USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 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 82 SER OG : rot 180:sc= 0.0116 USER MOD Set 1.2: A 84 SER OG : rot -56:sc= 0.0124 USER MOD Set 2.1: A 30 CYS SG : rot -137:sc= 0.358 USER MOD Set 2.2: A 33 CYS SG : rot -107:sc= -0.536 USER MOD Set 2.3: A 64 HIS :FLIP no HE2:sc= -0.621 F(o=-2.9,f=-1.6) USER MOD Set 2.4: A 67 CYS SG : rot 40:sc= -0.817 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -1.05 (180deg=-2.29!) USER MOD Single : A 14 THR OG1 : rot -13:sc= 0.725 USER MOD Single : A 22 TYR OH : rot -130:sc= -0.399 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0177 (180deg=-0.224) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00434 USER MOD Single : A 26 ASN : amide:sc= -0.548 K(o=-0.55,f=-2.6!) USER MOD Single : A 28 SER OG : rot -129:sc= 1.44 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.091) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= -0.272 (180deg=-2.24!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -156:sc= -0.203 (180deg=-0.744) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -165:sc= -2.79! (180deg=-3.18!) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.585 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.0179 (180deg=-0.163) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.337 USER MOD Single : A 85 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.269) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 16.350 14.650 -2.303 1.00 0.00 N ATOM 132 CA LYS A 13 16.121 14.353 -3.713 1.00 0.00 C ATOM 133 C LYS A 13 15.327 13.061 -3.875 1.00 0.00 C ATOM 134 O LYS A 13 15.647 12.225 -4.721 1.00 0.00 O ATOM 135 CB LYS A 13 17.454 14.242 -4.455 1.00 0.00 C ATOM 136 CG LYS A 13 18.402 13.219 -3.853 1.00 0.00 C ATOM 137 CD LYS A 13 19.444 12.763 -4.860 1.00 0.00 C ATOM 138 CE LYS A 13 18.918 11.634 -5.734 1.00 0.00 C ATOM 139 NZ LYS A 13 17.894 12.113 -6.703 1.00 0.00 N ATOM 0 HA LYS A 13 15.541 15.171 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.261 13.978 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 13 17.940 15.217 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.899 13.650 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.834 12.358 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 13 19.737 13.604 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 13 20.339 12.431 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.747 11.179 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.486 10.858 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.784 11.414 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.985 12.238 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.197 13.022 -7.108 1.00 0.00 H new ATOM 153 N THR A 14 14.289 12.903 -3.059 1.00 0.00 N ATOM 154 CA THR A 14 13.449 11.713 -3.113 1.00 0.00 C ATOM 155 C THR A 14 12.080 11.978 -2.496 1.00 0.00 C ATOM 156 O THR A 14 11.954 12.759 -1.552 1.00 0.00 O ATOM 157 CB THR A 14 14.107 10.528 -2.382 1.00 0.00 C ATOM 158 OG1 THR A 14 15.361 10.210 -2.996 1.00 0.00 O ATOM 159 CG2 THR A 14 13.201 9.306 -2.406 1.00 0.00 C ATOM 0 H THR A 14 14.010 13.584 -2.353 1.00 0.00 H new ATOM 0 HA THR A 14 13.327 11.459 -4.166 1.00 0.00 H new ATOM 0 HB THR A 14 14.273 10.817 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.426 10.665 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.687 8.482 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.258 9.542 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.007 9.017 -3.439 1.00 0.00 H new ATOM 167 N LEU A 15 11.057 11.324 -3.035 1.00 0.00 N ATOM 168 CA LEU A 15 9.696 11.488 -2.536 1.00 0.00 C ATOM 169 C LEU A 15 9.515 10.774 -1.201 1.00 0.00 C ATOM 170 O LEU A 15 9.711 9.563 -1.101 1.00 0.00 O ATOM 171 CB LEU A 15 8.690 10.950 -3.556 1.00 0.00 C ATOM 172 CG LEU A 15 8.797 11.522 -4.970 1.00 0.00 C ATOM 173 CD1 LEU A 15 7.925 10.730 -5.933 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.408 12.993 -4.982 1.00 0.00 C ATOM 0 H LEU A 15 11.144 10.675 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 15 9.517 12.552 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.805 9.868 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.685 11.144 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 15 9.833 11.439 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.014 11.151 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.250 9.690 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.886 10.781 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.490 13.383 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.381 13.101 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.074 13.551 -4.324 1.00 0.00 H new ATOM 186 N GLY A 16 9.138 11.532 -0.176 1.00 0.00 N ATOM 187 CA GLY A 16 8.934 10.954 1.139 1.00 0.00 C ATOM 188 C GLY A 16 7.612 10.222 1.253 1.00 0.00 C ATOM 189 O GLY A 16 7.515 9.203 1.936 1.00 0.00 O ATOM 0 H GLY A 16 8.970 12.536 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.748 10.263 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.974 11.743 1.889 1.00 0.00 H new ATOM 193 N ASP A 17 6.590 10.744 0.584 1.00 0.00 N ATOM 194 CA ASP A 17 5.265 10.134 0.613 1.00 0.00 C ATOM 195 C ASP A 17 5.265 8.799 -0.127 1.00 0.00 C ATOM 196 O ASP A 17 4.641 7.834 0.313 1.00 0.00 O ATOM 197 CB ASP A 17 4.233 11.075 -0.008 1.00 0.00 C ATOM 198 CG ASP A 17 4.485 12.527 0.348 1.00 0.00 C ATOM 199 OD1 ASP A 17 4.020 12.964 1.421 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.146 13.227 -0.448 1.00 0.00 O ATOM 0 H ASP A 17 6.653 11.588 0.015 1.00 0.00 H new ATOM 0 HA ASP A 17 4.999 9.952 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.248 10.962 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.236 10.789 0.328 1.00 0.00 H new ATOM 205 N PHE A 18 5.969 8.753 -1.254 1.00 0.00 N ATOM 206 CA PHE A 18 6.048 7.539 -2.056 1.00 0.00 C ATOM 207 C PHE A 18 7.373 6.818 -1.822 1.00 0.00 C ATOM 208 O PHE A 18 8.444 7.370 -2.069 1.00 0.00 O ATOM 209 CB PHE A 18 5.892 7.872 -3.541 1.00 0.00 C ATOM 210 CG PHE A 18 4.593 8.550 -3.870 1.00 0.00 C ATOM 211 CD1 PHE A 18 4.474 9.928 -3.780 1.00 0.00 C ATOM 212 CD2 PHE A 18 3.491 7.811 -4.268 1.00 0.00 C ATOM 213 