407 1.00 0.00 C ATOM 360 ND1 HIS A 22 -7.205 -9.163 3.381 1.00 0.00 N ATOM 361 CD2 HIS A 22 -6.591 -9.797 5.379 1.00 0.00 C ATOM 362 CE1 HIS A 22 -7.971 -10.185 3.721 1.00 0.00 C ATOM 363 NE2 HIS A 22 -7.618 -10.588 4.926 1.00 0.00 N ATOM 0 H HIS A 22 -4.756 -7.144 1.999 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.931 -6.551 3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.440 -8.135 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.983 -7.554 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.090 -9.881 6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.753 -10.617 3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.040 -11.362 5.439 1.00 0.00 H new ATOM 372 N THR A 23 -4.097 -4.940 4.310 1.00 0.00 N ATOM 373 CA THR A 23 -3.556 -3.768 4.984 1.00 0.00 C ATOM 374 C THR A 23 -4.275 -2.515 4.504 1.00 0.00 C ATOM 375 O THR A 23 -4.672 -1.671 5.301 1.00 0.00 O ATOM 376 CB THR A 23 -2.058 -3.629 4.740 1.00 0.00 C ATOM 377 OG1 THR A 23 -1.775 -3.603 3.352 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.242 -4.744 5.357 1.00 0.00 C ATOM 0 H THR A 23 -3.427 -5.450 3.735 1.00 0.00 H new ATOM 0 HA THR A 23 -3.715 -3.893 6.055 1.00 0.00 H new ATOM 0 HB THR A 23 -1.775 -2.691 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.761 -4.519 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.185 -4.582 5.145 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.398 -4.755 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.554 -5.700 4.936 1.00 0.00 H new ATOM 386 N LEU A 24 -4.471 -2.413 3.191 1.00 0.00 N ATOM 387 CA LEU A 24 -5.178 -1.273 2.620 1.00 0.00 C ATOM 388 C LEU A 24 -6.559 -1.149 3.257 1.00 0.00 C ATOM 389 O LEU A 24 -7.191 -0.096 3.193 1.00 0.00 O ATOM 390 CB LEU A 24 -5.310 -1.415 1.099 1.00 0.00 C ATOM 391 CG LEU A 24 -4.295 -0.613 0.274 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.190 0.815 0.783 1.00 0.00 C ATOM 393 CD2 LEU A 24 -2.930 -1.282 0.295 1.00 0.00 C ATOM 0 H LEU A 24 -4.152 -3.101 2.509 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.602 -0.371 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.212 -2.469 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.314 -1.107 0.808 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.650 -0.586 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.464 1.363 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.163 1.300 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.867 0.807 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.228 -0.695 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.573 -1.347 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.010 -2.284 -0.126 1.00 0.00 H new ATOM 405 N LYS A 25 -7.021 -2.238 3.871 1.00 0.00 N ATOM 406 CA LYS A 25 -8.321 -2.251 4.515 1.00 0.00 C ATOM 407 C LYS A 25 -8.347 -1.355 5.749 1.00 0.00 C ATOM 408 O LYS A 25 -9.273 -0.561 5.918 1.00 0.00 O ATOM 409 CB LYS A 25 -8.720 -3.677 4.897 1.00 0.00 C ATOM 410 CG LYS A 25 -10.200 -3.834 5.211 1.00 0.00 C ATOM 411 CD LYS A 25 -11.074 -3.303 4.084 1.00 0.00 C ATOM 412 CE LYS A 25 -11.750 -1.997 4.469 1.00 0.00 C ATOM 413 NZ LYS A 25 -12.748 -1.567 3.452 1.00 0.00 N ATOM 0 H LYS A 25 -6.510 -3.119 3.932 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.042 -1.859 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.457 -4.349 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.138 -3.987 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.426 -4.887 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.434 -3.304 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.466 -3.150 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.831 -4.044 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.243 -2.114 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.996 -1.219 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.186 -0.673 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.274 -1.430 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.482 -2.297 3.356 1.00 0.00 H new ATOM 427 N LEU A 26 -7.339 -1.471 6.613 1.00 0.00 N ATOM 428 CA LEU A 26 -7.298 -0.641 7.814 1.00 0.00 C ATOM 429 C LEU A 26 -7.037 0.808 7.434 1.00 0.00 C ATOM 430 O LEU A 26 -7.710 1.714 7.912 1.00 0.00 O ATOM 431 CB LEU A 26 -6.248 -1.142 8.805 1.00 0.00 C ATOM 432 CG LEU A 26 -4.838 -1.217 8.251 1.00 0.00 C ATOM 433 CD1 LEU A 26 -4.129 0.116 8.422 1.00 0.00 C ATOM 434 CD2 LEU A 26 -4.054 -2.336 8.919 1.00 0.00 C ATOM 0 H LEU A 26 -6.557 -2.117 6.508 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.267 -0.707 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.247 -0.486 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.540 -2.133 9.153 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.899 -1.439 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.119 0.045 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.679 0.891 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.081 0.369 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.046 -2.371 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.000 -2.152 9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.553 -3.288 8.738 1.00 0.00 H new ATOM 446 N VAL A 27 -6.072 1.010 6.550 1.00 0.00 N ATOM 447 CA VAL A 27 -5.728 2.349 6.073 1.00 0.00 C ATOM 448 C VAL A 27 -6.894 2.973 5.338 1.00 0.00 C ATOM 449 O VAL A 27 -7.191 4.150 5.519 1.00 0.00 O ATOM 450 CB VAL A 27 -4.517 2.338 5.123 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.259 2.802 5.829 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.313 0.978 4.542 1.00 0.00 C ATOM 0 H VAL A 27 -5.509 0.263 6.144 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.478 2.931 6.960 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.727 3.036 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.422 2.783 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.402 3.818 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.047 2.139 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.452 0.993 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.137 0.262 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.201 0.684 3.983 1.00 0.00 H new ATOM 462 N SER A 28 -7.549 2.194 4.493 1.00 0.00 N ATOM 463 CA SER A 28 -8.665 2.724 3.738 1.00 0.00 C ATOM 464 C SER A 28 -9.808 3.123 4.660 1.00 0.00 C ATOM 465 O SER A 28 -10.474 4.136 4.434 1.00 0.00 O ATOM 466 CB SER A 28 -9.149 1.714 2.695 1.00 0.00 C ATOM 467 OG SER A 28 -9.618 0.527 3.312 1.00 0.00 O ATOM 0 H SER A 28 -7.332 1.213 4.317 1.00 0.00 H new ATOM 0 HA SER A 28 -8.318 3.617 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.947 2.157 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.335 1.475 2.011 1.00 0.00 H new ATOM 0 HG SER A 28 -8.873 0.075 3.761 1.00 0.00 H new ATOM 473 N VAL A 29 -10.022 2.331 5.706 1.00 0.00 N ATOM 474 CA VAL A 29 -11.075 2.602 6.668 1.00 0.00 C ATOM 475 C VAL A 29 -10.642 3.699 7.632 1.00 0.00 C ATOM 476 O VAL A 29 -11.388 4.640 7.901 1.00 0.00 O ATOM 477 CB VAL A 29 -11.435 1.313 7.444 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.115 1.428 8.927 1.00 0.00 C ATOM 479 CG2 VAL A 29 -12.898 0.950 7.234 1.00 0.00 C ATOM 0 H VAL A 29 -9.475 1.493 5.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.960 2.943 6.131 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.815 0.511 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.385 0.500 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.049 1.614 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.682 2.253 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.130 0.041 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.530 1.764 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.083 0.785 6.173 1.00 0.00 H new ATOM 489 N TYR A 30 -9.429 3.559 8.150 1.00 0.00 N ATOM 490 CA TYR A 30 -8.887 4.530 9.090 1.00 0.00 C ATOM 491 C TYR A 30 -8.539 5.839 8.392 1.00 0.00 C ATOM 492 O TYR A 30 -8.540 6.897 9.020 1.00 0.00 O ATOM 493 CB TYR A 30 -7.643 3.974 9.793 1.00 0.00 C ATOM 494 CG TYR A 30 -7.942 3.229 11.079 1.00 0.00 C ATOM 495 CD1 TYR A 30 -6.950 3.033 12.032 1.00 0.00 C ATOM 496 CD2 TYR A 30 -9.210 2.722 11.341 1.00 0.00 C ATOM 497 CE1 TYR A 30 -7.211 2.355 13.207 1.00 0.00 C ATOM 498 CE2 TYR A 30 -9.479 2.043 12.514 1.00 0.00 C ATOM 499 CZ TYR A 30 -8.477 1.863 13.444 1.00 0.00 C ATOM 500 OH TYR A 30 -8.742 1.188 14.613 1.00 0.00 O ATOM 0 H TYR A 30 -8.803 2.783 7.935 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.658 4.727 9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.121 3.304 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.964 4.798 10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.957 3.418 11.851 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.998 2.861 10.616 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.427 2.211 13.936 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.469 1.655 12.702 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.681 0.909 14.624 1.00 0.00 H new ATOM 510 N LEU A 31 -8.236 5.773 7.096 1.00 0.00 N ATOM 511 CA LEU A 31 -7.887 6.975 6.353 1.00 0.00 C ATOM 512 C LEU A 31 -9.006 7.368 5.394 1.00 0.00 C ATOM 513 O LEU A 31 -8.887 8.356 4.668 1.00 0.00 O ATOM 514 CB LEU A 31 -6.577 6.779 5.571 1.00 0.00 C ATOM 515 CG LEU A 31 -5.410 6.084 6.310 1.00 0.00 C ATOM 516 CD1 LEU A 31 -4.098 6.803 6.019 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.645 6.012 7.816 1.00 0.00 C ATOM 0 H LEU A 31 -8.226 4.912 6.549 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.746 7.778 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.802 6.200 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.232 7.758 5.240 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.354 5.061 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.285 6.303 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.902 6.783 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.167 7.837 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.800 5.516 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.747 7.020 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.556 5.448 8.016 1.00 0.00 H new ATOM 529 N ASN A 32 -10.093 6.591 5.385 1.00 0.00 N ATOM 530 CA ASN A 32 -11.220 6.869 4.500 1.00 0.00 C ATOM 531 C ASN A 32 -10.720 7.131 3.086 1.00 0.00 C ATOM 532 O ASN A 32 -11.280 7.945 2.352 1.00 0.00 O ATOM 533 CB ASN A 32 -12.015 8.074 5.010 1.00 0.00 C ATOM 534 CG ASN A 32 -13.512 7.868 4.897 1.00 0.00 C ATOM 535 OD1 ASN A 32 -14.056 6.889 5.409 1.00 0.00 O ATOM 536 ND2 ASN A 32 -14.188 8.794 4.227 1.00 0.00 N ATOM 0 H ASN A 32 -10.213 5.770 5.978 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.877 6.000 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.755 8.263 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.729 8.960 4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.199 8.710 4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.696 9.589 3.819 1.00 0.00 H new ATOM 543 N ARG A 33 -9.644 6.441 2.724 1.00 0.00 N ATOM 544 CA ARG A 33 -9.036 6.600 1.409 1.00 0.00 C ATOM 545 C ARG A 33 -9.131 5.316 0.598 1.00 0.00 C ATOM 546 O ARG A 33 -9.517 4.267 1.114 1.00 0.00 O ATOM 547 CB ARG A 33 -7.567 7.004 1.559 1.00 0.00 C ATOM 548 CG ARG A 33 -7.377 8.394 2.146 1.00 0.00 C ATOM 549 CD ARG A 33 -6.233 9.135 1.472 1.00 0.00 C ATOM 550 NE ARG A 33 -5.710 10.210 2.311 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.364 11.342 2.560 1.00 0.00 C ATOM 552 NH1 ARG A 33 -7.565 11.551 2.036 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.817 12.267 3.337 1.00 0.00 N ATOM 0 H ARG A 33 -9.174 5.764 3.325 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.580 7.382 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.062 6.277 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.085 6.962 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.298 8.966 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.180 8.314 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.432 8.433 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.577 9.549 0.524 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.789 10.086 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.991 10.842 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.062 12.420 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.895 12.111 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.318 13.135 3.528 1.00 0.00 H new ATOM 567 N ASP A 34 -8.756 5.402 -0.673 1.00 0.00 N ATOM 568 CA ASP A 34 -8.773 4.245 -1.552 1.00 0.00 C ATOM 569 C ASP A 34 -7.438 3.523 -1.472 1.00 0.00 C ATOM 570 O ASP A 34 -6.434 4.108 -1.067 1.00 0.00 O ATOM 571 CB ASP A 34 -9.062 4.666 -2.994 1.00 0.00 C ATOM 572 CG ASP A 34 -10.545 4.840 -3.261 1.00 0.00 C ATOM 573 OD1 ASP A 34 -11.001 6.000 -3.346 1.00 0.00 O ATOM 574 OD2 ASP A 34 -11.249 3.816 -3.385 1.00 0.00 O ATOM 0 H ASP A 34 -8.436 6.263 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.566 3.570 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.545 5.602 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.659 