CE1 PHE A 18 3.279 10.555 -4.081 1.00 0.00 C ATOM 214 CE2 PHE A 18 2.293 8.432 -4.570 1.00 0.00 C ATOM 215 CZ PHE A 18 2.188 9.806 -4.478 1.00 0.00 C ATOM 0 H PHE A 18 6.493 9.543 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 18 5.236 6.879 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.716 8.515 -3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.970 6.953 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.324 10.518 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.568 6.736 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.198 11.629 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.441 7.844 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.255 10.294 -4.716 1.00 0.00 H new ATOM 225 N ALA A 19 7.290 5.581 -1.343 1.00 0.00 N ATOM 226 CA ALA A 19 8.481 4.784 -1.076 1.00 0.00 C ATOM 227 C ALA A 19 8.342 3.379 -1.654 1.00 0.00 C ATOM 228 O ALA A 19 7.239 2.838 -1.737 1.00 0.00 O ATOM 229 CB ALA A 19 8.747 4.717 0.420 1.00 0.00 C ATOM 0 H ALA A 19 6.411 5.109 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 19 9.328 5.267 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.639 4.119 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.899 5.724 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.894 4.260 0.921 1.00 0.00 H new ATOM 235 N ALA A 20 9.466 2.795 -2.053 1.00 0.00 N ATOM 236 CA ALA A 20 9.470 1.453 -2.622 1.00 0.00 C ATOM 237 C ALA A 20 10.476 0.556 -1.909 1.00 0.00 C ATOM 238 O ALA A 20 11.672 0.842 -1.892 1.00 0.00 O ATOM 239 CB ALA A 20 9.776 1.512 -4.112 1.00 0.00 C ATOM 0 H ALA A 20 10.387 3.230 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 20 8.478 1.024 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.776 0.503 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.017 2.110 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.755 1.966 -4.265 1.00 0.00 H new ATOM 245 N GLU A 21 9.981 -0.528 -1.319 1.00 0.00 N ATOM 246 CA GLU A 21 10.838 -1.465 -0.602 1.00 0.00 C ATOM 247 C GLU A 21 10.136 -2.805 -0.407 1.00 0.00 C ATOM 248 O GLU A 21 8.920 -2.910 -0.569 1.00 0.00 O ATOM 249 CB GLU A 21 11.242 -0.886 0.755 1.00 0.00 C ATOM 250 CG GLU A 21 10.102 -0.838 1.759 1.00 0.00 C ATOM 251 CD GLU A 21 10.286 0.250 2.799 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.267 0.175 3.569 1.00 0.00 O ATOM 253 OE2 GLU A 21 9.450 1.177 2.843 1.00 0.00 O ATOM 0 H GLU A 21 8.992 -0.779 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 21 11.734 -1.628 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.054 -1.484 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.630 0.122 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.163 -0.674 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.022 -1.803 2.259 1.00 0.00 H new ATOM 260 N TYR A 22 10.910 -3.827 -0.059 1.00 0.00 N ATOM 261 CA TYR A 22 10.363 -5.162 0.155 1.00 0.00 C ATOM 262 C TYR A 22 9.632 -5.243 1.491 1.00 0.00 C ATOM 263 O TYR A 22 10.180 -4.887 2.534 1.00 0.00 O ATOM 264 CB TYR A 22 11.480 -6.206 0.108 1.00 0.00 C ATOM 265 CG TYR A 22 12.376 -6.081 -1.103 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.921 -6.435 -2.368 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.677 -5.609 -0.983 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.737 -6.323 -3.477 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.499 -5.492 -2.087 1.00 0.00 C ATOM 270 CZ TYR A 22 14.025 -5.850 -3.332 1.00 0.00 C ATOM 271 OH TYR A 22 14.840 -5.736 -4.434 1.00 0.00 O ATOM 0 H TYR A 22 11.918 -3.757 0.081 1.00 0.00 H new ATOM 0 HA TYR A 22 9.649 -5.367 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 22 12.087 -6.117 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.036 -7.201 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.913 -6.804 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.052 -5.329 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.369 -6.604 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.508 -5.122 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 22 15.703 -6.163 -4.248 1.00 0.00 H new ATOM 281 N ALA A 23 8.389 -5.713 1.451 1.00 0.00 N ATOM 282 CA ALA A 23 7.582 -5.844 2.657 1.00 0.00 C ATOM 283 C ALA A 23 8.279 -6.722 3.691 1.00 0.00 C ATOM 284 O ALA A 23 8.733 -7.824 3.381 1.00 0.00 O ATOM 285 CB ALA A 23 6.212 -6.412 2.317 1.00 0.00 C ATOM 0 H ALA A 23 7.919 -6.009 0.595 1.00 0.00 H new ATOM 0 HA ALA A 23 7.454 -4.851 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.620 -6.504 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.704 -5.745 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.329 -7.394 1.859 1.00 0.00 H new ATOM 291 N LYS A 24 8.361 -6.227 4.922 1.00 0.00 N ATOM 292 CA LYS A 24 9.002 -6.966 6.003 1.00 0.00 C ATOM 293 C LYS A 24 8.102 -8.093 6.500 1.00 0.00 C ATOM 294 O LYS A 24 8.563 -9.209 6.738 1.00 0.00 O ATOM 295 CB LYS A 24 9.344 -6.024 7.160 1.00 0.00 C ATOM 296 CG LYS A 24 8.146 -5.259 7.695 1.00 0.00 C ATOM 297 CD LYS A 24 8.492 -4.501 8.966 1.00 0.00 C ATOM 298 CE LYS A 24 9.289 -3.241 8.664 1.00 0.00 C ATOM 299 NZ LYS A 24 8.457 -2.207 7.988 1.00 0.00 N ATOM 0 H LYS A 24 7.991 -5.317 5.195 1.00 0.00 H new ATOM 0 HA LYS A 24 9.922 -7.404 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.786 -6.603 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.100 -5.313 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.792 -4.559 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.329 -5.953 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.576 -4.236 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.067 -5.146 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.691 -2.834 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.140 -3.493 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.929 -1.283 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.334 -2.460 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.526 -2.155 8.449 1.00 0.00 H new ATOM 313 N SER A 25 6.816 -7.793 6.655 1.00 0.00 N ATOM 314 CA SER A 25 5.852 -8.780 7.126 1.00 0.00 C ATOM 315 C SER A 25 4.573 -8.729 6.296 1.00 0.00 C ATOM 316 O SER A 25 4.319 -7.757 5.586 1.00 0.00 O ATOM 317 CB SER A 25 5.527 -8.542 8.602 1.00 0.00 C ATOM 318 OG SER A 25 4.916 -7.278 8.792 1.00 0.00 O ATOM 0 H SER A 25 6.418 -6.874 6.461 1.00 0.00 H new ATOM 0 HA SER A 25 6.297 -9.769 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.864 -9.328 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.441 -8.600 9.193 1.00 0.00 H new ATOM 0 HG SER A 25 4.717 -7.151 9.743 1.00 0.00 H new ATOM 324 N ASN A 26 3.770 -9.783 6.393 1.00 0.00 N ATOM 325 CA ASN A 26 2.516 -9.860 5.652 1.00 0.00 C ATOM 326 C ASN A 26 1.410 -9.095 6.373 1.00 0.00 C ATOM 327 O ASN A 26 0.267 -9.548 6.435 1.00 0.00 O ATOM 328 CB ASN A 26 2.101 -11.320 5.461 1.00 0.00 C ATOM 329 CG ASN A 26 1.533 -11.930 6.728 1.00 0.00 C ATOM 330 OD1 ASN A 26 2.070 -11.736 7.818 1.00 0.00 O ATOM 331 ND2 ASN A 26 0.441 -12.673 6.589 1.00 0.00 N ATOM 0 H ASN A 26 3.965 -10.596 6.977 1.00 0.00 H new ATOM 0 HA ASN A 26 2.672 -9.403 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.358 -11.383 4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.964 -11.901 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.014 -13.110 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.029 -12.807 5.665 1.00 0.00 H new ATOM 338 N ARG A 27 1.758 -7.934 6.916 1.00 0.00 N ATOM 339 CA ARG A 27 0.796 -7.106 7.634 1.00 0.00 C ATOM 340 C ARG A 27 0.325 -5.943 6.766 1.00 0.00 C ATOM 341 O ARG A 27 0.155 -4.824 7.249 1.00 0.00 O ATOM 342 CB ARG A 27 1.414 -6.573 8.928 1.00 0.00 C ATOM 343 CG ARG A 27 1.705 -7.656 9.955 1.00 0.00 C ATOM 344 CD ARG A 27 1.619 -7.115 11.373 1.00 0.00 C ATOM 345 NE ARG A 27 0.266 -7.214 11.916 1.00 0.00 N ATOM 346 CZ ARG A 27 -0.236 -8.327 12.438 1.00 0.00 C ATOM 347 NH1 ARG A 27 0.498 -9.430 12.489 1.00 0.00 N ATOM 348 NH2 ARG A 27 -1.476 -8.338 12.911 1.00 0.00 N ATOM 0 H ARG A 27 2.700 -7.545 6.873 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.066 -7.726 7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.341 -6.051 8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.739 -5.839 9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.996 -8.475 9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.699 -8.067 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.308 -7.666 12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.938 -6.073 11.383 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.325 -6.383 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.451 -9.425 12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.109 -10.283 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.044 -7.491 12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.861 -9.193 13.312 1.00 0.00 H new ATOM 362 N SER A 28 0.117 -6.216 5.481 1.00 0.00 N ATOM 363 CA SER A 28 -0.330 -5.192 4.545 1.00 0.00 C ATOM 364 C SER A 28 -1.393 -5.745 3.601 1.00 0.00 C ATOM 365 O SER A 28 -1.347 -6.912 3.209 1.00 0.00 O ATOM 366 CB SER A 28 0.855 -4.656 3.739 1.00 0.00 C ATOM 367 OG SER A 28 1.723 -3.890 4.556 1.00 0.00 O ATOM 0 H SER A 28 0.251 -7.138 5.065 1.00 0.00 H new ATOM 0 HA SER A 28 -0.769 -4.376 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.405 -5.488 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.491 -4.043 2.915 1.00 0.00 H new ATOM 0 HG SER A 28 1.892 -3.023 4.131 1.00 0.00 H new ATOM 373 N THR A 29 -2.352 -4.899 3.238 1.00 0.00 N ATOM 374 CA THR A 29 -3.428 -5.302 2.341 1.00 0.00 C ATOM 375 C THR A 29 -3.738 -4.206 1.328 1.00 0.00 C ATOM 376 O THR A 29 -3.959 -3.051 1.695 1.00 0.00 O ATOM 377 CB THR A 29 -4.711 -5.643 3.122 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.465 -6.732 4.018 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.842 -6.007 2.171 1.00 0.00 C ATOM 0 H THR A 29 -2.405 -3.930 3.552 1.00 0.00 H new ATOM 0 HA THR A 29 -3.085 -6.193 1.814 1.00 0.00 H new ATOM 0 HB THR A 29 -5.007 -4.763 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.285 -6.941 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.738 -6.244 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.047 -5.165 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.553 -6.873 1.576 1.00 0.00 H new ATOM 387 N CYS A 30 -3.755 -4.574 0.052 1.00 0.00 N ATOM 388 CA CYS A 30 -4.040 -3.622 -1.015 1.00 0.00 C ATOM 389 C CYS A 30 -5.485 -3.138 -0.942 1.00 0.00 C ATOM 390 O CYS A 30 -6.422 -3.933 -1.008 1.00 0.00 O ATOM 391 CB CYS A 30 -3.773 -4.260 -2.380 1.00 0.00 C ATOM 392 SG CYS A 30 -3.858 -3.092 -3.776 1.00 0.00 S ATOM 0 H CYS A 30 -3.575 -5.525 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.381 -2.763 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.786 -4.722 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.497 -5.059 -2.544 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.506 -3.639 -4.761 1.00 0.00 H new ATOM 397 N LYS A 31 -5.657 -1.828 -0.804 1.00 0.00 N ATOM 398 CA LYS A 31 -6.987 -1.235 -0.723 1.00 0.00 C ATOM 399 C LYS A 31 -7.614 -1.112 -2.108 1.00 0.00 C ATOM 400 O LYS A 31 -8.834 -1.029 -2.242 1.00 0.00 O ATOM 401 CB LYS A 31 -6.914 0.143 -0.060 1.00 0.00 C ATOM 402 CG LYS A 31 -7.014 0.096 1.455 1.00 0.00 C ATOM 403 CD LYS A 31 -8.429 -0.215 1.911 1.00 0.00 C ATOM 404 CE LYS A 31 -8.444 -0.831 3.301 1.00 0.00 C ATOM 405 NZ LYS A 31 -9.768 -1.429 3.629 1.00 0.00 N ATOM 0 H LYS A 31 -4.892 -1.156 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.613 -1.890 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.975 0.622 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.718 0.767 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.331 -0.661 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.699 1.053 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.022 0.700 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.898 -0.899 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.673 -1.598 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.197 -0.068 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.737 -1.838 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.501 -0.692 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.992 -2.175 2.940 1.00 0.00 H new ATOM 419 N GLY A 32 -6.770 -1.103 -3.136 1.00 0.00 N ATOM 420 CA GLY A 32 -7.261 -0.991 -4.497 1.00 0.00 C ATOM 421 C GLY A 32 -8.099 -2.184 -4.910 1.00 0.00 C ATOM 422 O GLY A 32 -9.204 -2.026 -5.431 1.00 0.00 O ATOM 0 H