3.917 -3.676 1.00 0.00 H new ATOM 579 N MET A 35 -7.422 2.252 -1.850 1.00 0.00 N ATOM 580 CA MET A 35 -6.201 1.473 -1.802 1.00 0.00 C ATOM 581 C MET A 35 -5.121 2.110 -2.673 1.00 0.00 C ATOM 582 O MET A 35 -3.942 2.105 -2.319 1.00 0.00 O ATOM 583 CB MET A 35 -6.486 0.029 -2.233 1.00 0.00 C ATOM 584 CG MET A 35 -5.466 -0.536 -3.201 1.00 0.00 C ATOM 585 SD MET A 35 -5.667 -2.307 -3.474 1.00 0.00 S ATOM 586 CE MET A 35 -7.213 -2.338 -4.374 1.00 0.00 C ATOM 0 H MET A 35 -8.238 1.744 -2.191 1.00 0.00 H new ATOM 0 HA MET A 35 -5.829 1.458 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.521 -0.604 -1.346 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.473 -0.014 -2.694 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.549 -0.014 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.464 -0.344 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.292 -3.273 -4.929 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.044 -2.261 -3.673 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.246 -1.499 -5.069 1.00 0.00 H new ATOM 596 N THR A 36 -5.531 2.666 -3.808 1.00 0.00 N ATOM 597 CA THR A 36 -4.594 3.313 -4.715 1.00 0.00 C ATOM 598 C THR A 36 -4.214 4.690 -4.185 1.00 0.00 C ATOM 599 O THR A 36 -3.100 5.165 -4.401 1.00 0.00 O ATOM 600 CB THR A 36 -5.195 3.426 -6.120 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.139 2.394 -6.343 1.00 0.00 O ATOM 602 CG2 THR A 36 -4.169 3.353 -7.233 1.00 0.00 C ATOM 0 H THR A 36 -6.502 2.681 -4.120 1.00 0.00 H new ATOM 0 HA THR A 36 -3.693 2.702 -4.777 1.00 0.00 H new ATOM 0 HB THR A 36 -5.661 4.411 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.514 2.483 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.671 3.440 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.453 4.167 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.644 2.399 -7.182 1.00 0.00 H new ATOM 610 N GLU A 37 -5.141 5.319 -3.467 1.00 0.00 N ATOM 611 CA GLU A 37 -4.891 6.630 -2.883 1.00 0.00 C ATOM 612 C GLU A 37 -3.970 6.484 -1.678 1.00 0.00 C ATOM 613 O GLU A 37 -3.058 7.283 -1.475 1.00 0.00 O ATOM 614 CB GLU A 37 -6.206 7.290 -2.466 1.00 0.00 C ATOM 615 CG GLU A 37 -6.122 8.805 -2.366 1.00 0.00 C ATOM 616 CD GLU A 37 -7.308 9.500 -3.007 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.702 10.577 -2.515 1.00 0.00 O ATOM 618 OE2 GLU A 37 -7.842 8.967 -4.002 1.00 0.00 O ATOM 0 H GLU A 37 -6.069 4.942 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.411 7.264 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.980 7.024 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.515 6.887 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.061 9.093 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.204 9.146 -2.844 1.00 0.00 H new ATOM 625 N ILE A 38 -4.216 5.438 -0.894 1.00 0.00 N ATOM 626 CA ILE A 38 -3.415 5.146 0.289 1.00 0.00 C ATOM 627 C ILE A 38 -1.991 4.772 -0.112 1.00 0.00 C ATOM 628 O ILE A 38 -1.024 5.350 0.381 1.00 0.00 O ATOM 629 CB ILE A 38 -4.014 3.967 1.081 1.00 0.00 C ATOM 630 CG1 ILE A 38 -5.275 4.376 1.850 1.00 0.00 C ATOM 631 CG2 ILE A 38 -2.999 3.375 2.041 1.00 0.00 C ATOM 632 CD1 ILE A 38 -6.439 3.437 1.627 1.00 0.00 C ATOM 0 H ILE A 38 -4.972 4.773 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.410 6.042 0.909 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.291 3.209 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.047 4.415 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.566 5.383 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.452 2.546 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.136 3.014 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.678 4.140 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.300 3.783 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.692 3.417 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.165 2.434 1.954 1.00 0.00 H new ATOM 644 N ILE A 39 -1.874 3.787 -1.004 1.00 0.00 N ATOM 645 CA ILE A 39 -0.569 3.326 -1.460 1.00 0.00 C ATOM 646 C ILE A 39 0.203 4.462 -2.103 1.00 0.00 C ATOM 647 O ILE A 39 1.414 4.588 -1.919 1.00 0.00 O ATOM 648 CB ILE A 39 -0.699 2.181 -2.479 1.00 0.00 C ATOM 649 CG1 ILE A 39 -1.536 2.642 -3.669 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.319 0.953 -1.826 1.00 0.00 C ATOM 651 CD1 ILE A 39 -0.713 3.191 -4.815 1.00 0.00 C ATOM 0 H ILE A 39 -2.665 3.297 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.035 2.962 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 39 0.294 1.907 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.131 1.803 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.235 3.409 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.403 0.153 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.688 0.622 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.310 1.203 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.375 3.498 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.138 4.050 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.033 2.420 -5.176 1.00 0.00 H new ATOM 663 N GLU A 40 -0.507 5.289 -2.858 1.00 0.00 N ATOM 664 CA GLU A 40 0.113 6.414 -3.526 1.00 0.00 C ATOM 665 C GLU A 40 0.450 7.505 -2.521 1.00 0.00 C ATOM 666 O GLU A 40 1.380 8.284 -2.731 1.00 0.00 O ATOM 667 CB GLU A 40 -0.800 6.966 -4.624 1.00 0.00 C ATOM 668 CG GLU A 40 -0.071 7.820 -5.648 1.00 0.00 C ATOM 669 CD GLU A 40 -0.955 8.899 -6.240 1.00 0.00 C ATOM 670 OE1 GLU A 40 -1.960 9.265 -5.595 1.00 0.00 O ATOM 671 OE2 GLU A 40 -0.642 9.381 -7.350 1.00 0.00 O ATOM 0 H GLU A 40 -1.510 5.199 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 40 1.036 6.068 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.284 6.134 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.590 7.560 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.797 8.283 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.303 7.182 -6.448 1.00 0.00 H new ATOM 678 N GLU A 41 -0.288 7.546 -1.415 1.00 0.00 N ATOM 679 CA GLU A 41 -0.018 8.539 -0.384 1.00 0.00 C ATOM 680 C GLU A 41 1.080 8.034 0.541 1.00 0.00 C ATOM 681 O GLU A 41 1.887 8.811 1.056 1.00 0.00 O ATOM 682 CB GLU A 41 -1.283 8.853 0.419 1.00 0.00 C ATOM 683 CG GLU A 41 -1.915 10.188 0.060 1.00 0.00 C ATOM 684 CD GLU A 41 -3.176 10.033 -0.768 1.00 0.00 C ATOM 685 OE1 GLU A 41 -3.274 10.685 -1.828 1.00 0.00 O ATOM 686 OE2 GLU A 41 -4.067 9.260 -0.355 1.00 0.00 O ATOM 0 H GLU A 41 -1.063 6.915 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 41 0.312 9.459 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.013 8.060 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.039 8.850 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.150 10.732 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.194 10.790 -0.493 1.00 0.00 H new ATOM 693 N ALA A 42 1.108 6.719 0.743 1.00 0.00 N ATOM 694 CA ALA A 42 2.106 6.103 1.602 1.00 0.00 C ATOM 695 C ALA A 42 3.452 6.015 0.895 1.00 0.00 C ATOM 696 O ALA A 42 4.500 6.235 1.505 1.00 0.00 O ATOM 697 CB ALA A 42 1.646 4.722 2.044 1.00 0.00 C ATOM 0 H ALA A 42 0.450 6.063 0.322 1.00 0.00 H new ATOM 0 HA ALA A 42 2.227 6.729 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.404 4.274 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.709 4.809 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.494 4.091 1.168 1.00 0.00 H new ATOM 703 N VAL A 43 3.420 5.695 -0.395 1.00 0.00 N ATOM 704 CA VAL A 43 4.645 5.584 -1.182 1.00 0.00 C ATOM 705 C VAL A 43 5.472 6.847 -1.074 1.00 0.00 C ATOM 706 O VAL A 43 6.601 6.835 -0.587 1.00 0.00 O ATOM 707 CB VAL A 43 4.345 5.330 -2.681 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.280 6.267 -3.203 1.00 0.00 C ATOM 709 CG2 VAL A 43 5.599 5.482 -3.517 1.00 0.00 C ATOM 0 H VAL A 43 2.563 5.509 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 43 5.197 4.736 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 43 3.978 4.307 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.097 6.059 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.359 6.121 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.615 7.298 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.362 5.299 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.991 6.493 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.348 4.764 -3.183 1.00 0.00 H new ATOM 719 N VAL A 44 4.889 7.930 -1.540 1.00 0.00 N ATOM 720 CA VAL A 44 5.537 9.223 -1.521 1.00 0.00 C ATOM 721 C VAL A 44 5.971 9.580 -0.110 1.00 0.00 C ATOM 722 O VAL A 44 7.120 9.941 0.126 1.00 0.00 O ATOM 723 CB VAL A 44 4.585 10.298 -2.081 1.00 0.00 C ATOM 724 CG1 VAL A 44 4.674 11.609 -1.302 1.00 0.00 C ATOM 725 CG2 VAL A 44 4.847 10.531 -3.559 1.00 0.00 C ATOM 0 H VAL A 44 3.952 7.939 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 44 6.426 9.179 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 44 3.569 9.922 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.986 12.336 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.409 11.432 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.691 11.996 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.164 11.293 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.875 10.865 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.690 9.602 -4.107 1.00 0.00 H new ATOM 735 N MET A 45 5.041 9.472 0.824 1.00 0.00 N ATOM 736 CA MET A 45 5.333 9.785 2.211 1.00 0.00 C ATOM 737 C MET A 45 6.485 8.937 2.733 1.00 0.00 C ATOM 738 O MET A 45 7.245 9.383 3.593 1.00 0.00 O ATOM 739 CB MET A 45 4.093 9.588 3.081 1.00 0.00 C ATOM 740 CG MET A 45 4.117 10.407 4.362 1.00 0.00 C ATOM 741 SD MET A 45 4.353 12.170 4.058 1.00 0.00 S ATOM 742 CE MET A 45 5.871 12.468 4.961 1.00 0.00 C ATOM 0 H MET A 45 4.082 9.171 0.648 1.00 0.00 H new ATOM 0 HA MET A 45 5.631 10.832 2.261 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.208 9.855 2.504 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.001 8.532 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.182 10.258 4.901 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.918 10.043 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.300 13.419 4.647 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.658 12.501 6.030 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.579 11.665 4.757 1.00 0.00 H new ATOM 752 N TRP A 46 6.628 7.718 2.212 1.00 0.00 N ATOM 753 CA TRP A 46 7.715 6.855 2.652 1.00 0.00 C ATOM 754 C TRP A 46 9.035 7.363 2.103 1.00 0.00 C ATOM 755 O TRP A 46 9.988 7.560 2.852 1.00 0.00 O ATOM 756 CB TRP A 46 7.484 5.405 2.222 1.00 0.00 C ATOM 757 CG TRP A 46 8.623 4.498 2.581 1.00 0.00 C ATOM 758 CD1 TRP A 46 9.337 3.701 1.734 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.186 4.303 3.884 1.00 0.00 C ATOM 760 NE1 TRP A 46 10.305 3.017 2.430 1.00 0.00 N ATOM 761 CE2 TRP A 46 10.233 3.371 3.752 1.00 0.00 C ATOM 762 CE3 TRP A 46 8.907 4.825 5.150 1.00 0.00 C ATOM 763 CZ2 TRP A 46 10.999 2.952 4.837 1.00 0.00 C ATOM 764 CZ3 TRP A 46 9.669 4.409 6.226 1.00 0.00 C ATOM 765 CH2 TRP A 46 10.704 3.480 6.064 1.00 0.00 C ATOM 0 H TRP A 46 6.018 7.316 1.501 1.00 0.00 H new ATOM 0 HA TRP A 46 7.747 6.878 3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.571 5.035 2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.327 5.372 1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.166 3.620 0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.968 2.354 2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 46 8.110 5.541 5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.798 2.236 4.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.462 4.807 7.208 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.281 3.174 6.924 1.00 0.00 H new ATOM 776 N LEU A 47 9.088 7.592 0.799 1.00 0.00 N ATOM 777 CA LEU A 47 10.302 8.103 0.182 1.00 0.00 C ATOM 778 C LEU A 47 10.641 9.459 0.762 1.00 0.00 C ATOM 779 O LEU A 47 11.792 9.758 1.074 1.00 0.00 O ATOM 780 CB LEU A 47 10.154 8.264 -1.330 1.00 0.00 C ATOM 781 CG LEU A 47 8.766 8.656 -1.834 1.00 0.00 C ATOM 782 CD1 LEU A 47 8.703 10.161 -2.036 1.00 0.00 C ATOM 783 CD2 LEU A 47 8.435 7.924 -3.128 1.00 0.00 C ATOM 0 H LEU A 47 8.314 7.434 0.154 1.00 0.00 H new ATOM 0 HA LEU A 47 11.091 7.378 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.866 9.018 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.438 7.324 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 47 8.024 8.367 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.712 10.439 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.899 10.664 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.452 10.461 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.442 8.218 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.171 8.181 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.454 6.848 -2.953 1.00 0.00 H new ATOM 795 N ILE A 48 9.619 10.285 0.879 1.00 0.00 N ATOM 796 CA ILE A 48 9.778 11.620 1.390 1.00 0.00 C ATOM 797 C ILE A 48 10.409 11.615 2.773 1.00 0.00 C ATOM 798 O ILE A 48 11.362 12.351 3.031 1.00 0.00 O ATOM 799 CB ILE A 48 8.415 12.342 1.409 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.421 13.458 0.380 1.00 0.00 C ATOM 801 CG2 ILE A 48 8.079 12.882 2.790 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.354 12.971 -1.050 1.00 0.00 C ATOM 0 H ILE A 48 8.662 10.045 0.622 1.00 0.00 H new ATOM 0 HA ILE A 48 10.454 12.161 0.728 1.00 0.00 H new ATOM 0 HB ILE A 48 7.640 11.619 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.575 14.118 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.325 14.054 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.111 13.383 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.039 12.058 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.846 13.592 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.362 13.826 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.214 12.335 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.437 12.401 -1.198 1.00 0.00 H new ATOM 814 N GLN A 49 9.873 10.796 3.667 1.00 0.00 N ATOM 815 CA GLN A 49 10.399 10.733 5.015 1.00 0.00 C ATOM 816 C GLN A 49 11.598 9.788 5.115 1.00 0.00 C ATOM 817 O GLN A 49 12.452 9.950 5.987 1.00 0.00 O ATOM 818 CB GLN A 49 9.304 10.305 5.997 1.00 0.00 C ATOM 819 CG GLN A 49 8.986 8.817 5.960 1.00 0.00 C ATOM 820 CD GLN A 49 7.779 8.458 6.805 1.00 0.00 C ATOM 821 OE1 GLN A 49 6.673 8.940 6.563 1.00 0.00 O ATOM 822 NE2 GLN A 49 7.988 7.610 7.806 1.00 0.00 N ATOM 0 H GLN A 49 9.085 10.175 3.483 1.00 0.00 H new ATOM 0 HA GLN A 49 10.744 11.733 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.611 10.575 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.395 10.866 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.806 8.513 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.851 8.255 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.922 7.235 7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.214 7.334 8.411 1.00 0.00 H new ATOM 831 N ASN A 50 11.640 8.783 4.242 1.00 0.00 N ATOM 832 CA ASN A 50 12.723 7.798 4.269 1.00 0.00 C ATOM 833 C ASN A 50 13.823 8.093 3.254 1.00 0.00 C ATOM 834 O ASN A 50 14.980 8.290 3.621 1.00 0.00 O ATOM 835 CB ASN A 50 12.163 6.394 4.027 1.00 0.00 C ATOM 836 CG ASN A 50 13.054 5.310 4.601 1.00 0.00 C ATOM 837 OD1 ASN A 50 13.152 5.267 5.926 1.00 0.00 O flip ATOM 838 ND2 ASN A 50 13.646 4.522 3.865 1.00 0.00 N flip ATOM 0 H ASN A 50 10.944 8.629 3.513 1.00 0.00 H new ATOM 0 HA ASN A 50 13.175 7.858 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.171 6.319 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.044 6.233 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.541 4.592 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.242 3.798 4.267 1.00 0.00 H new ATOM 845 N LYS A 51 13.460 8.097 1.980 1.00 0.00 N ATOM 846 CA LYS A 51 14.424 8.336 0.907 1.00 0.00 C ATOM 847 C LYS A 51 15.140 9.671 1.079 1.00 0.00 C ATOM 848 O LYS A 51 16.370 9.728 1.084 1.00 0.00 O ATOM 849 CB LYS A 51 13.733 8.287 -0.458 1.00 0.00 C ATOM 850 CG LYS A 51 14.013 7.011 -1.234 1.00 0.00 C ATOM 851 CD LYS A 51 15.499 6.837 -1.498 1.00 0.00 C ATOM 852 CE LYS A 51 15.908 5.376 -1.416 1.00 0.00 C ATOM 853 NZ LYS A 51 15.698 4.814 -0.054 1.00 0.00 N ATOM 0 H LYS A 51 12.505 7.938 1.660 1.00 0.00 H new ATOM 0 HA LYS A 51 15.171 7.544 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.657 8.387 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.057 9.142 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.639 6.154 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.474 7.034 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.744 7.230 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.070 7.418 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.333 4.798 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.958 5.277 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.280 3.960 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.972 5.520 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.695 4.569 0.070 1.00 0.00 H new ATOM 867 N GLU A 52 14.368 10.744 1.209 1.00 0.00 N ATOM 868 CA GLU A 52 14.935 12.081 1.370 1.00 0.00 C ATOM 869 C GLU A 52 16.065 12.087 2.396 1.00 0.00 C ATOM 870 O GLU A 52 17.022 12.853 2.275 1.00 0.00 O ATOM 871 CB GLU A 52 13.846 13.071 1.792 1.00 0.00 C ATOM 872 CG GLU A 52 14.068 14.480 1.266 1.00 0.00 C ATOM 873 CD GLU A 52 15.357 15.097 1.776 1.00 0.00 C ATOM 874 OE1 GLU A 52 15.526 15.182 3.010 1.00 0.00 O ATOM 875 OE2 GLU A 52 16.195 15.495 0.941 1.00 0.00 O ATOM 0 H GLU A 52 13.348 10.716 1.206 1.00 0.00 H new ATOM 0 HA GLU A 52 15.347 12.385 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.880 12.708 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.797 13.102 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.086 14.458 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.228 15.110 1.558 1.00 0.00 H new ATOM 882 N LYS A 53 15.948 11.232 3.407 1.00 0.00 N ATOM 883 CA LYS A 53 16.959 11.146 4.454 1.00 0.00 C ATOM 884 C LYS A 53 17.474 9.719 4.628 1.00 0.00 C ATOM 885 O LYS A 53 17.889 9.340 5.722 1.00 0.00 O ATOM 886 CB LYS A 53 16.391 11.656 5.780 1.00 0.00 C ATOM 887 CG LYS A 53 15.090 10.979 6.183 1.00 0.00 C ATOM 888 CD LYS A 53 15.166 10.414 7.592 1.00 0.00 C ATOM 889 CE LYS A 53 15.922 9.095 7.623 1.00 0.00 C ATOM 890 NZ LYS A 53 15.361 8.157 8.634 1.00 0.00 N ATOM 0 H LYS A 53 15.164 10.590 3.523 1.00 0.00 H new ATOM 0 HA LYS A 53 17.799 11.772 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.130 11.502 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.224 12.731 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.272 11.696 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.864 10.177 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.659 11.132 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.158 10.266 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.884 8.631 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.972 9.284 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.904 7.270 8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.420 8.588 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.366 7.956 8.407 1.00 0.00 H new ATOM 904 N LEU A 54 17.449 8.929 3.554 1.00 0.00 N ATOM 905 CA LEU A 54 17.916 7.542 3.614 1.00 0.00 C ATOM 906 C LEU A 54 19.341 7.470 4.160 1.00 0.00 C ATOM 907 O LEU A 54 20.303 7.738 3.440 1.00 0.00 O ATOM 908 CB LEU A 54 17.870 6.896 2.228 1.00 0.00 C ATOM 909 CG LEU A 54 18.160 5.392 2.212 1.00 0.00 C ATOM 910 CD1 LEU A 54 16.988 4.615 2.797 1.00 0.00 C ATOM 911 CD2 LEU A 54 18.463 4.924 0.796 1.00 0.00 C ATOM 0 H LEU A 54 17.113 9.223 2.637 1.00 0.00 H new ATOM 0 HA LEU A 54 17.251 6.998 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.884 7.067 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 18.592 7.398 1.584 1.00 0.00 H new ATOM 0 HG LEU A 54 19.037 5.202 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.212 3.549 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.819 4.931 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.092 4.808 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 54 18.667 3.853 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 54 17.605 5.126 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 19.334 5.457 0.415 1.00 0.00 H new ATOM 923 N PRO A 55 19.498 7.111 5.448 1.00 0.00 N ATOM 924 CA PRO A 55 20.807 7.009 6.092 1.00 0.00 C ATOM 925 C PRO A 55 21.525 5.711 5.741 1.00 0.00 C ATOM 926 O PRO A 55 20.895 4.729 5.349 1.00 0.00 O ATOM 927 CB PRO A 55 20.482 7.046 7.596 1.00 0.00 C ATOM 928 CG PRO A 55 18.999 7.230 7.697 1.00 0.00 C ATOM 929 CD PRO A 55 18.425 6.776 6.388 1.00 0.00 C ATOM 0 HA PRO A 55 21.476 7.807 5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.794 6.123 8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.010 7.862 8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.591 6.647 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.749 8.273 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.203 5.709 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.497 7.295 6.148 1.00 0.00 H new ATOM 937 N ASN A 56 22.843 5.711 5.898 1.00 0.00 N ATOM 938 CA ASN A 56 23.643 4.528 5.612 1.00 0.00 C ATOM 939 C ASN A 56 23.471 3.491 6.719 1.00 0.00 C ATOM 940 O ASN A 56 23.602 2.290 6.487 1.00 0.00 O ATOM 941 CB ASN A 56 25.119 4.904 5.467 1.00 0.00 C ATOM 942 CG ASN A 56 25.576 4.902 4.022 1.00 0.00 C ATOM 943 OD1 ASN A 56 24.816 5.250 3.118 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.824 4.510 3.796 1.00 0.00 N ATOM 0 H ASN A 56 23.379 6.516 6.221 1.00 0.00 H new ATOM 0 HA ASN A 56 23.299 4.097 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.283 5.893 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.728 4.203 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.187 4.489 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 56 27.420 4.230 4.575 1.00 0.00 H new ATOM 951 N GLU A 57 23.172 3.970 7.925 1.00 0.00 N ATOM 952 CA GLU A 57 22.974 3.092 9.072 1.00 0.00 C ATOM 953 C GLU A 57 21.601 2.423 9.024 1.00 0.00 C ATOM 954 O GLU A 57 21.353 1.450 9.735 1.00 0.00 O ATOM 955 CB GLU A 57 23.125 3.880 10.375 1.00 0.00 C ATOM 956 CG GLU A 57 22.019 4.898 10.605 1.00 0.00 C ATOM 957 CD GLU A 57 22.512 6.330 10.508 1.00 0.00 C ATOM 958 OE1 GLU A 57 23.683 6.579 10.865 1.00 0.00 O ATOM 959 OE2 GLU A 57 21.727 7.199 10.075 1.00 0.00 O ATOM 0 H GLU A 57 23.062 4.963 8.131 1.00 0.00 H new ATOM 0 HA GLU A 57 23.735 2.313 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.144 3.182 11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 57 24.085 4.395 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.227 4.740 9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.580 4.735 11.589 1.00 0.00 H new ATOM 966 N LEU A 58 20.712 2.952 8.186 1.00 0.00 N ATOM 967 CA LEU A 58 19.368 2.401 8.053 1.00 0.00 C ATOM 968 C LEU A 58 19.340 1.267 7.034 1.00 0.00 C ATOM 969 O LEU A 58 18.451 0.419 7.069 1.00 0.00 O ATOM 970 CB LEU A 58 18.380 3.493 7.643 1.00 0.00 C ATOM 971 CG LEU A 58 17.177 3.658 8.574 1.00 0.00 C ATOM 972 CD1 LEU A 58 17.444 4.742 9.606 1.00 0.00 C ATOM 973 CD2 LEU A 58 15.923 3.978 7.775 1.00 0.00 C ATOM 0 H LEU A 58 20.899 3.759 7.591 1.00 0.00 H new ATOM 0 HA LEU A 58 19.073 2.001 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.912 4.443 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.016 3.275 6.639 1.00 0.00 H new ATOM 0 HG LEU A 58 17.018 2.716 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.577 4.844 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.316 4.471 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.630 5.689 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.078 4.092 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.071 4.905 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.720 3.167 7.076 1.00 0.00 H new ATOM 985 N LYS A 59 20.319 1.261 6.126 1.00 0.00 N ATOM 986 CA LYS A 59 20.414 0.230 5.090 1.00 0.00 C ATOM 987 C LYS A 59 19.992 -1.143 5.620 1.00 0.00 C ATOM 988 O LYS A 59 19.199 -1.839 4.990 1.00 0.00 O ATOM 989 CB LYS A 59 21.841 0.160 4.544 1.00 0.00 C ATOM 990 CG LYS A 59 21.907 -0.090 3.046 1.00 0.00 C ATOM 991 CD LYS A 59 23.329 -0.366 2.589 1.00 0.00 C ATOM 992 CE LYS A 59 23.798 -1.745 3.028 1.00 0.00 C ATOM 993 NZ LYS A 59 23.076 -2.833 2.311 1.00 0.00 N ATOM 0 H LYS A 59 21.060 1.961 6.088 1.00 0.00 H new ATOM 0 HA LYS A 59 19.731 0.505 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.354 1.094 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.380 -0.634 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.271 -0.937 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 59 21.515 0.777 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 59 23.384 -0.290 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 59 23.997 0.393 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.869 -1.839 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.646 -1.855 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.594 -3.728 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.119 -2.933 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.011 -2.599 1.300 1.00 0.00 H new ATOM 1007 N PRO A 60 20.516 -1.554 6.788 1.00 0.00 N ATOM 1008 CA PRO A 60 20.177 -2.848 7.387 1.00 0.00 C ATOM 1009 C PRO A 60 18.708 -2.930 7.777 1.00 0.00 C ATOM 1010 O PRO A 60 18.088 -3.989 7.682 1.00 0.00 O ATOM 1011 CB PRO A 60 21.072 -2.928 8.633 1.00 0.00 C ATOM 1012 CG PRO A 60 22.119 -1.884 8.433 1.00 0.00 C ATOM 1013 CD PRO A 60 21.472 -0.803 7.615 1.00 0.00 C ATOM 0 HA PRO A 60 20.337 -3.670 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.499 -2.742 9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.518 -3.918 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 60 22.469 -1.494 9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.988 -2.296 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 60 20.973 -0.064 8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.199 -0.265 7.007 1.00 0.00 H new ATOM 1021 N LYS A 61 18.150 -1.805 