GLY A 32 -5.756 -1.171 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.856 -0.083 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.416 -0.891 -5.178 1.00 0.00 H new ATOM 426 N CYS A 33 -7.574 -3.383 -4.681 1.00 0.00 N ATOM 427 CA CYS A 33 -8.280 -4.608 -5.034 1.00 0.00 C ATOM 428 C CYS A 33 -8.550 -5.458 -3.795 1.00 0.00 C ATOM 429 O CYS A 33 -8.703 -6.675 -3.887 1.00 0.00 O ATOM 430 CB CYS A 33 -7.469 -5.414 -6.051 1.00 0.00 C ATOM 431 SG CYS A 33 -5.723 -5.652 -5.588 1.00 0.00 S ATOM 0 H CYS A 33 -6.661 -3.532 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.236 -4.331 -5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.936 -6.390 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.512 -4.910 -7.016 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.970 -4.901 -6.335 1.00 0.00 H new ATOM 436 N MET A 34 -8.608 -4.805 -2.639 1.00 0.00 N ATOM 437 CA MET A 34 -8.862 -5.500 -1.382 1.00 0.00 C ATOM 438 C MET A 34 -8.098 -6.819 -1.326 1.00 0.00 C ATOM 439 O MET A 34 -8.619 -7.828 -0.853 1.00 0.00 O ATOM 440 CB MET A 34 -10.360 -5.757 -1.210 1.00 0.00 C ATOM 441 CG MET A 34 -11.182 -4.487 -1.063 1.00 0.00 C ATOM 442 SD MET A 34 -12.775 -4.778 -0.271 1.00 0.00 S ATOM 443 CE MET A 34 -13.555 -3.179 -0.481 1.00 0.00 C ATOM 0 H MET A 34 -8.483 -3.797 -2.546 1.00 0.00 H new ATOM 0 HA MET A 34 -8.514 -4.864 -0.568 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.725 -6.319 -2.070 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.514 -6.383 -0.331 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.618 -3.759 -0.479 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.345 -4.048 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.552 -3.200 -0.041 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.956 -2.414 0.013 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.632 -2.949 -1.544 1.00 0.00 H new ATOM 453 N GLU A 35 -6.861 -6.802 -1.813 1.00 0.00 N ATOM 454 CA GLU A 35 -6.027 -7.999 -1.819 1.00 0.00 C ATOM 455 C GLU A 35 -5.009 -7.957 -0.683 1.00 0.00 C ATOM 456 O GLU A 35 -4.821 -6.925 -0.039 1.00 0.00 O ATOM 457 CB GLU A 35 -5.305 -8.137 -3.161 1.00 0.00 C ATOM 458 CG GLU A 35 -6.073 -8.959 -4.183 1.00 0.00 C ATOM 459 CD GLU A 35 -5.827 -10.448 -4.038 1.00 0.00 C ATOM 460 OE1 GLU A 35 -6.327 -11.040 -3.059 1.00 0.00 O ATOM 461 OE2 GLU A 35 -5.135 -11.022 -4.905 1.00 0.00 O ATOM 0 H GLU A 35 -6.415 -5.974 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.674 -8.864 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.122 -7.143 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.331 -8.597 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.139 -8.759 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.787 -8.643 -5.186 1.00 0.00 H new ATOM 468 N LYS A 36 -4.354 -9.088 -0.442 1.00 0.00 N ATOM 469 CA LYS A 36 -3.354 -9.184 0.615 1.00 0.00 C ATOM 470 C LYS A 36 -1.944 -9.159 0.034 1.00 0.00 C ATOM 471 O LYS A 36 -1.625 -9.922 -0.879 1.00 0.00 O ATOM 472 CB LYS A 36 -3.560 -10.465 1.426 1.00 0.00 C ATOM 473 CG LYS A 36 -3.466 -11.733 0.595 1.00 0.00 C ATOM 474 CD LYS A 36 -2.049 -12.281 0.574 1.00 0.00 C ATOM 475 CE LYS A 36 -1.763 -13.035 -0.716 1.00 0.00 C ATOM 476 NZ LYS A 36 -2.646 -14.223 -0.872 1.00 0.00 N ATOM 0 H LYS A 36 -4.498 -9.952 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.473 -8.322 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.815 -10.506 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.538 -10.427 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.142 -12.486 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.793 -11.526 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.339 -11.461 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.902 -12.945 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.901 -12.366 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.721 -13.353 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.364 -14.757 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.559 -14.832 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.633 -13.911 -0.973 1.00 0.00 H new ATOM 490 N ILE A 37 -1.104 -8.280 0.569 1.00 0.00 N ATOM 491 CA ILE A 37 0.273 -8.159 0.104 1.00 0.00 C ATOM 492 C ILE A 37 1.184 -9.149 0.821 1.00 0.00 C ATOM 493 O ILE A 37 1.248 -9.171 2.049 1.00 0.00 O ATOM 494 CB ILE A 37 0.815 -6.733 0.317 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.010 -5.725 -0.485 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.282 -6.660 -0.080 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.114 -4.304 0.019 1.00 0.00 C ATOM 0 H ILE A 37 -1.352 -7.641 1.324 1.00 0.00 H new ATOM 0 HA ILE A 37 0.267 -8.382 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 37 0.731 -6.482 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.303 -5.760 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.058 -6.022 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.651 -5.646 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.859 -7.354 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.388 -6.927 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.498 -3.645 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.227 -4.254 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.156 -3.988 -0.035 1.00 0.00 H new ATOM 509 N GLU A 38 1.888 -9.967 0.044 1.00 0.00 N ATOM 510 CA GLU A 38 2.796 -10.959 0.605 1.00 0.00 C ATOM 511 C GLU A 38 4.099 -10.308 1.061 1.00 0.00 C ATOM 512 O GLU A 38 4.439 -9.205 0.632 1.00 0.00 O ATOM 513 CB GLU A 38 3.092 -12.052 -0.424 1.00 0.00 C ATOM 514 CG GLU A 38 2.127 -13.224 -0.363 1.00 0.00 C ATOM 515 CD GLU A 38 2.458 -14.194 0.754 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.724 -13.730 1.883 1.00 0.00 O ATOM 517 OE2 GLU A 38 2.451 -15.417 0.500 1.00 0.00 O ATOM 0 H GLU A 38 1.846 -9.962 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 38 2.311 -11.408 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.059 -11.617 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.107 -12.419 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.113 -12.848 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.143 -13.753 -1.316 1.00 0.00 H new ATOM 524 N LYS A 39 4.825 -10.999 1.934 