8.209 1.00 0.00 N ATOM 1022 CA LYS A 61 16.747 -1.757 8.601 1.00 0.00 C ATOM 1023 C LYS A 61 15.845 -1.980 7.394 1.00 0.00 C ATOM 1024 O LYS A 61 14.714 -2.442 7.536 1.00 0.00 O ATOM 1025 CB LYS A 61 16.405 -0.425 9.268 1.00 0.00 C ATOM 1026 CG LYS A 61 15.057 -0.437 9.975 1.00 0.00 C ATOM 1027 CD LYS A 61 13.946 0.070 9.069 1.00 0.00 C ATOM 1028 CE LYS A 61 13.419 1.419 9.533 1.00 0.00 C ATOM 1029 NZ LYS A 61 12.372 1.276 10.582 1.00 0.00 N ATOM 0 H LYS A 61 18.645 -0.918 8.296 1.00 0.00 H new ATOM 0 HA LYS A 61 16.578 -2.556 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.184 -0.177 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.406 0.362 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.826 -1.451 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.109 0.183 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.318 0.155 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.131 -0.654 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.244 2.016 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.008 1.960 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.039 2.218 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.574 0.728 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.771 0.782 11.406 1.00 0.00 H new ATOM 1043 N ILE A 62 16.351 -1.669 6.200 1.00 0.00 N ATOM 1044 CA ILE A 62 15.575 -1.866 4.982 1.00 0.00 C ATOM 1045 C ILE A 62 15.104 -3.316 4.908 1.00 0.00 C ATOM 1046 O ILE A 62 14.058 -3.615 4.331 1.00 0.00 O ATOM 1047 CB ILE A 62 16.387 -1.489 3.718 1.00 0.00 C ATOM 1048 CG1 ILE A 62 16.272 0.013 3.449 1.00 0.00 C ATOM 1049 CG2 ILE A 62 15.922 -2.280 2.501 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.581 0.869 4.658 1.00 0.00 C ATOM 0 H ILE A 62 17.284 -1.284 6.054 1.00 0.00 H new ATOM 0 HA ILE A 62 14.709 -1.205 5.015 1.00 0.00 H new ATOM 0 HB ILE A 62 17.431 -1.742 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.951 0.282 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.262 0.236 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 62 16.513 -1.991 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.051 -3.346 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.870 -2.070 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.480 1.922 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.885 0.628 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.601 0.675 4.990 1.00 0.00 H new ATOM 1062 N ASP A 63 15.865 -4.206 5.543 1.00 0.00 N ATOM 1063 CA ASP A 63 15.508 -5.608 5.598 1.00 0.00 C ATOM 1064 C ASP A 63 14.327 -5.746 6.540 1.00 0.00 C ATOM 1065 O ASP A 63 13.393 -6.506 6.288 1.00 0.00 O ATOM 1066 CB ASP A 63 16.693 -6.446 6.086 1.00 0.00 C ATOM 1067 CG ASP A 63 17.057 -7.551 5.115 1.00 0.00 C ATOM 1068 OD1 ASP A 63 16.455 -8.642 5.204 1.00 0.00 O ATOM 1069 OD2 ASP A 63 17.942 -7.326 4.264 1.00 0.00 O ATOM 0 H ASP A 63 16.733 -3.973 6.025 1.00 0.00 H new ATOM 0 HA ASP A 63 15.242 -5.971 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.556 -5.798 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.451 -6.882 7.055 1.00 0.00 H new ATOM 1074 N GLU A 64 14.368 -4.957 7.615 1.00 0.00 N ATOM 1075 CA GLU A 64 13.299 -4.931 8.595 1.00 0.00 C ATOM 1076 C GLU A 64 12.007 -4.491 7.919 1.00 0.00 C ATOM 1077 O GLU A 64 10.947 -5.069 8.138 1.00 0.00 O ATOM 1078 CB GLU A 64 13.652 -3.978 9.741 1.00 0.00 C ATOM 1079 CG GLU A 64 13.843 -4.678 11.078 1.00 0.00 C ATOM 1080 CD GLU A 64 14.014 -3.705 12.228 1.00 0.00 C ATOM 1081 OE1 GLU A 64 15.063 -3.760 12.903 1.00 0.00 O ATOM 1082 OE2 GLU A 64 13.097 -2.886 12.453 1.00 0.00 O ATOM 0 H GLU A 64 15.141 -4.325 7.823 1.00 0.00 H new ATOM 0 HA GLU A 64 13.166 -5.930 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.566 -3.441 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.862 -3.233 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.983 -5.319 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.718 -5.326 11.023 1.00 0.00 H new ATOM 1089 N ILE A 65 12.125 -3.470 7.073 1.00 0.00 N ATOM 1090 CA ILE A 65 10.987 -2.943 6.330 1.00 0.00 C ATOM 1091 C ILE A 65 10.349 -4.034 5.478 1.00 0.00 C ATOM 1092 O ILE A 65 9.127 -4.117 5.376 1.00 0.00 O ATOM 1093 CB ILE A 65 11.423 -1.775 5.415 1.00 0.00 C ATOM 1094 CG1 ILE A 65 12.094 -0.679 6.244 1.00 0.00 C ATOM 1095 CG2 ILE A 65 10.233 -1.212 4.645 1.00 0.00 C ATOM 1096 CD1 ILE A 65 11.149 0.003 7.208 1.00 0.00 C ATOM 0 H ILE A 65 13.005 -2.989 6.885 1.00 0.00 H new ATOM 0 HA ILE A 65 10.259 -2.579 7.055 1.00 0.00 H new ATOM 0 HB ILE A 65 12.142 -2.156 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.923 -1.112 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.518 0.067 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.566 -0.392 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.796 -1.996 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.485 -0.845 5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.688 0.769 7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.333 0.465 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.744 -0.733 7.903 1.00 0.00 H new ATOM 1108 N SER A 66 11.186 -4.867 4.869 1.00 0.00 N ATOM 1109 CA SER A 66 10.705 -5.954 4.023 1.00 0.00 C ATOM 1110 C SER A 66 10.168 -7.109 4.861 1.00 0.00 C ATOM 1111 O SER A 66 9.065 -7.601 4.621 1.00 0.00 O ATOM 1112 CB SER A 66 11.828 -6.454 3.112 1.00 0.00 C ATOM 1113 OG SER A 66 12.680 -7.354 3.800 1.00 0.00 O ATOM 0 H SER A 66 12.202 -4.810 4.945 1.00 0.00 H new ATOM 0 HA SER A 66 9.891 -5.566 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.400 -6.948 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.408 -5.607 2.746 1.00 0.00 H new ATOM 0 HG SER A 66 12.859 -7.011 4.701 1.00 0.00 H new ATOM 1387 N LYS B 9 -1.739 -13.316 -3.577 1.00 0.00 N ATOM 1388 CA LYS B 9 -1.440 -12.031 -4.196 1.00 0.00 C ATOM 1389 C LYS B 9 -2.296 -11.826 -5.439 1.00 0.00 C ATOM 1390 O LYS B 9 -2.605 -12.779 -6.156 1.00 0.00 O ATOM 1391 CB LYS B 9 0.044 -11.953 -4.557 1.00 0.00 C ATOM 1392 CG LYS B 9 0.830 -11.002 -3.673 1.00 0.00 C ATOM 1393 CD LYS B 9 1.885 -11.731 -2.856 1.00 0.00 C ATOM 1394 CE LYS B 9 1.258 -12.723 -1.889 1.00 0.00 C ATOM 1395 NZ LYS B 9 1.280 -12.221 -0.488 1.00 0.00 N ATOM 0 HA LYS B 9 -1.671 -11.240 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS B 9 0.481 -12.949 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.142 -11.637 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.310 -10.243 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS B 9 0.147 -10.481 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS B 9 2.566 -12.256 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS B 9 2.480 -11.007 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.229 -12.920 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.793 -13.671 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.799 -12.903 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.265 -12.105 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.791 -11.304 -0.440 1.00 0.00 H new ATOM 1409 N LYS B 10 -2.696 -10.584 -5.678 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.543 -10.266 -6.823 1.00 0.00 C ATOM 1411 C LYS B 10 -2.923 -9.181 -7.702 1.00 0.00 C ATOM 1412 O LYS B 10 -2.364 -8.212 -7.201 1.00 0.00 O ATOM 1413 CB LYS B 10 -4.904 -9.792 -6.323 1.00 0.00 C ATOM 1414 CG LYS B 10 -5.787 -10.901 -5.777 1.00 0.00 C ATOM 1415 CD LYS B 10 -6.535 -10.449 -4.527 1.00 0.00 C ATOM 1416 CE LYS B 10 -7.990 -10.888 -4.559 1.00 0.00 C ATOM 1417 NZ LYS B 10 -8.852 -9.906 -5.273 1.00 0.00 N ATOM 0 H LYS B 10 -2.450 -9.782 -5.098 1.00 0.00 H new ATOM 0 HA LYS B 10 -3.649 -11.168 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -4.752 -9.046 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.427 -9.296 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.502 -11.208 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -5.176 -11.773 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -6.049 -10.860 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.483 -9.363 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -8.065 -11.859 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -8.353 -11.015 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -9.836 -10.243 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -8.801 -8.985 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -8.522 -9.803 -6.254 1.00 0.00 H new ATOM 1431 N LYS B 11 -3.045 -9.328 -9.017 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.507 -8.324 -9.928 1.00 0.00 C ATOM 1433 C LYS B 11 -3.315 -7.040 -9.811 1.00 0.00 C ATOM 1434 O LYS B 11 -4.459 -6.972 -10.258 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.533 -8.827 -11.371 1.00 0.00 C ATOM 1436 CG LYS B 11 -1.887 -10.191 -11.553 1.00 0.00 C ATOM 1437 CD LYS B 11 -2.913 -11.312 -11.476 1.00 0.00 C ATOM 1438 CE LYS B 11 -2.636 -12.246 -10.308 1.00 0.00 C ATOM 1439 NZ LYS B 11 -2.051 -13.539 -10.758 1.00 0.00 N ATOM 0 H LYS B 11 -3.503 -10.118 -9.470 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.470 -8.128 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.567 -8.876 -11.711 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -2.022 -8.105 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -1.379 -10.228 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.127 -10.339 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.911 -10.886 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -2.903 -11.879 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.953 -11.762 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.563 -12.436 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.877 -14.147 -9.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.713 -14.014 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -1.153 -13.361 -11.252 1.00 0.00 H new ATOM 1453 N THR B 12 -2.718 -6.026 -9.198 1.00 0.00 N ATOM 1454 CA THR B 12 -3.394 -4.749 -9.013 1.00 0.00 C ATOM 1455 C THR B 12 -2.724 -3.649 -9.827 1.00 0.00 C ATOM 1456 O THR B 12 -1.512 -3.667 -10.030 1.00 0.00 O ATOM 1457 CB THR B 12 -3.410 -4.366 -7.534 1.00 0.00 C ATOM 1458 OG1 THR B 12 -3.974 -5.404 -6.753 1.00 0.00 O ATOM 1459 CG2 THR B 12 -4.191 -3.101 -7.252 1.00 0.00 C ATOM 0 H THR B 12 -1.771 -6.063 -8.822 1.00 0.00 H new ATOM 0 HA THR B 12 -4.420 -4.859 -9.365 1.00 0.00 H new ATOM 0 HB THR B 12 -2.367 -4.196 -7.268 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.959 -5.147 -5.807 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.162 -2.886 -6.184 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.748 -2.270 -7.801 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.226 -3.234 -7.568 1.00 0.00 H new ATOM 1467 N THR B 13 -3.519 -2.689 -10.292 1.00 0.00 N ATOM 1468 CA THR B 13 -2.987 -1.585 -11.081 1.00 0.00 C ATOM 1469 C THR B 13 -3.047 -0.274 -10.319 1.00 0.00 C ATOM 1470 O THR B 13 -4.092 0.111 -9.798 1.00 0.00 O ATOM 1471 CB THR B 13 -3.754 -1.423 -12.390 1.00 0.00 C ATOM 1472 OG1 THR B 13 -4.258 -2.665 -12.845 1.00 0.00 O ATOM 1473 CG2 THR B 13 -2.909 -0.828 -13.494 1.00 0.00 C ATOM 0 H THR B 13 -4.527 -2.654 -10.137 1.00 0.00 H new ATOM 0 HA THR B 13 -1.946 -1.829 -11.294 1.00 0.00 H new ATOM 0 HB THR B 13 -4.572 -0.739 -12.166 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.746 -2.532 -13.684 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.507 -0.736 -14.401 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.556 0.158 -13.191 1.00 0.00 H new ATOM 0 HG23 THR B 13 -2.054 -1.476 -13.687 1.00 0.00 H new ATOM 1481 N LEU B 14 -1.922 0.421 -10.291 1.00 0.00 N ATOM 1482 CA LEU B 14 -1.833 1.710 -9.632 1.00 0.00 C ATOM 1483 C LEU B 14 -1.281 2.732 -10.618 1.00 0.00 C ATOM 1484 O LEU B 14 -0.304 2.462 -11.317 1.00 0.00 O ATOM 1485 CB LEU B 14 -0.961 1.611 -8.377 1.00 0.00 C ATOM 1486 CG LEU B 14 -1.342 0.475 -7.420 1.00 0.00 C ATOM 1487 CD1 LEU B 14 -0.400 0.430 -6.227 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -2.784 0.628 -6.954 1.00 0.00 C ATOM 0 H LEU B 14 -1.051 0.109 -10.722 1.00 0.00 H new ATOM 0 HA LEU B 14 -2.824 2.032 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU B 14 0.077 1.478 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.016 2.556 -7.837 1.00 0.00 H new ATOM 0 HG LEU B 14 -1.251 -0.467 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -0.692 -0.384 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU B 14 0.620 0.267 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -0.452 1.375 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.036 -0.187 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.900 1.580 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -3.450 0.601 -7.817 1.00 0.00 H new ATOM 1500 N ALA B 15 -1.934 3.884 -10.711 1.00 0.00 N ATOM 1501 CA ALA B 15 -1.521 4.908 -11.662 1.00 0.00 C ATOM 1502 C ALA B 15 -0.455 5.838 -11.100 1.00 0.00 C ATOM 1503 O ALA B 15 -0.749 6.801 -10.390 1.00 0.00 O ATOM 1504 CB ALA B 15 -2.727 5.709 -12.128 1.00 0.00 C ATOM 0 H ALA B 15 -2.745 4.131 -10.144 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.074 4.391 -12.512 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -2.405 6.471 -12.838 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.442 5.043 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.199 6.188 -11.270 1.00 0.00 H new ATOM 1510 N PHE B 16 0.785 5.544 -11.461 1.00 0.00 N ATOM 1511 CA PHE B 16 1.938 6.336 -11.054 1.00 0.00 C ATOM 1512 C PHE B 16 3.196 5.741 -11.643 1.00 0.00 C ATOM 1513 O PHE B 16 3.158 4.691 -12.270 1.00 0.00 O ATOM 1514 CB PHE B 16 2.068 6.442 -9.529 1.00 0.00 C ATOM 1515 CG PHE B 16 2.123 5.122 -8.798 1.00 0.00 C ATOM 1516 CD1 PHE B 16 2.185 5.099 -7.413 1.00 0.00 C ATOM 1517 CD2 PHE B 16 2.119 3.912 -9.481 1.00 0.00 C ATOM 1518 CE1 PHE B 16 2.240 3.902 -6.726 1.00 0.00 C ATOM 1519 CE2 PHE B 16 2.173 2.713 -8.797 1.00 0.00 C ATOM 1520 CZ PHE B 16 2.235 2.707 -7.417 1.00 0.00 C ATOM 0 H PHE B 16 1.022 4.744 -12.048 1.00 0.00 H new ATOM 0 HA PHE B 16 1.791 7.348 -11.432 1.00 0.00 H new ATOM 0 HB2 PHE B 16 2.970 7.007 -9.295 1.00 0.00 H new ATOM 0 HB3 PHE B 16 1.224 7.016 -9.147 1.00 0.00 H new ATOM 0 HD1 PHE B 16 2.190 6.029 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.073 3.909 -10.560 1.00 0.00 H new ATOM 0 HE1 PHE B 16 2.287 3.901 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.167 1.780 -9.341 1.00 0.00 H new ATOM 0 HZ PHE B 16 2.279 1.771 -6.881 1.00 0.00 H new ATOM 1530 N ASP B 17 4.304 6.423 -11.455 1.00 0.00 N ATOM 1531 CA ASP B 17 5.586 5.974 -11.971 1.00 0.00 C ATOM 1532 C ASP B 17 6.518 7.149 -12.076 1.00 0.00 C ATOM 1533 O ASP B 17 7.712 7.040 -11.826 1.00 0.00 O ATOM 1534 CB ASP B 17 5.448 5.310 -13.341 1.00 0.00 C ATOM 1535 CG ASP B 17 5.494 3.796 -13.259 1.00 0.00 C ATOM 1536 OD1 ASP B 17 5.265 3.253 -12.159 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.761 3.153 -14.297 1.00 0.00 O ATOM 0 H ASP B 17 4.346 7.303 -10.942 1.00 0.00 H new ATOM 0 HA ASP B 17 5.985 5.232 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.507 5.618 -13.797 1.00 0.00 H new ATOM 0 HB3 ASP B 17 6.248 5.660 -13.993 1.00 0.00 H new ATOM 1542 N GLU B 18 5.969 8.291 -12.431 1.00 0.00 N ATOM 1543 CA GLU B 18 6.783 9.474 -12.548 1.00 0.00 C ATOM 1544 C GLU B 18 7.638 9.633 -11.292 1.00 0.00 C ATOM 1545 O GLU B 18 8.870 9.549 -11.341 1.00 0.00 O ATOM 1546 CB GLU B 18 5.913 10.713 -12.763 1.00 0.00 C ATOM 1547 CG GLU B 18 6.708 11.959 -13.119 1.00 0.00 C ATOM 1548 CD GLU B 18 7.423 12.557 -11.923 1.00 0.00 C ATOM 1549 OE1 GLU B 18 8.645 12.333 -11.789 1.00 0.00 O ATOM 1550 OE2 GLU B 18 6.762 13.249 -11.121 1.00 0.00 O ATOM 0 H GLU B 18 4.979 8.422 -12.640 1.00 0.00 H new ATOM 0 HA GLU B 18 7.435 9.368 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU B 18 5.196 10.510 -13.558 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.338 10.905 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU B 18 7.440 11.711 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.037 12.704 -13.546 1.00 0.00 H new ATOM 1557 N ASP B 19 6.970 9.825 -10.160 1.00 0.00 N ATOM 1558 CA ASP B 19 7.667 9.980 -8.891 1.00 0.00 C ATOM 1559 C ASP B 19 7.976 8.632 -8.259 1.00 0.00 C ATOM 1560 O ASP B 19 9.091 8.404 -7.791 1.00 0.00 O ATOM 1561 CB ASP B 19 6.842 10.835 -7.927 1.00 0.00 C ATOM 1562 CG ASP B 19 7.153 12.313 -8.053 1.00 0.00 C ATOM 1563 OD1 ASP B 19 6.223 13.131 -7.895 1.00 0.00 O ATOM 1564 OD2 ASP B 19 8.327 12.652 -8.309 1.00 0.00 O ATOM 0 H ASP B 19 5.953 9.877 -10.096 1.00 0.00 H new ATOM 0 HA ASP B 19 8.612 10.484 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.781 10.672 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP B 19 7.034 10.512 -6.904 1.00 0.00 H new ATOM 1569 N VAL B 20 6.996 7.738 -8.243 1.00 0.00 N ATOM 1570 CA VAL B 20 7.208 6.427 -7.658 1.00 0.00 C ATOM 1571 C VAL B 20 8.271 5.657 -8.436 1.00 0.00 C ATOM 1572 O VAL B 20 9.192 5.112 -7.842 1.00 0.00 O ATOM 1573 CB VAL B 20 5.904 5.603 -7.568 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.806 6.418 -6.904 1.00 0.00 C ATOM 1575 CG2 VAL B 20 5.457 5.130 -8.937 1.00 0.00 C ATOM 0 H VAL B 20 6.062 7.895 -8.622 1.00 0.00 H new ATOM 0 HA VAL B 20 7.558 6.587 -6.638 1.00 0.00 H new ATOM 0 HB VAL B 20 6.105 4.722 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.894 5.823 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL B 20 5.118 6.698 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.617 7.318 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.537 4.553 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.279 5.992 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.233 4.504 -9.377 1.00 0.00 H new ATOM 1585 N TYR B 21 8.168 5.630 -9.767 1.00 0.00 N ATOM 1586 CA TYR B 21 9.166 4.926 -10.573 1.00 0.00 C ATOM 1587 C TYR B 21 10.539 5.556 -10.377 1.00 0.00 C ATOM 1588 O TYR B 21 11.528 4.842 -10.208 1.00 0.00 O ATOM 1589 CB TYR B 21 8.802 4.898 -12.065 1.00 0.00 C ATOM 1590 CG TYR B 21 9.356 3.696 -12.798 1.00 0.00 C ATOM 1591 CD1 TYR B 21 10.641 3.712 -13.324 1.00 0.00 C ATOM 1592 CD2 TYR B 21 8.594 2.547 -12.962 1.00 0.00 C ATOM 1593 CE1 TYR B 21 11.151 2.616 -13.994 1.00 0.00 C ATOM 1594 CE2 TYR B 21 9.097 1.447 -13.631 1.00 0.00 C ATOM 1595 CZ TYR B 21 10.376 1.486 -14.145 1.00 0.00 C ATOM 1596 OH TYR B 21 10.880 0.393 -14.812 1.00 0.00 O ATOM 0 H TYR B 21 7.421 6.077 -10.299 1.00 0.00 H new ATOM 0 HA TYR B 21 9.187 3.892 -10.229 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.717 4.907 -12.166 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.174 5.806 -12.539 1.00 0.00 H new ATOM 0 HD1 TYR B 21 11.252 4.595 -13.208 1.00 0.00 H new ATOM 0 HD2 TYR B 21 7.592 2.512 -12.560 1.00 0.00 H new ATOM 0 HE1 TYR B 21 12.152 2.645 -14.398 1.00 0.00 H new ATOM 0 HE2 TYR B 21 8.491 0.561 -13.751 1.00 0.00 H new ATOM 0 HH TYR B 21 10.207 -0.319 -14.829 1.00 0.00 H new ATOM 1606 N HIS B 22 10.612 6.893 -10.380 1.00 0.00 N ATOM 1607 CA HIS B 22 11.894 7.554 -10.177 1.00 0.00 C ATOM 1608 C HIS B 22 12.394 7.300 -8.761 1.00 0.00 C ATOM 1609 O HIS B 22 13.542 6.899 -8.564 1.00 0.00 O ATOM 1610 CB HIS B 22 11.780 9.057 -10.441 1.00 0.00 C ATOM 1611 CG HIS B 22 11.930 9.424 -11.885 1.00 0.00 C ATOM 1612 ND1 HIS B 22 12.762 8.746 -12.751 1.00 0.00 N ATOM 1613 CD2 HIS B 22 11.347 10.403 -12.616 1.00 0.00 C ATOM 1614 CE1 HIS B 22 12.685 9.294 -13.952 1.00 0.00 C ATOM 1615 NE2 HIS B 22 11.833 10.299 -13.896 1.00 0.00 N ATOM 0 H HIS B 22 9.818 7.519 -10.517 1.00 0.00 H new ATOM 0 HA HIS B 22 12.612 7.140 -10.885 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.812 9.408 -10.084 1.00 0.00 H new ATOM 0 HB3 HIS B 22 12.542 9.578 -9.861 1.00 0.00 H new ATOM 0 HD2 HIS B 22 10.633 11.130 -12.259 1.00 0.00 H new ATOM 0 HE1 HIS B 22 13.227 8.973 -14.829 1.00 0.00 H new ATOM 0 HE2 HIS B 22 11.576 10.902 -14.678 1.00 0.00 H new ATOM 1624 N THR B 23 11.525 7.506 -7.775 1.00 0.00 N ATOM 1625 CA THR B 23 11.898 7.263 -6.387 1.00 0.00 C ATOM 1626 C THR B 23 12.257 5.794 -6.207 1.00 0.00 C ATOM 1627 O THR B 23 13.213 5.450 -5.514 1.00 0.00 O ATOM 1628 CB THR B 23 10.766 7.638 -5.438 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.574 6.954 -5.780 1.00 0.00 O ATOM 1630 CG2 THR B 23 10.461 9.120 -5.421 1.00 0.00 C ATOM 0 H THR B 23 10.569 7.837 -7.909 1.00 0.00 H new ATOM 0 HA THR B 23 12.760 7.886 -6.148 1.00 0.00 H new ATOM 0 HB THR B 23 11.115 7.347 -4.447 1.00 0.00 H new ATOM 0 HG1 THR B 23 9.000 7.543 -6.313 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.646 9.316 -4.725 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.347 9.670 -5.106 1.00 0.00 H new ATOM 0 HG23 THR B 23 10.170 9.443 -6.420 1.00 0.00 H new ATOM 1638 N LEU B 24 11.491 4.929 -6.865 1.00 0.00 N ATOM 1639 CA LEU B 24 11.737 3.497 -6.810 1.00 0.00 C ATOM 1640 C LEU B 24 13.144 3.188 -7.307 1.00 0.00 C ATOM 1641 O LEU B 24 13.682 2.112 -7.051 1.00 0.00 O ATOM 1642 CB LEU B 24 10.708 2.735 -7.653 1.00 0.00 C ATOM 1643 CG LEU B 24 9.588 2.061 -6.857 1.00 0.00 C ATOM 1644 CD1 LEU B 24 10.163 1.237 -5.720 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.611 3.092 -6.316 1.00 0.00 C ATOM 0 H LEU B 24 10.694 5.198 -7.442 1.00 0.00 H new ATOM 0 HA LEU B 24 11.643 3.174 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU B 24 10.260 3.428 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.229 1.974 -8.233 1.00 0.00 H new ATOM 0 HG LEU B 24 9.048 1.397 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.351 0.766 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.821 0.468 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.730 1.885 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.824 2.588 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.139 3.784 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.168 3.644 -7.145 1.00 0.00 H new ATOM 1657 N LYS B 25 13.730 4.137 -8.035 1.00 0.00 N ATOM 1658 CA LYS B 25 15.061 3.957 -8.582 1.00 0.00 C ATOM 1659 C LYS B 25 16.131 3.923 -7.490 1.00 0.00 C ATOM 1660 O LYS B 25 17.041 3.094 -7.541 1.00 0.00 O ATOM 1661 CB LYS B 25 15.365 5.040 -9.630 1.00 0.00 C ATOM 1662 CG LYS B 25 16.178 6.221 -9.114 1.00 0.00 C ATOM 1663 CD LYS B 25 17.671 5.951 -9.212 1.00 0.00 C ATOM 1664 CE LYS B 25 18.461 6.800 -8.228 1.00 0.00 C ATOM 1665 NZ LYS B 25 18.046 8.230 -8.268 1.00 0.00 N ATOM 0 H LYS B 25 13.300 5.035 -8.256 1.00 0.00 H new ATOM 0 HA LYS B 25 15.086 2.985 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.903 4.582 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.422 5.413 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.930 7.114 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.911 6.424 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS B 25 17.864 4.896 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS B 25 18.012 6.157 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS B 25 18.322 6.410 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS B 25 19.524 6.724 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 18.585 8.768 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 18.233 8.620 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 17.030 8.303 -8.059 1.00 0.00 H new ATOM 1679 N LEU B 26 16.026 4.805 -6.496 1.00 0.00 N ATOM 1680 CA LEU B 26 17.010 4.810 -5.418 1.00 0.00 C ATOM 1681 C LEU B 26 16.738 3.649 -4.482 1.00 0.00 C ATOM 1682 O LEU B 26 17.643 2.910 -4.113 1.00 0.00 O ATOM 1683 CB LEU B 26 17.018 6.124 -4.634 1.00 0.00 C ATOM 1684 CG LEU B 26 16.487 7.339 -5.383 1.00 0.00 C ATOM 1685 CD1 LEU B 26 14.987 7.418 -5.214 1.00 0.00 C ATOM 1686 CD2 LEU B 26 17.158 8.611 -4.886 1.00 0.00 C ATOM 0 H LEU B 26 15.290 5.507 -6.416 1.00 0.00 H new ATOM 0 HA LEU B 26 17.995 4.706 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU B 26 16.426 5.990 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU B 26 18.040 6.332 -4.318 1.00 0.00 H new ATOM 0 HG LEU B 26 16.718 7.236 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.606 8.287 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU B 26 14.528 6.515 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.744 7.509 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU B 26 16.765 9.468 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.957 8.737 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU B 26 18.234 8.541 -5.046 1.00 0.00 H new ATOM 1698 N VAL B 27 15.474 3.488 -4.118 1.00 0.00 N ATOM 1699 CA VAL B 27 15.064 2.398 -3.239 1.00 0.00 C ATOM 1700 C VAL B 27 15.382 1.058 -3.861 1.00 0.00 C ATOM 1701 O VAL B 27 15.819 0.139 -3.179 1.00 0.00 O ATOM 1702 CB VAL B 27 13.561 2.423 -2.919 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.309 2.928 -1.513 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.819 3.256 -3.917 1.00 0.00 C ATOM 0 H VAL B 27 14.713 4.098 -4.417 1.00 0.00 H new ATOM 0 HA VAL B 27 15.623 2.540 -2.314 1.00 0.00 H new ATOM 0 HB VAL B 27 13.191 1.400 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL B 27 12.237 2.935 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.806 2.274 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.702 3.940 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.757 3.259 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL B 27 13.200 4.277 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL B 27 12.959 2.839 -4.914 1.00 0.00 H new ATOM 1714 N SER B 28 15.141 0.933 -5.154 1.00 0.00 N ATOM 1715 CA SER B 28 15.399 -0.330 -5.812 1.00 0.00 C ATOM 1716 C SER B 28 16.884 -0.663 -5.785 1.00 0.00 C ATOM 1717 O SER B 28 17.269 -1.809 -5.543 1.00 0.00 O ATOM 1718 CB SER B 28 14.876 -0.317 -7.249 1.00 0.00 C ATOM 1719 OG SER B 28 15.140 -1.549 -7.899 1.00 0.00 O ATOM 0 H SER B 28 14.776 1.672 -5.755 1.00 0.00 H new ATOM 0 HA SER B 28 14.865 -1.107 -5.264 1.00 0.00 H new ATOM 0 HB2 SER B 28 13.803 -0.126 -7.247 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.344 0.497 -7.802 1.00 0.00 H new ATOM 0 HG SER B 28 14.695 -2.276 -7.416 1.00 0.00 H new ATOM 1725 N VAL B 29 17.711 0.347 -6.022 1.00 0.00 N ATOM 1726 CA VAL B 29 19.154 0.177 -6.020 1.00 0.00 C ATOM 1727 C VAL B 29 19.678 0.100 -4.591 