1.00 0.00 N ATOM 525 CA LYS A 39 6.091 -10.490 2.449 1.00 0.00 C ATOM 526 C LYS A 39 7.195 -10.622 1.405 1.00 0.00 C ATOM 527 O LYS A 39 7.304 -11.644 0.728 1.00 0.00 O ATOM 528 CB LYS A 39 6.486 -11.242 3.722 1.00 0.00 C ATOM 529 CG LYS A 39 7.864 -10.874 4.242 1.00 0.00 C ATOM 530 CD LYS A 39 8.444 -11.976 5.114 1.00 0.00 C ATOM 531 CE LYS A 39 9.957 -11.866 5.218 1.00 0.00 C ATOM 532 NZ LYS A 39 10.641 -12.495 4.054 1.00 0.00 N ATOM 0 H LYS A 39 4.558 -11.913 2.300 1.00 0.00 H new ATOM 0 HA LYS A 39 5.961 -9.433 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.748 -11.039 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.455 -12.314 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.532 -10.684 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.802 -9.949 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.005 -11.922 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.176 -12.948 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.241 -10.816 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.293 -12.344 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.671 -12.399 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.390 -13.503 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.340 -12.023 3.178 1.00 0.00 H new ATOM 546 N GLY A 40 8.013 -9.581 1.280 1.00 0.00 N ATOM 547 CA GLY A 40 9.099 -9.602 0.317 1.00 0.00 C ATOM 548 C GLY A 40 8.700 -9.010 -1.020 1.00 0.00 C ATOM 549 O GLY A 40 9.521 -8.401 -1.705 1.00 0.00 O ATOM 0 H GLY A 40 7.943 -8.724 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.947 -9.047 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.431 -10.630 0.171 1.00 0.00 H new ATOM 553 N GLN A 41 7.436 -9.190 -1.392 1.00 0.00 N ATOM 554 CA GLN A 41 6.932 -8.671 -2.657 1.00 0.00 C ATOM 555 C GLN A 41 6.948 -7.146 -2.665 1.00 0.00 C ATOM 556 O GLN A 41 6.426 -6.504 -1.752 1.00 0.00 O ATOM 557 CB GLN A 41 5.512 -9.179 -2.911 1.00 0.00 C ATOM 558 CG GLN A 41 5.443 -10.666 -3.219 1.00 0.00 C ATOM 559 CD GLN A 41 6.092 -11.018 -4.543 1.00 0.00 C ATOM 560 OE1 GLN A 41 5.455 -10.955 -5.596 1.00 0.00 O ATOM 561 NE2 GLN A 41 7.365 -11.392 -4.499 1.00 0.00 N ATOM 0 H GLN A 41 6.744 -9.691 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 41 7.586 -9.027 -3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.898 -8.969 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.080 -8.624 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.933 -11.222 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.400 -10.982 -3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.855 -11.430 -3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.853 -11.641 -5.359 1.00 0.00 H new ATOM 570 N VAL A 42 7.550 -6.570 -3.700 1.00 0.00 N ATOM 571 CA VAL A 42 7.634 -5.120 -3.827 1.00 0.00 C ATOM 572 C VAL A 42 6.299 -4.462 -3.498 1.00 0.00 C ATOM 573 O VAL A 42 5.238 -4.973 -3.857 1.00 0.00 O ATOM 574 CB VAL A 42 8.062 -4.705 -5.247 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.044 -3.190 -5.389 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.440 -5.262 -5.572 1.00 0.00 C ATOM 0 H VAL A 42 7.987 -7.086 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 42 8.388 -4.783 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 42 7.349 -5.122 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.349 -2.916 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.037 -2.819 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.733 -2.749 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.727 -4.959 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.166 -4.876 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.416 -6.350 -5.514 1.00 0.00 H new ATOM 586 N ARG A 43 6.359 -3.324 -2.813 1.00 0.00 N ATOM 587 CA ARG A 43 5.154 -2.596 -2.435 1.00 0.00 C ATOM 588 C ARG A 43 5.398 -1.090 -2.462 1.00 0.00 C ATOM 589 O ARG A 43 6.503 -0.624 -2.180 1.00 0.00 O ATOM 590 CB ARG A 43 4.691 -3.023 -1.041 1.00 0.00 C ATOM 591 CG ARG A 43 5.723 -2.772 0.047 1.00 0.00 C ATOM 592 CD ARG A 43 5.226 -3.243 1.405 1.00 0.00 C ATOM 593 NE ARG A 43 6.094 -2.796 2.491 1.00 0.00 N ATOM 594 CZ ARG A 43 5.730 -2.790 3.768 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.521 -3.206 4.118 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.577 -2.369 4.699 1.00 0.00 N ATOM 0 H ARG A 43 7.229 -2.887 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 43 4.374 -2.834 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.775 -2.487 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.445 -4.085 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.649 -3.289 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.955 -1.708 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.216 -2.869 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.168 -4.331 1.412 1.00 0.00 H new ATOM 0 HE ARG A 43 7.032 -2.470 2.256 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.868 -3.532 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.244 -3.200 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.509 -2.050 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.296 -2.365 5.680 1.00 0.00 H new ATOM 610 N LEU A 44 4.361 -0.334 -2.804 1.00 0.00 N ATOM 611 CA LEU A 44 4.462 1.120 -2.869 1.00 0.00 C ATOM 612 C LEU A 44 3.497 1.778 -1.888 1.00 0.00 C ATOM 613 O LEU A 44 2.280 1.651 -2.021 1.00 0.00 O ATOM 614 CB LEU A 44 4.174 1.608 -4.290 1.00 0.00 C ATOM 615 CG LEU A 44 5.173 1.175 -5.364 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.482 1.039 -6.712 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.326 2.165 -5.451 1.00 0.00 C ATOM 0 H LEU A 44 3.440 -0.704 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 44 5.478 1.401 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.184 1.256 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.134 2.697 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 44 5.577 0.202 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.208 0.730 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.692 0.291 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.050 1.998 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.027 1.841 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.940 