1.00 0.00 C ATOM 1728 O VAL B 29 20.507 -0.749 -4.260 1.00 0.00 O ATOM 1729 CB VAL B 29 19.824 1.350 -6.773 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.698 2.194 -5.856 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.622 0.842 -7.964 1.00 0.00 C ATOM 0 H VAL B 29 17.402 1.299 -6.219 1.00 0.00 H new ATOM 0 HA VAL B 29 19.398 -0.756 -6.528 1.00 0.00 H new ATOM 0 HB VAL B 29 19.026 1.995 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL B 29 21.148 3.006 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL B 29 20.088 2.610 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.484 1.572 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL B 29 21.084 1.685 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.397 0.159 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL B 29 19.957 0.318 -8.651 1.00 0.00 H new ATOM 1741 N TYR B 30 19.193 1.010 -3.761 1.00 0.00 N ATOM 1742 CA TYR B 30 19.607 1.080 -2.366 1.00 0.00 C ATOM 1743 C TYR B 30 19.000 -0.046 -1.537 1.00 0.00 C ATOM 1744 O TYR B 30 19.565 -0.439 -0.516 1.00 0.00 O ATOM 1745 CB TYR B 30 19.219 2.430 -1.760 1.00 0.00 C ATOM 1746 CG TYR B 30 20.092 3.576 -2.220 1.00 0.00 C ATOM 1747 CD1 TYR B 30 21.473 3.517 -2.087 1.00 0.00 C ATOM 1748 CD2 TYR B 30 19.536 4.716 -2.788 1.00 0.00 C ATOM 1749 CE1 TYR B 30 22.276 4.562 -2.504 1.00 0.00 C ATOM 1750 CE2 TYR B 30 20.332 5.764 -3.208 1.00 0.00 C ATOM 1751 CZ TYR B 30 21.701 5.683 -3.064 1.00 0.00 C ATOM 1752 OH TYR B 30 22.497 6.723 -3.481 1.00 0.00 O ATOM 0 H TYR B 30 18.507 1.716 -4.031 1.00 0.00 H new ATOM 0 HA TYR B 30 20.691 0.969 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR B 30 18.182 2.649 -2.016 1.00 0.00 H new ATOM 0 HB3 TYR B 30 19.271 2.359 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR B 30 21.927 2.640 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR B 30 18.464 4.784 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR B 30 23.348 4.501 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR B 30 19.884 6.643 -3.647 1.00 0.00 H new ATOM 0 HH TYR B 30 21.936 7.435 -3.853 1.00 0.00 H new ATOM 1762 N LEU B 31 17.852 -0.571 -1.964 1.00 0.00 N ATOM 1763 CA LEU B 31 17.210 -1.650 -1.226 1.00 0.00 C ATOM 1764 C LEU B 31 17.292 -2.963 -2.002 1.00 0.00 C ATOM 1765 O LEU B 31 16.787 -3.990 -1.548 1.00 0.00 O ATOM 1766 CB LEU B 31 15.738 -1.317 -0.920 1.00 0.00 C ATOM 1767 CG LEU B 31 15.428 0.119 -0.443 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.340 0.099 0.620 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.667 0.827 0.093 1.00 0.00 C ATOM 0 H LEU B 31 17.357 -0.271 -2.804 1.00 0.00 H new ATOM 0 HA LEU B 31 17.744 -1.763 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.153 -1.509 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.385 -2.011 -0.157 1.00 0.00 H new ATOM 0 HG LEU B 31 15.079 0.679 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.132 1.118 0.947 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.433 -0.341 0.205 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.674 -0.494 1.471 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.400 1.833 0.416 1.00 0.00 H new ATOM 0 HD22 LEU B 31 17.068 0.268 0.939 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.420 0.886 -0.692 1.00 0.00 H new ATOM 1781 N ASN B 32 17.927 -2.928 -3.177 1.00 0.00 N ATOM 1782 CA ASN B 32 18.061 -4.120 -4.007 1.00 0.00 C ATOM 1783 C ASN B 32 16.713 -4.814 -4.146 1.00 0.00 C ATOM 1784 O ASN B 32 16.627 -6.041 -4.164 1.00 0.00 O ATOM 1785 CB ASN B 32 19.088 -5.080 -3.402 1.00 0.00 C ATOM 1786 CG ASN B 32 20.482 -4.860 -3.957 1.00 0.00 C ATOM 1787 OD1 ASN B 32 20.957 -3.729 -4.042 1.00 0.00 O ATOM 1788 ND2 ASN B 32 21.146 -5.947 -4.338 1.00 0.00 N ATOM 0 H ASN B 32 18.353 -2.089 -3.570 1.00 0.00 H new ATOM 0 HA ASN B 32 18.408 -3.819 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN B 32 19.107 -4.953 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN B 32 18.780 -6.107 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN B 32 22.088 -5.862 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN B 32 20.713 -6.866 -4.250 1.00 0.00 H new ATOM 1795 N ARG B 33 15.662 -4.006 -4.225 1.00 0.00 N ATOM 1796 CA ARG B 33 14.305 -4.527 -4.340 1.00 0.00 C ATOM 1797 C ARG B 33 13.585 -3.942 -5.546 1.00 0.00 C ATOM 1798 O ARG B 33 13.591 -2.730 -5.754 1.00 0.00 O ATOM 1799 CB ARG B 33 13.514 -4.199 -3.072 1.00 0.00 C ATOM 1800 CG ARG B 33 14.022 -4.918 -1.835 1.00 0.00 C ATOM 1801 CD ARG B 33 12.881 -5.531 -1.040 1.00 0.00 C ATOM 1802 NE ARG B 33 13.341 -6.621 -0.181 1.00 0.00 N ATOM 1803 CZ ARG B 33 12.574 -7.639 0.205 1.00 0.00 C ATOM 1804 NH1 ARG B 33 11.305 -7.709 -0.177 1.00 0.00 N ATOM 1805 NH2 ARG B 33 13.079 -8.591 0.979 1.00 0.00 N ATOM 0 H ARG B 33 15.723 -2.988 -4.212 1.00 0.00 H new ATOM 0 HA ARG B 33 14.372 -5.607 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG B 33 13.552 -3.124 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.467 -4.460 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG B 33 14.723 -5.699 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG B 33 14.571 -4.218 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG B 33 12.409 -4.761 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG B 33 12.120 -5.905 -1.725 1.00 0.00 H new ATOM 0 HE ARG B 33 14.308 -6.601 0.142 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.910 -6.980 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG B 33 10.725 -8.492 0.123 1.00 0.00 H new ATOM 0 HH21 ARG B 33 14.053 -8.542 1.277 1.00 0.00 H new ATOM 0 HH22 ARG B 33 12.493 -9.371 1.276 1.00 0.00 H new ATOM 1819 N ASP B 34 12.942 -4.803 -6.329 1.00 0.00 N ATOM 1820 CA ASP B 34 12.197 -4.344 -7.492 1.00 0.00 C ATOM 1821 C ASP B 34 11.212 -3.263 -7.067 1.00 0.00 C ATOM 1822 O ASP B 34 10.929 -3.113 -5.878 1.00 0.00 O ATOM 1823 CB ASP B 34 11.459 -5.506 -8.162 1.00 0.00 C ATOM 1824 CG ASP B 34 10.736 -6.387 -7.164 1.00 0.00 C ATOM 1825 OD1 ASP B 34 9.504 -6.238 -7.024 1.00 0.00 O ATOM 1826 OD2 ASP B 34 11.401 -7.228 -6.523 1.00 0.00 O ATOM 0 H ASP B 34 12.922 -5.812 -6.180 1.00 0.00 H new ATOM 0 HA ASP B 34 12.897 -3.931 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP B 34 10.740 -5.110 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP B 34 12.172 -6.109 -8.724 1.00 0.00 H new ATOM 1831 N MET B 35 10.703 -2.502 -8.022 1.00 0.00 N ATOM 1832 CA MET B 35 9.772 -1.439 -7.709 1.00 0.00 C ATOM 1833 C MET B 35 8.510 -1.996 -7.049 1.00 0.00 C ATOM 1834 O MET B 35 7.934 -1.366 -6.163 1.00 0.00 O ATOM 1835 CB MET B 35 9.434 -0.654 -8.981 1.00 0.00 C ATOM 1836 CG MET B 35 7.969 -0.295 -9.102 1.00 0.00 C ATOM 1837 SD MET B 35 7.626 0.787 -10.503 1.00 0.00 S ATOM 1838 CE MET B 35 6.106 1.565 -9.963 1.00 0.00 C ATOM 0 H MET B 35 10.919 -2.602 -9.014 1.00 0.00 H new ATOM 0 HA MET B 35 10.239 -0.759 -6.996 1.00 0.00 H new ATOM 0 HB2 MET B 35 10.026 0.261 -9.001 1.00 0.00 H new ATOM 0 HB3 MET B 35 9.728 -1.243 -9.850 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.383 -1.209 -9.203 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.643 0.193 -8.184 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.979 2.515 -10.482 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.263 0.913 -10.190 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.149 1.741 -8.888 1.00 0.00 H new ATOM 1848 N THR B 36 8.086 -3.176 -7.484 1.00 0.00 N ATOM 1849 CA THR B 36 6.891 -3.807 -6.933 1.00 0.00 C ATOM 1850 C THR B 36 7.101 -4.199 -5.472 1.00 0.00 C ATOM 1851 O THR B 36 6.210 -4.026 -4.641 1.00 0.00 O ATOM 1852 CB THR B 36 6.509 -5.046 -7.761 1.00 0.00 C ATOM 1853 OG1 THR B 36 7.514 -5.338 -8.716 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.197 -4.908 -8.511 1.00 0.00 C ATOM 0 H THR B 36 8.550 -3.715 -8.215 1.00 0.00 H new ATOM 0 HA THR B 36 6.077 -3.083 -6.980 1.00 0.00 H new ATOM 0 HB THR B 36 6.401 -5.847 -7.030 1.00 0.00 H new ATOM 0 HG1 THR B 36 8.306 -5.692 -8.260 1.00 0.00 H new ATOM 0 HG21 THR B 36 4.999 -5.823 -9.070 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.388 -4.735 -7.801 1.00 0.00 H new ATOM 0 HG23 THR B 36 5.259 -4.067 -9.202 1.00 0.00 H new ATOM 1862 N GLU B 37 8.278 -4.731 -5.164 1.00 0.00 N ATOM 1863 CA GLU B 37 8.590 -5.146 -3.802 1.00 0.00 C ATOM 1864 C GLU B 37 8.735 -3.941 -2.879 1.00 0.00 C ATOM 1865 O GLU B 37 8.389 -4.005 -1.702 1.00 0.00 O ATOM 1866 CB GLU B 37 9.872 -5.981 -3.779 1.00 0.00 C ATOM 1867 CG GLU B 37 9.739 -7.277 -2.997 1.00 0.00 C ATOM 1868 CD GLU B 37 9.024 -8.360 -3.781 1.00 0.00 C ATOM 1869 OE1 GLU B 37 7.807 -8.213 -4.020 1.00 0.00 O ATOM 1870 OE2 GLU B 37 9.681 -9.354 -4.156 1.00 0.00 O ATOM 0 H GLU B 37 9.029 -4.885 -5.836 1.00 0.00 H new ATOM 0 HA GLU B 37 7.762 -5.756 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.163 -6.213 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU B 37 10.676 -5.386 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU B 37 10.731 -7.631 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.196 -7.085 -2.072 1.00 0.00 H new ATOM 1877 N ILE B 38 9.256 -2.843 -3.420 1.00 0.00 N ATOM 1878 CA ILE B 38 9.453 -1.628 -2.639 1.00 0.00 C ATOM 1879 C ILE B 38 8.155 -0.829 -2.503 1.00 0.00 C ATOM 1880 O ILE B 38 7.835 -0.350 -1.415 1.00 0.00 O ATOM 1881 CB ILE B 38 10.532 -0.720 -3.272 1.00 0.00 C ATOM 1882 CG1 ILE B 38 11.950 -1.240 -2.998 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.414 0.704 -2.756 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.189 -1.629 -1.555 1.00 0.00 C ATOM 0 H ILE B 38 9.549 -2.771 -4.394 1.00 0.00 H new ATOM 0 HA ILE B 38 9.782 -1.947 -1.650 1.00 0.00 H new ATOM 0 HB ILE B 38 10.360 -0.733 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.139 -2.105 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.670 -0.472 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.184 1.323 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.431 1.102 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.542 0.711 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.212 -1.987 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.033 -0.762 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE B 38 11.494 -2.419 -1.271 1.00 0.00 H new ATOM 1896 N ILE B 39 7.411 -0.670 -3.601 1.00 0.00 N ATOM 1897 CA ILE B 39 6.169 0.094 -3.546 1.00 0.00 C ATOM 1898 C ILE B 39 5.202 -0.537 -2.558 1.00 0.00 C ATOM 1899 O ILE B 39 4.477 0.159 -1.847 1.00 0.00 O ATOM 1900 CB ILE B 39 5.484 0.211 -4.923 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.019 -1.159 -5.416 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.418 0.856 -5.931 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.516 -1.330 -5.373 1.00 0.00 C ATOM 0 H ILE B 39 7.642 -1.052 -4.518 1.00 0.00 H new ATOM 0 HA ILE B 39 6.436 1.099 -3.220 1.00 0.00 H new ATOM 0 HB ILE B 39 4.606 0.847 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.366 -1.307 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.484 -1.934 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.917 0.930 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.692 1.853 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.317 0.249 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.252 -2.323 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.166 -1.213 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.046 -0.576 -6.005 1.00 0.00 H new ATOM 1915 N GLU B 40 5.206 -1.862 -2.513 1.00 0.00 N ATOM 1916 CA GLU B 40 4.342 -2.590 -1.607 1.00 0.00 C ATOM 1917 C GLU B 40 4.987 -2.707 -0.235 1.00 0.00 C ATOM 1918 O GLU B 40 4.297 -2.876 0.771 1.00 0.00 O ATOM 1919 CB GLU B 40 4.032 -3.978 -2.158 1.00 0.00 C ATOM 1920 CG GLU B 40 3.533 -3.963 -3.589 1.00 0.00 C ATOM 1921 CD GLU B 40 2.100 -3.481 -3.704 1.00 0.00 C ATOM 1922 OE1 GLU B 40 1.368 -3.999 -4.574 1.00 0.00 O ATOM 1923 OE2 GLU B 40 1.709 -2.588 -2.924 1.00 0.00 O ATOM 0 H GLU B 40 5.800 -2.451 -3.096 1.00 0.00 H new ATOM 0 HA GLU B 40 3.408 -2.037 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.931 -4.592 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU B 40 3.282 -4.452 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.178 -3.319 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.609 -4.967 -4.006 1.00 0.00 H new ATOM 1930 N GLU B 41 6.312 -2.602 -0.188 1.00 0.00 N ATOM 1931 CA GLU B 41 7.016 -2.682 1.080 1.00 0.00 C ATOM 1932 C GLU B 41 6.945 -1.337 1.788 1.00 0.00 C ATOM 1933 O GLU B 41 6.911 -1.265 3.017 1.00 0.00 O ATOM 1934 CB GLU B 41 8.475 -3.096 0.866 1.00 0.00 C ATOM 1935 CG GLU B 41 9.322 -3.045 2.129 1.00 0.00 C ATOM 1936 CD GLU B 41 10.801 -2.896 1.833 1.00 0.00 C ATOM 1937 OE1 GLU B 41 11.612 -3.565 2.507 1.00 0.00 O ATOM 1938 OE2 GLU B 41 11.148 -2.109 0.928 1.00 0.00 O ATOM 0 H GLU B 41 6.910 -2.463 -1.003 1.00 0.00 H new ATOM 0 HA GLU B 41 6.538 -3.440 1.701 1.00 0.00 H new ATOM 0 HB2 GLU B 41 8.500 -4.109 0.464 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.921 -2.444 0.115 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.993 -2.211 2.749 