3.152 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.838 2.212 -4.490 1.00 0.00 H new ATOM 629 N SER A 45 4.049 2.482 -0.905 1.00 0.00 N ATOM 630 CA SER A 45 3.237 3.158 0.100 1.00 0.00 C ATOM 631 C SER A 45 3.031 4.625 -0.266 1.00 0.00 C ATOM 632 O SER A 45 3.803 5.200 -1.034 1.00 0.00 O ATOM 633 CB SER A 45 3.896 3.051 1.476 1.00 0.00 C ATOM 634 OG SER A 45 5.130 3.748 1.506 1.00 0.00 O ATOM 0 H SER A 45 5.055 2.599 -0.783 1.00 0.00 H new ATOM 0 HA SER A 45 2.263 2.669 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.227 3.456 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.061 2.002 1.723 1.00 0.00 H new ATOM 0 HG SER A 45 5.530 3.666 2.397 1.00 0.00 H new ATOM 640 N LYS A 46 1.985 5.226 0.291 1.00 0.00 N ATOM 641 CA LYS A 46 1.676 6.626 0.026 1.00 0.00 C ATOM 642 C LYS A 46 1.119 7.305 1.273 1.00 0.00 C ATOM 643 O LYS A 46 0.015 6.995 1.721 1.00 0.00 O ATOM 644 CB LYS A 46 0.671 6.740 -1.122 1.00 0.00 C ATOM 645 CG LYS A 46 0.566 8.140 -1.702 1.00 0.00 C ATOM 646 CD LYS A 46 -0.749 8.342 -2.437 1.00 0.00 C ATOM 647 CE LYS A 46 -1.840 8.841 -1.502 1.00 0.00 C ATOM 648 NZ LYS A 46 -3.200 8.534 -2.023 1.00 0.00 N ATOM 0 H LYS A 46 1.337 4.765 0.929 1.00 0.00 H new ATOM 0 HA LYS A 46 2.600 7.129 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.957 6.048 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.311 6.429 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.653 8.874 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.397 8.315 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.608 9.057 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.061 7.402 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.715 8.383 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.738 9.918 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.783 9.395 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.127 8.190 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.642 7.802 -1.431 1.00 0.00 H new ATOM 662 N LYS A 47 1.889 8.235 1.829 1.00 0.00 N ATOM 663 CA LYS A 47 1.472 8.961 3.023 1.00 0.00 C ATOM 664 C LYS A 47 0.246 9.822 2.735 1.00 0.00 C ATOM 665 O LYS A 47 0.314 10.775 1.960 1.00 0.00 O ATOM 666 CB LYS A 47 2.615 9.838 3.537 1.00 0.00 C ATOM 667 CG LYS A 47 2.584 10.060 5.039 1.00 0.00 C ATOM 668 CD LYS A 47 3.834 10.774 5.524 1.00 0.00 C ATOM 669 CE LYS A 47 4.971 9.796 5.780 1.00 0.00 C ATOM 670 NZ LYS A 47 6.282 10.490 5.906 1.00 0.00 N ATOM 0 H LYS A 47 2.806 8.504 1.471 1.00 0.00 H new ATOM 0 HA LYS A 47 1.210 8.231 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.565 9.378 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.574 10.804 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.704 10.646 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.492 9.100 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.145 11.509 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.610 11.321 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.768 9.234 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.019 9.074 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.030 9.789 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.488 11.006 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.245 11.161 6.700 1.00 0.00 H new ATOM 684 N MET A 48 -0.873 9.480 3.366 1.00 0.00 N ATOM 685 CA MET A 48 -2.113 10.224 3.180 1.00 0.00 C ATOM 686 C MET A 48 -3.028 10.069 4.390 1.00 0.00 C ATOM 687 O MET A 48 -2.777 9.243 5.268 1.00 0.00 O ATOM 688 CB MET A 48 -2.833 9.748 1.917 1.00 0.00 C ATOM 689 CG MET A 48 -3.034 8.242 1.863 1.00 0.00 C ATOM 690 SD MET A 48 -4.298 7.752 0.673 1.00 0.00 S ATOM 691 CE MET A 48 -5.767 8.428 1.442 1.00 0.00 C ATOM 0 H MET A 48 -0.946 8.693 4.010 1.00 0.00 H new ATOM 0 HA MET A 48 -1.861 11.279 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.805 10.238 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.262 10.062 1.043 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.090 7.763 1.603 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.313 7.881 2.853 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.643 7.879 1.098 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.685 8.338 2.525 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.868 9.479 1.172 1.00 0.00 H new ATOM 701 N VAL A 49 -4.089 10.868 4.431 1.00 0.00 N ATOM 702 CA VAL A 49 -5.041 10.819 5.534 1.00 0.00 C ATOM 703 C VAL A 49 -6.238 9.941 5.187 1.00 0.00 C ATOM 704 O VAL A 49 -6.785 10.025 4.087 1.00 0.00 O ATOM 705 CB VAL A 49 -5.542 12.227 5.907 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.552 12.151 7.041 1.00 0.00 C ATOM 707 CG2 VAL A 49 -4.374 13.126 6.281 1.00 0.00 C ATOM 0 H VAL A 49 -4.311 11.557 3.713 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.515 10.391 6.387 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.039 12.659 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.895 13.155 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.402 11.544 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.084 11.699 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.746 14.117 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.846 12.701 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.691 13.206 5.435 1.00 0.00 H new ATOM 717 N ASP A 50 -6.641 9.098 6.132 1.00 0.00 N ATOM 718 CA ASP A 50 -7.775 8.205 5.928 1.00 0.00 C ATOM 719 C ASP A 50 -9.093 8.942 6.141 1.00 0.00 C ATOM 720 O ASP A 50 -9.318 9.578 7.171 1.00 0.00 O ATOM 721 CB ASP A 50 -7.687 7.009 6.877 1.00 0.00 C ATOM 722 CG ASP A 50 -8.330 5.763 6.300 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.090 5.468 5.110 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.071 5.082 7.039 1.00 0.00 O ATOM 0 H ASP A 50 -6.198 9.015 7.047 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.742 7.846 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.640 6.803 7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.172 7.261 7.820 1.00 0.00 H new ATOM 729 N PRO A 51 -9.986 8.859 5.143 1.00 0.00 N ATOM 730 CA PRO A 51 -11.297 9.513 5.197 1.00 0.00 C ATOM 731 C PRO A 51 -12.227 8.863 6.216 1.00 0.00 C ATOM 732 O PRO A 51 -13.150 9.500 6.722 1.00 0.00 O ATOM 733 CB PRO A 51 -11.844 