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.161 -3.955 2.707 1.00 0.00 H new ATOM 1945 N ALA B 42 6.908 -0.272 0.994 1.00 0.00 N ATOM 1946 CA ALA B 42 6.828 1.076 1.533 1.00 0.00 C ATOM 1947 C ALA B 42 5.428 1.360 2.059 1.00 0.00 C ATOM 1948 O ALA B 42 5.260 1.952 3.124 1.00 0.00 O ATOM 1949 CB ALA B 42 7.206 2.090 0.465 1.00 0.00 C ATOM 0 H ALA B 42 6.932 -0.319 -0.025 1.00 0.00 H new ATOM 0 HA ALA B 42 7.530 1.160 2.362 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.143 3.096 0.880 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.225 1.900 0.127 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.522 2.002 -0.379 1.00 0.00 H new ATOM 1955 N VAL B 43 4.429 0.939 1.295 1.00 0.00 N ATOM 1956 CA VAL B 43 3.033 1.149 1.665 1.00 0.00 C ATOM 1957 C VAL B 43 2.687 0.482 2.980 1.00 0.00 C ATOM 1958 O VAL B 43 2.307 1.138 3.949 1.00 0.00 O ATOM 1959 CB VAL B 43 2.071 0.590 0.586 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.445 -0.813 0.175 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.640 0.598 1.084 1.00 0.00 C ATOM 0 H VAL B 43 4.559 0.448 0.411 1.00 0.00 H new ATOM 0 HA VAL B 43 2.910 2.228 1.758 1.00 0.00 H new ATOM 0 HB VAL B 43 2.159 1.241 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL B 43 1.747 -1.169 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.456 -0.815 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.403 -1.470 1.044 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -0.017 0.201 0.310 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.562 -0.021 1.978 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.344 1.619 1.323 1.00 0.00 H new ATOM 1971 N VAL B 44 2.797 -0.827 2.988 1.00 0.00 N ATOM 1972 CA VAL B 44 2.476 -1.617 4.156 1.00 0.00 C ATOM 1973 C VAL B 44 3.286 -1.164 5.358 1.00 0.00 C ATOM 1974 O VAL B 44 2.743 -0.944 6.437 1.00 0.00 O ATOM 1975 CB VAL B 44 2.715 -3.111 3.868 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.193 -3.859 5.108 1.00 0.00 C ATOM 1977 CG2 VAL B 44 1.460 -3.755 3.300 1.00 0.00 C ATOM 0 H VAL B 44 3.111 -1.374 2.186 1.00 0.00 H new ATOM 0 HA VAL B 44 1.422 -1.472 4.391 1.00 0.00 H new ATOM 0 HB VAL B 44 3.508 -3.178 3.123 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.350 -4.909 4.862 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.130 -3.424 5.456 1.00 0.00 H new ATOM 0 HG13 VAL B 44 2.442 -3.779 5.894 1.00 0.00 H new ATOM 0 HG21 VAL B 44 1.650 -4.810 3.103 1.00 0.00 H new ATOM 0 HG22 VAL B 44 0.646 -3.660 4.018 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.184 -3.257 2.371 1.00 0.00 H new ATOM 1987 N MET B 45 4.586 -1.020 5.166 1.00 0.00 N ATOM 1988 CA MET B 45 5.456 -0.591 6.245 1.00 0.00 C ATOM 1989 C MET B 45 5.031 0.771 6.779 1.00 0.00 C ATOM 1990 O MET B 45 5.196 1.052 7.966 1.00 0.00 O ATOM 1991 CB MET B 45 6.911 -0.540 5.780 1.00 0.00 C ATOM 1992 CG MET B 45 7.900 -0.347 6.918 1.00 0.00 C ATOM 1993 SD MET B 45 8.082 1.383 7.392 1.00 0.00 S ATOM 1994 CE MET B 45 8.858 1.213 8.998 1.00 0.00 C ATOM 0 H MET B 45 5.059 -1.193 4.279 1.00 0.00 H new ATOM 0 HA MET B 45 5.371 -1.321 7.050 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.149 -1.464 5.254 1.00 0.00 H new ATOM 0 HB3 MET B 45 7.028 0.274 5.064 1.00 0.00 H new ATOM 0 HG2 MET B 45 7.571 -0.924 7.782 1.00 0.00 H new ATOM 0 HG3 MET B 45 8.871 -0.743 6.621 1.00 0.00 H new ATOM 0 HE1 MET B 45 9.602 1.999 9.128 1.00 0.00 H new ATOM 0 HE2 MET B 45 8.102 1.296 9.778 1.00 0.00 H new ATOM 0 HE3 MET B 45 9.344 0.240 9.066 1.00 0.00 H new ATOM 2004 N TRP B 46 4.470 1.618 5.913 1.00 0.00 N ATOM 2005 CA TRP B 46 4.027 2.932 6.354 1.00 0.00 C ATOM 2006 C TRP B 46 2.811 2.796 7.255 1.00 0.00 C ATOM 2007 O TRP B 46 2.790 3.316 8.370 1.00 0.00 O ATOM 2008 CB TRP B 46 3.705 3.834 5.161 1.00 0.00 C ATOM 2009 CG TRP B 46 4.002 5.281 5.417 1.00 0.00 C ATOM 2010 CD1 TRP B 46 5.120 5.967 5.041 1.00 0.00 C ATOM 2011 CD2 TRP B 46 3.170 6.217 6.112 1.00 0.00 C ATOM 2012 NE1 TRP B 46 5.033 7.274 5.457 1.00 0.00 N ATOM 2013 CE2 TRP B 46 3.845 7.452 6.117 1.00 0.00 C ATOM 2014 CE3 TRP B 46 1.918 6.132 6.730 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 3.311 8.590 6.714 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 1.389 7.262 7.322 1.00 0.00 C ATOM 2017 CH2 TRP B 46 2.086 8.478 7.311 1.00 0.00 C ATOM 0 H TRP B 46 4.316 1.419 4.924 1.00 0.00 H new ATOM 0 HA TRP B 46 4.838 3.395 6.917 1.00 0.00 H new ATOM 0 HB2 TRP B 46 4.278 3.500 4.296 1.00 0.00 H new ATOM 0 HB3 TRP B 46 2.651 3.726 4.906 1.00 0.00 H new ATOM 0 HD1 TRP B 46 5.951 5.545 4.496 1.00 0.00 H new ATOM 0 HE1 TRP B 46 5.738 7.994 5.300 1.00 0.00 H new ATOM 0 HE3 TRP B 46 1.374 5.199 6.744 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 3.845 9.529 6.706 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 0.423 7.208 7.801 1.00 0.00 H new ATOM 0 HH2 TRP B 46 1.647 9.344 7.784 1.00 0.00 H new ATOM 2028 N LEU B 47 1.806 2.077 6.774 1.00 0.00 N ATOM 2029 CA LEU B 47 0.599 1.859 7.558 1.00 0.00 C ATOM 2030 C LEU B 47 0.927 1.107 8.827 1.00 0.00 C ATOM 2031 O LEU B 47 0.443 1.428 9.906 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.443 1.043 6.792 1.00 0.00 C ATOM 2033 CG LEU B 47 0.096 0.002 5.809 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.067 -1.373 6.453 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.716 0.009 4.523 1.00 0.00 C ATOM 0 H LEU B 47 1.802 1.638 5.853 1.00 0.00 H new ATOM 0 HA LEU B 47 0.191 2.845 7.781 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -1.077 0.532 7.517 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.081 1.734 6.242 1.00 0.00 H new ATOM 0 HG LEU B 47 1.126 0.253 5.557 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.452 -2.112 5.750 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.687 -1.368 7.350 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.958 -1.627 6.722 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.317 -0.738 3.837 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.757 -0.224 4.748 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.657 0.994 4.061 1.00 0.00 H new ATOM 2047 N ILE B 48 1.736 0.081 8.677 1.00 0.00 N ATOM 2048 CA ILE B 48 2.112 -0.747 9.790 1.00 0.00 C ATOM 2049 C ILE B 48 2.801 0.055 10.878 1.00 0.00 C ATOM 2050 O ILE B 48 2.566 -0.168 12.066 1.00 0.00 O ATOM 2051 CB ILE B 48 3.009 -1.898 9.310 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.267 -3.207 9.483 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.337 -1.920 10.047 1.00 0.00 C ATOM 2054 CD1 ILE B 48 0.979 -3.285 8.689 1.00 0.00 C ATOM 0 H ILE B 48 2.146 -0.197 7.785 1.00 0.00 H new ATOM 0 HA ILE B 48 1.202 -1.163 10.223 1.00 0.00 H new ATOM 0 HB ILE B 48 3.240 -1.748 8.255 1.00 0.00 H new ATOM 0 HG12 ILE B 48 2.919 -4.027 9.182 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.042 -3.350 10.540 1.00 0.00 H new ATOM 0 HG21 ILE B 48 4.943 -2.748 9.680 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.863 -0.981 9.876 1.00 0.00 H new ATOM 0 HG23 ILE B 48 4.158 -2.047 11.115 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.503 -4.250 8.862 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.308 -2.487 9.006 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.199 -3.174 7.627 1.00 0.00 H new ATOM 2066 N GLN B 49 3.653 0.983 10.478 1.00 0.00 N ATOM 2067 CA GLN B 49 4.362 1.793 11.444 1.00 0.00 C ATOM 2068 C GLN B 49 3.510 2.975 11.906 1.00 0.00 C ATOM 2069 O GLN B 49 3.718 3.511 12.994 1.00 0.00 O ATOM 2070 CB GLN B 49 5.683 2.293 10.856 1.00 0.00 C ATOM 2071 CG GLN B 49 5.513 3.400 9.826 1.00 0.00 C ATOM 2072 CD GLN B 49 6.837 3.925 9.308 1.00 0.00 C ATOM 2073 OE1 GLN B 49 7.896 3.630 9.864 1.00 0.00 O ATOM 2074 NE2 GLN B 49 6.785 4.708 8.237 1.00 0.00 N ATOM 0 H GLN B 49 3.867 1.190 9.502 1.00 0.00 H new ATOM 0 HA GLN B 49 4.575 1.168 12.311 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.317 2.656 11.665 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.205 1.455 10.394 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.923 3.025 8.990 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.950 4.221 10.270 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.886 4.927 7.808 1.00 0.00 H new ATOM 0 HE22 GLN B 49 7.644 5.091 7.843 1.00 0.00 H new ATOM 2083 N ASN B 50 2.569 3.395 11.062 1.00 0.00 N ATOM 2084 CA ASN B 50 1.713 4.537 11.385 1.00 0.00 C ATOM 2085 C ASN B 50 0.355 4.119 11.945 1.00 0.00 C ATOM 2086 O ASN B 50 -0.006 4.479 13.065 1.00 0.00 O ATOM 2087 CB ASN B 50 1.511 5.406 10.143 1.00 0.00 C ATOM 2088 CG ASN B 50 1.489 6.887 10.470 1.00 0.00 C ATOM 2089 OD1 ASN B 50 0.462 7.428 10.879 1.00 0.00 O ATOM 2090 ND2 ASN B 50 2.626 7.549 10.292 1.00 0.00 N ATOM 0 H ASN B 50 2.380 2.966 10.156 1.00 0.00 H new ATOM 0 HA ASN B 50 2.223 5.105 12.163 1.00 0.00 H new ATOM 0 HB2 ASN B 50 2.310 5.206 9.429 1.00 0.00 H new ATOM 0 HB3 ASN B 50 0.575 5.130 9.658 1.00 0.00 H new ATOM 0 HD21 ASN B 50 2.672 8.547 10.496 1.00 0.00 H new ATOM 0 HD22 ASN B 50 3.453 7.059 9.951 1.00 0.00 H new ATOM 2097 N LYS B 51 -0.400 3.384 11.143 1.00 0.00 N ATOM 2098 CA LYS B 51 -1.736 2.938 11.527 1.00 0.00 C ATOM 2099 C LYS B 51 -1.704 2.060 12.773 1.00 0.00 C ATOM 2100 O LYS B 51 -2.464 2.287 13.714 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.407 2.194 10.370 1.00 0.00 C ATOM 2102 CG LYS B 51 -3.024 3.121 9.334 1.00 0.00 C ATOM 2103 CD LYS B 51 -1.959 3.821 8.501 1.00 0.00 C ATOM 2104 CE LYS B 51 -2.457 5.147 7.956 1.00 0.00 C ATOM 2105 NZ LYS B 51 -1.540 5.702 6.923 1.00 0.00 N ATOM 0 H LYS B 51 -0.109 3.080 10.214 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.321 3.827 11.764 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.671 1.555 9.883 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.182 1.540 10.769 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.681 2.549 8.679 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.643 3.866 9.834 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.071 3.988 9.111 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.661 3.176 7.674 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.450 5.013 7.526 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.557 5.861 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -1.721 6.720 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.554 5.557 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.704 5.218 6.017 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.821 1.064 12.788 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.705 0.174 13.942 1.00 0.00 C ATOM 2121 C GLU B 52 -0.624 0.987 15.232 1.00 0.00 C ATOM 2122 O GLU B 52 -1.050 0.538 16.296 1.00 0.00 O ATOM 2123 CB GLU B 52 0.531 -0.719 13.807 1.00 0.00 C ATOM 2124 CG GLU B 52 0.541 -1.893 14.773 1.00 0.00 C ATOM 2125 CD GLU B 52 1.604 -2.919 14.434 1.00 0.00 C ATOM 2126 OE1 GLU B 52 1.492 -4.069 14.909 1.00 0.00 O ATOM 2127 OE2 GLU B 52 2.548 -2.573 13.692 1.00 0.00 O ATOM 0 H GLU B 52 -0.181 0.854 12.022 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.592 -0.459 13.979 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.585 -1.098 12.787 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.424 -0.116 13.971 1.00 0.00 H new ATOM 0 HG2 GLU B 52 0.707 -1.524 15.785 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -0.438 -2.373 14.765 1.00 0.00 H new ATOM 2134 N LYS B 53 -0.082 2.195 15.113 1.00 0.00 N ATOM 2135 CA LYS B 53 0.056 3.101 16.244 1.00 0.00 C ATOM 2136 C LYS B 53 -0.593 4.445 15.927 1.00 0.00 C ATOM 2137 O LYS B 53 -0.161 5.483 16.423 1.00 0.00 O ATOM 2138 CB LYS B 53 1.534 3.300 16.591 1.00 0.00 C ATOM 2139 CG LYS B 53 2.399 3.650 15.391 1.00 0.00 C ATOM 2140 CD LYS B 53 3.372 4.773 15.712 1.00 0.00 C ATOM 2141 CE LYS B 53 2.757 6.139 15.446 1.00 0.00 C ATOM 2142 NZ LYS B 53 2.969 7.074 16.584 1.00 0.00 N ATOM 0 H LYS B 53 0.272 2.571 14.233 1.00 0.00 H new ATOM 0 HA LYS B 53 -0.449 2.660 17.104 1.00 0.00 H new ATOM 0 HB2 LYS B 53 1.621 4.093 17.334 1.00 0.00 H new ATOM 0 HB3 LYS B 53 1.917 2.389 17.051 1.00 0.00 H new ATOM 0 HG2 LYS B 53 2.953 2.768 15.071 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.763 3.946 14.557 1.00 0.00 H new ATOM 0 HD2 LYS B 53 3.674 4.706 16.757 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.274 4.656 15.112 1.00 0.00 H new ATOM 0 HE2 LYS B 53 3.193 6.563 14.541 1.00 0.00 H new ATOM 0 HE3 LYS B 53 1.688 6.027 15.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 2.565 8.003 16.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 2.502 6.698 17.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 3.988 7.175 16.765 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.626 4.414 15.082 1.00 0.00 N ATOM 2157 CA LEU B 54 -2.334 5.627 14.670 1.00 0.00 C ATOM 2158 C LEU B 54 -2.800 6.433 15.881 1.00 0.00 C ATOM 2159 O LEU B 54 -3.815 6.110 16.500 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.544 5.259 13.808 1.00 0.00 C ATOM 2161 CG LEU B 54 -3.907 6.279 12.728 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -2.704 6.576 11.844 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.075 5.776 11.892 1.00 0.00 C ATOM 0 H LEU B 54 -1.992 3.557 14.668 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.642 6.239 14.092 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.350 4.299 13.329 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.406 5.121 14.460 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.207 7.205 13.217 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -2.983 7.304 11.082 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -1.896 6.980 12.453 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -2.370 5.657 11.363 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -5.320 6.514 11.128 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -4.802 4.836 11.413 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -5.941 5.618 12.535 1.00 0.00 H new ATOM 2175 N PRO B 55 -2.059 7.499 16.237 1.00 0.00 N ATOM 2176 CA PRO B 55 -2.389 8.358 17.373 1.00 0.00 C ATOM 2177 C PRO B 55 -3.493 9.356 17.041 1.00 0.00 C ATOM 2178 O PRO B 55 -3.783 9.609 15.872 1.00 0.00 O ATOM 2179 CB PRO B 55 -1.073 9.100 17.671 1.00 0.00 C ATOM 2180 CG PRO B 55 -0.065 8.571 16.696 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.842 7.962 15.566 1.00 0.00 C ATOM 0 HA PRO B 55 -2.764 7.780 18.217 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -1.198 10.177 17.556 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -0.751 8.925 18.697 1.00 0.00 H new ATOM 0 HG2 PRO B 55 0.582 9.371 16.335 1.00 0.00 H new ATOM 0 HG3 PRO B 55 0.579 7.829 17.168 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -1.060 8.690 14.784 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -0.300 7.142 15.096 1.00 0.00 H new ATOM 2189 N ASN B 56 -4.100 9.926 18.076 1.00 0.00 N ATOM 2190 CA ASN B 56 -5.166 10.903 17.893 1.00 0.00 C ATOM 2191 C ASN B 56 -4.595 12.249 17.454 1.00 0.00 C ATOM 2192 O ASN B 56 -5.250 13.009 16.740 1.00 0.00 O ATOM 2193 CB ASN B 56 -5.962 11.070 19.188 1.00 0.00 C ATOM 2194 CG ASN B 56 -7.371 11.573 18.938 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -7.944 11.344 17.873 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -7.937 12.263 19.922 1.00 0.00 N ATOM 0 H ASN B 56 -3.872 9.728 19.050 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.833 10.537 17.112 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -6.007 10.114 19.710 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -5.441 11.767 19.845 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -8.884 12.626 19.811 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -7.425 12.429 20.788 1.00 0.00 H new ATOM 2203 N GLU B 57 -3.372 12.537 17.888 1.00 0.00 N ATOM 2204 CA GLU B 57 -2.710 13.790 17.544 1.00 0.00 C ATOM 2205 C GLU B 57 -2.191 13.766 16.107 1.00 0.00 C ATOM 2206 O GLU B 57 -1.947 14.815 15.511 1.00 0.00 O ATOM 2207 CB GLU B 57 -1.554 14.060 18.509 1.00 0.00 C ATOM 2208 CG GLU B 57 -0.587 12.894 18.640 1.00 0.00 C ATOM 2209 CD GLU B 57 -0.802 12.101 19.915 1.00 0.00 C ATOM 2210 OE1 GLU B 57 -1.947 12.072 20.411 1.00 0.00 O ATOM 2211 OE2 GLU B 57 0.176 11.508 20.417 1.00 0.00 O ATOM 0 H GLU B 57 -2.818 11.918 18.480 1.00 0.00 H new ATOM 0 HA GLU B 57 -3.445 14.590 17.629 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -1.006 14.939 18.170 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.960 14.297 19.492 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -0.702 12.233 17.781 1.00 0.00 H new ATOM 0 HG3 GLU B 57 0.436 13.270 18.618 1.00 0.00 H new ATOM 2218 N LEU B 58 -2.024 12.566 15.558 1.00 0.00 N ATOM 2219 CA LEU B 58 -1.535 12.412 14.191 1.00 0.00 C ATOM 2220 C LEU B 58 -2.684 12.458 13.190 1.00 0.00 C ATOM 2221 O LEU B 58 -2.478 12.759 12.016 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.776 11.092 14.045 1.00 0.00 C ATOM 2223 CG LEU B 58 0.727 11.227 13.794 1.00 0.00 C ATOM 2224 CD1 LEU B 58 1.425 9.891 14.002 1.00 0.00 C ATOM 2225 CD2 LEU B 58 0.986 11.754 12.392 1.00 0.00 C ATOM 0 H LEU B 58 -2.220 11.687 16.038 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.860 13.241 13.981 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.925 10.504 14.951 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -1.216 10.528 13.223 1.00 0.00 H new ATOM 0 HG LEU B 58 1.134 11.941 14.510 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.493 10.006 13.819 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.267 9.553 15.026 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.016 9.155 13.310 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.060 11.844 12.230 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.565 11.064 11.660 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.519 12.732 12.279 1.00 0.00 H new ATOM 2237 N LYS B 59 -3.894 12.150 13.663 1.00 0.00 N ATOM 2238 CA LYS B 59 -5.084 12.148 12.811 1.00 0.00 C ATOM 2239 C LYS B 59 -5.068 13.308 11.815 1.00 0.00 C ATOM 2240 O LYS B 59 -5.287 13.110 10.620 1.00 0.00 O ATOM 2241 CB LYS B 59 -6.349 12.217 13.670 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.479 11.338 13.161 1.00 0.00 C ATOM 2243 CD LYS B 59 -8.724 11.479 14.022 1.00 0.00 C ATOM 2244 CE LYS B 59 -9.406 12.819 13.803 1.00 0.00 C ATOM 2245 NZ LYS B 59 -10.388 13.126 14.880 1.00 0.00 N ATOM 0 H LYS B 59 -4.075 11.898 14.635 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.081 11.218 12.243 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.102 11.922 14.690 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.694 13.250 13.711 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -7.715 11.606 12.131 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -7.157 10.297 13.153 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.421 10.673 13.790 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.454 11.375 15.073 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.654 13.607 13.763 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.915 12.814 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -10.831 14.048 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -11.121 12.388 14.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.899 13.156 15.797 1.00 0.00 H new ATOM 2259 N PRO B 60 -4.805 14.536 12.291 1.00 0.00 N ATOM 2260 CA PRO B 60 -4.760 15.720 11.431 1.00 0.00 C ATOM 2261 C PRO B 60 -3.592 15.678 10.455 1.00 0.00 C ATOM 2262 O PRO B 60 -3.679 16.206 9.347 1.00 0.00 O ATOM 2263 CB PRO B 60 -4.598 16.890 12.413 1.00 0.00 C ATOM 2264 CG PRO B 60 -4.902 16.326 13.761 1.00 0.00 C ATOM 2265 CD PRO B 60 -4.534 14.873 13.695 1.00 0.00 C ATOM 0 HA PRO B 60 -5.652 15.799 10.810 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -3.587 17.296 12.376 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -5.278 17.706 12.167 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -4.331 16.838 14.536 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -5.957 16.450 14.007 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -3.489 14.707 13.957 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -5.133 14.272 14.379 1.00 0.00 H new ATOM 2273 N LYS B 61 -2.501 15.044 10.869 1.00 0.00 N ATOM 2274 CA LYS B 61 -1.323 14.936 10.018 1.00 0.00 C ATOM 2275 C LYS B 61 -1.599 14.033 8.823 1.00 0.00 C ATOM 2276 O LYS B 61 -0.978 14.179 7.772 1.00 0.00 O ATOM 2277 CB LYS B 61 -0.122 14.414 10.802 1.00 0.00 C ATOM 2278 CG LYS B 61 1.210 14.869 10.225 1.00 0.00 C ATOM 2279 CD LYS B 61 1.867 13.775 9.402 1.00 0.00 C ATOM 2280 CE LYS B 61 3.007 13.114 10.159 1.00 0.00 C ATOM 2281 NZ LYS B 61 4.285 13.864 10.008 1.00 0.00 N ATOM 0 H LYS B 61 -2.408 14.600 11.782 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.087 15.936 9.654 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.197 14.750 11.836 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.151 13.325 10.818 1.00 0.00 H new ATOM 0 HG2 LYS B 61 1.055 15.750 9.602 1.00 0.00 H new ATOM 0 HG3 LYS B 61 1.876 15.165 11.036 1.00 0.00 H new ATOM 0 HD2 LYS B 61 1.124 13.024 9.134 1.00 0.00 H new ATOM 0 HD3 LYS B 61 2.244 14.197 8.470 1.00 0.00 H new ATOM 0 HE2 LYS B 61 2.749 13.046 11.216 1.00 0.00 H new ATOM 0 HE3 LYS B 61 3.140 12.095 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 5.037 13.380 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 4.545 13.907 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 4.167 14.829 10.377 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.546 13.107 8.976 1.00 0.00 N ATOM 2296 CA ILE B 62 -2.899 12.210 7.882 1.00 0.00 C ATOM 2297 C ILE B 62 -3.213 13.036 6.641 1.00 0.00 C ATOM 2298 O ILE B 62 -2.887 12.647 5.516 1.00 0.00 O ATOM 2299 CB ILE B 62 -4.098 11.302 8.256 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.605 10.068 9.014 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -4.883 10.882 7.019 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.669 10.394 10.157 1.00 0.00 C ATOM 0 H ILE B 62 -3.075 12.961 9.836 1.00 0.00 H new ATOM 0 HA ILE B 62 -2.052 11.554 7.679 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.767 11.874 8.898 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.465 9.523 9.404 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.096 9.403 8.317 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.717 10.246 7.316 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.265 11.768 6.512 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.229 10.331 6.343 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.360 9.472 10.649 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.791 10.912 9.772 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.181 11.034 10.875 1.00 0.00 H new ATOM 2314 N ASP B 63 -3.801 14.208 6.864 1.00 0.00 N ATOM 2315 CA ASP B 63 -4.107 15.117 5.780 1.00 0.00 C ATOM 2316 C ASP B 63 -2.795 15.633 5.217 1.00 0.00 C ATOM 2317 O ASP B 63 -2.617 15.737 4.004 1.00 0.00 O ATOM 2318 CB ASP B 63 -4.974 16.277 6.279 1.00 0.00 C ATOM 2319 CG ASP B 63 -6.272 16.401 5.506 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -7.165 15.551 5.705 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.397 17.349 4.703 1.00 0.00 O ATOM 0 H ASP B 63 -4.072 14.544 7.788 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.670 14.599 5.003 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.196 16.133 7.336 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.414 17.208 6.195 1.00 0.00 H new ATOM 2326 N GLU B 64 -1.860 15.914 6.127 1.00 0.00 N ATOM 2327 CA GLU B 64 -0.534 16.380 5.752 1.00 0.00 C ATOM 2328 C GLU B 64 0.125 15.351 4.844 1.00 0.00 C ATOM 2329 O GLU B 64 0.721 15.694 3.826 1.00 0.00 O ATOM 2330 CB GLU B 64 0.322 16.619 6.999 1.00 0.00 C ATOM 2331 CG GLU B 64 0.635 18.085 7.248 1.00 0.00 C ATOM 2332 CD GLU B 64 1.600 18.288 8.400 1.00 0.00 C ATOM 2333 OE1 GLU B 64 1.214 18.006 9.553 1.00 0.00 O ATOM 2334 OE2 GLU B 64 2.740 18.732 8.148 1.00 0.00 O ATOM 0 H GLU B 64 -2.003 15.825 7.133 1.00 0.00 H new ATOM 0 HA GLU B 64 -0.624 17.325 5.217 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -0.196 16.214 7.868 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.257 16.068 6.899 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.058 18.521 6.343 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -0.291 18.620 7.456 1.00 0.00 H new ATOM 2341 N ILE B 65 -0.018 14.082 5.214 1.00 0.00 N ATOM 2342 CA ILE B 65 0.533 12.984 4.430 1.00 0.00 C ATOM 2343 C ILE B 65 0.028 13.054 2.996 1.00 0.00 C ATOM 2344 O ILE B 65 0.778 12.825 2.049 1.00 0.00 O ATOM 2345 CB ILE B 65 0.134 11.618 5.030 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.525 11.550 6.507 1.00 0.00 C ATOM 2347 CG2 ILE B 65 0.786 10.484 4.252 1.00 0.00 C ATOM 2348 CD1 ILE B 65 1.983 11.865 6.746 1.00 0.00 C ATOM 0 H ILE B 65 -0.513 13.789 6.056 1.00 0.00 H new ATOM 0 HA ILE B 65 1.619 13.079 4.448 1.00 0.00 H new ATOM 0 HB ILE B 65 -0.948 11.509 4.954 1.00 0.00 H new ATOM 0 HG12 ILE B 65 -0.090 12.250 7.073 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.307 10.553 6.890 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.494 9.529 4.688 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.461 10.522 3.212 1.00 0.00 H new ATOM 0 HG23 ILE B 65 1.870 10.588 4.298 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.199 11.800 7.812 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.603 11.149 6.206 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.200 12.873 6.392 1.00 0.00 H new ATOM 2360 N SER B 66 -1.257 13.369 2.852 1.00 0.00 N ATOM 2361 CA SER B 66 -1.884 13.466 1.538 1.00 0.00 C ATOM 2362 C SER B 66 -1.530 14.775 0.834 1.00 0.00 C ATOM 2363 O SER B 66 -1.040 14.764 -0.294 1.00 0.00 O ATOM 2364 CB SER B 66 -3.403 13.343 1.669 1.00 0.00 C ATOM 2365 OG SER B 66 -3.952 14.471 2.328 1.00 0.00 O ATOM 0 H SER B 66 -1.885 13.562 3.632 1.00 0.00 H new ATOM 0 HA SER B 66 -1.501 12.646 0.931 1.00 0.00 H new ATOM 0 HB2 SER B 66 -3.849 13.243 0.680 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.651 12.438 2.223 1.00 0.00 H new ATOM 0 HG SER B 66 -3.383 14.715 3.088 1.00 0.00 H new