9.328 3.780 1.00 0.00 C ATOM 734 CG PRO A 51 -11.153 8.114 3.262 1.00 0.00 C ATOM 735 CD PRO A 51 -9.785 8.119 3.886 1.00 0.00 C ATOM 0 HA PRO A 51 -11.220 10.555 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.926 9.195 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.634 10.198 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.700 7.210 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.086 8.137 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.423 7.107 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.052 8.608 3.244 1.00 0.00 H new ATOM 743 N GLU A 52 -11.977 7.591 6.512 1.00 0.00 N ATOM 744 CA GLU A 52 -12.794 6.856 7.471 1.00 0.00 C ATOM 745 C GLU A 52 -12.470 7.281 8.900 1.00 0.00 C ATOM 746 O GLU A 52 -13.368 7.512 9.710 1.00 0.00 O ATOM 747 CB GLU A 52 -12.574 5.350 7.313 1.00 0.00 C ATOM 748 CG GLU A 52 -12.963 4.818 5.944 1.00 0.00 C ATOM 749 CD GLU A 52 -12.714 3.329 5.804 1.00 0.00 C ATOM 750 OE1 GLU A 52 -13.333 2.550 6.557 1.00 0.00 O ATOM 751 OE2 GLU A 52 -11.898 2.944 4.940 1.00 0.00 O ATOM 0 H GLU A 52 -11.216 7.049 6.102 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.840 7.086 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.524 5.124 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.151 4.825 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.018 5.024 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.399 5.350 5.178 1.00 0.00 H new ATOM 758 N LYS A 53 -11.181 7.383 9.203 1.00 0.00 N ATOM 759 CA LYS A 53 -10.736 7.781 10.534 1.00 0.00 C ATOM 760 C LYS A 53 -9.824 9.001 10.460 1.00 0.00 C ATOM 761 O LYS A 53 -8.601 8.888 10.376 1.00 0.00 O ATOM 762 CB LYS A 53 -10.003 6.623 11.216 1.00 0.00 C ATOM 763 CG LYS A 53 -10.907 5.457 11.574 1.00 0.00 C ATOM 764 CD LYS A 53 -10.148 4.141 11.570 1.00 0.00 C ATOM 765 CE LYS A 53 -10.819 3.107 12.462 1.00 0.00 C ATOM 766 NZ LYS A 53 -10.027 1.850 12.546 1.00 0.00 N ATOM 0 H LYS A 53 -10.425 7.195 8.545 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.616 8.042 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.210 6.268 10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.523 6.992 12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.344 5.623 12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.732 5.404 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.086 3.759 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.126 4.308 11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.951 3.521 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.814 2.884 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.517 1.171 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.922 1.441 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.087 2.058 12.939 1.00 0.00 H new ATOM 780 N PRO A 54 -10.430 10.197 10.493 1.00 0.00 N ATOM 781 CA PRO A 54 -9.691 11.461 10.434 1.00 0.00 C ATOM 782 C PRO A 54 -8.888 11.724 11.703 1.00 0.00 C ATOM 783 O PRO A 54 -7.832 12.354 11.660 1.00 0.00 O ATOM 784 CB PRO A 54 -10.794 12.510 10.273 1.00 0.00 C ATOM 785 CG PRO A 54 -12.005 11.880 10.869 1.00 0.00 C ATOM 786 CD PRO A 54 -11.884 10.407 10.593 1.00 0.00 C ATOM 0 HA PRO A 54 -8.957 11.466 9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.537 13.437 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.953 12.760 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.058 12.073 11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.914 12.287 10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.322 9.811 11.394 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.395 10.128 9.671 1.00 0.00 H new ATOM 794 N GLN A 55 -9.395 11.236 12.830 1.00 0.00 N ATOM 795 CA GLN A 55 -8.723 11.418 14.112 1.00 0.00 C ATOM 796 C GLN A 55 -7.241 11.079 14.003 1.00 0.00 C ATOM 797 O GLN A 55 -6.385 11.825 14.480 1.00 0.00 O ATOM 798 CB GLN A 55 -9.380 10.548 15.184 1.00 0.00 C ATOM 799 CG GLN A 55 -9.386 9.066 14.846 1.00 0.00 C ATOM 800 CD GLN A 55 -10.017 8.221 15.936 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.144 7.746 15.795 1.00 0.00 O ATOM 802 NE2 GLN A 55 -9.291 8.029 17.031 1.00 0.00 N ATOM 0 H GLN A 55 -10.268 10.712 12.882 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.817 12.466 14.397 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.857 10.694 16.129 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.407 10.882 15.332 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.928 8.912 13.913 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.362 8.731 14.679 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.361 8.442 17.105 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.663 7.469 17.798 1.00 0.00 H new ATOM 811 N LEU A 56 -6.943 9.948 13.372 1.00 0.00 N ATOM 812 CA LEU A 56 -5.562 9.509 13.200 1.00 0.00 C ATOM 813 C LEU A 56 -4.767 10.521 12.381 1.00 0.00 C ATOM 814 O LEU A 56 -3.685 10.947 12.783 1.00 0.00 O ATOM 815 CB LEU A 56 -5.523 8.140 12.518 1.00 0.00 C ATOM 816 CG LEU A 56 -6.373 7.045 13.163 1.00 0.00 C ATOM 817 CD1 LEU A 56 -6.437 5.820 12.263 1.00 0.00 C ATOM 818 CD2 LEU A 56 -5.819 6.675 14.531 1.00 0.00 C ATOM 0 H LEU A 56 -7.639 9.319 12.971 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.106 9.430 14.187 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.847 8.262 11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.488 7.800 12.490 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.385 7.428 13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.046 5.051 12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.881 6.094 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.430 5.436 12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.437 5.894 14.975 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.797 6.312 14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.826 7.554 15.176 1.00 0.00 H new ATOM 830 N GLY A 57 -5.312 10.903 11.230 1.00 0.00 N ATOM 831 CA GLY A 57 -4.641 11.863 10.374 1.00 0.00 C ATOM 832 C GLY A 57 -3.721 11.199 9.367 1.00 0.00 C ATOM 833 O GLY A 57 -4.146 10.326 8.612 1.00 0.00 O ATOM 0 H GLY A 57 -6.206 10.564 10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.386 12.456 9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.063 12.553 10.990 1.00 0.00 H new ATOM 837 N MET A 58 -2.460 11.616 9.356 1.00 0.00 N ATOM 838 CA MET A 58 -1.478 11.056 8.434 1.00 0.00 C ATOM 839 C MET A 58 -1.194 9.594 8.766 1.00 0.00 C ATOM 840 O MET A 58 -0.960 9.245 9.923 1.00 0.00 O ATOM 841 CB MET A 58 -0.180 11.864 8.484 1.00 0.00 C ATOM 842 CG MET A 58 -0.359 13.324 8.100 1.00 0.00 C ATOM 843 SD MET A 58 -1.034 13.528 6.440 1.00 0.00 S ATOM 844 CE MET A 58 -0.117 12.277 5.545 1.00 0.00 C ATOM 0 H MET A 58 -2.093 12.339 9.975 1.00 0.00 H new ATOM 0 HA MET A 58 -1.891 11.109 7.427 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.234 11.810 9.491 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.549 11.407 7.815 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.021 13.806 8.819 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.603 13.833 8.162 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.217 12.449 4.473 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.936 12.328 5.824 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.510 11.291 5.792 1.00 0.00 H new ATOM 854 N ILE A 59 -1.215 8.746 7.743 1.00 0.00 N ATOM 855 CA ILE A 59 -0.959 7.323 7.927 1.00 0.00 C ATOM 856 C ILE A 59 -0.141 6.758 6.770 1.00 0.00 C ATOM 857 O ILE A 59 0.181 7.469 5.818 1.00 0.00 O ATOM 858 CB ILE A 59 -2.270 6.525 8.051 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.092 6.650 6.767 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.073 7.010 9.249 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.107 5.542 6.589 1.00 0.00 C ATOM 0 H ILE A 59 -1.406 9.020 6.779 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.394 7.222 8.853 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.025 5.474 8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.610 7.609 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.416 6.654 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.997 6.437 9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.487 6.875 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.311 8.066 9.124 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.653 5.695 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.594 4.581 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.806 5.551 7.425 1.00 0.00 H new ATOM 873 N ASP A 60 0.190 5.474 6.859 1.00 0.00 N ATOM 874 CA ASP A 60 0.968 4.812 5.818 1.00 0.00 C ATOM 875 C ASP A 60 0.240 3.575 5.300 1.00 0.00 C ATOM 876 O ASP A 60 -0.147 2.700 6.076 1.00 0.00 O ATOM 877 CB ASP A 60 2.347 4.422 6.352 1.00 0.00 C ATOM 878 CG ASP A 60 3.091 5.600 6.949 1.00 0.00 C ATOM 879 OD1 ASP A 60 3.540 6.472 6.176 1.00 0.00 O ATOM 880 OD2 ASP A 60 3.223 5.651 8.189 1.00 0.00 O ATOM 0 H ASP A 60 -0.068 4.872 7.641 1.00 0.00 H new ATOM 0 HA ASP A 60 1.092 5.511 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.234 3.646 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.939 3.994 5.543 1.00 0.00 H new ATOM 885 N ARG A 61 0.057 3.509 3.986 1.00 0.00 N ATOM 886 CA ARG A 61 -0.626 2.380 3.365 1.00 0.00 C ATOM 887 C ARG A 61 0.283 1.682 2.357 1.00 0.00 C ATOM 888 O ARG A 61 1.394 2.138 2.089 1.00 0.00 O ATOM 889 CB ARG A 61 -1.907 2.849 2.673 1.00 0.00 C ATOM 890 CG ARG A 61 -2.930 3.446 3.626 1.00 0.00 C ATOM 891 CD ARG A 61 -3.407 2.423 4.644 1.00 0.00 C ATOM 892 NE ARG A 61 -3.961 1.232 4.005 1.00 0.00 N ATOM 893 CZ ARG A 61 -4.055 0.051 4.606 1.00 0.00 C ATOM 894 NH1 ARG A 61 -3.634 -0.096 5.855 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.571 -0.985 3.958 1.00 0.00 N ATOM 0 H ARG A 61 0.372 4.224 3.330 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.884 1.668 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.651 3.591 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.358 2.005 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.492 4.299 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.782 3.821 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.575 2.136 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.163 2.875 5.285 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.294 1.312 3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.237 0.699 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.707 -1.004 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.896 -0.875 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.643 -1.891 4.420 1.00 0.00 H new ATOM 909 N TRP A 62 -0.198 0.575 1.804 1.00 0.00 N ATOM 910 CA TRP A 62 0.572 -0.187 0.826 1.00 0.00 C ATOM 911 C TRP A 62 -0.314 -0.642 -0.329 1.00 0.00 C ATOM 912 O TRP A 62 -1.522 -0.812 -0.166 1.00 0.00 O ATOM 913 CB TRP A 62 1.225 -1.398 1.492 1.00 0.00 C ATOM 914 CG TRP A 62 2.060 -1.042 2.685 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.660 -1.027 3.990 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.436 -0.648 2.681 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.704 -0.647 4.798 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.806 -0.410 4.019 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.393 -0.475 1.677 1.00 0.00 C ATOM 920 CZ2 TRP A 62 5.090 -0.007 4.376 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.667 -0.075 2.033 1.00 0.00 C ATOM 922 CH2 TRP A 62 6.006 0.155 3.373 1.00 0.00 C ATOM 0 H TRP A 62 -1.116 0.185 2.015 1.00 0.00 H new ATOM 0 HA TRP A 62 1.351 0.463 0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.448 -2.099 1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.849 -1.913 0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.668 -1.277 4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.665 -0.556 5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.141 -0.651 0.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.353 0.171 5.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.414 0.063 1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 62 7.010 0.466 3.619 1.00 0.00 H new ATOM 933 N TYR A 63 0.294 -0.837 -1.494 1.00 0.00 N ATOM 934 CA TYR A 63 -0.441 -1.270 -2.676 1.00 0.00 C ATOM 935 C TYR A 63 0.476 -2.006 -3.648 1.00 0.00 C ATOM 936 O TYR A 63 1.701 -1.948 -3.530 1.00 0.00 O ATOM 937 CB TYR A 63 -1.082 -0.069 -3.373 1.00 0.00 C ATOM 938 CG TYR A 63 -2.110 0.645 -2.525 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.722 1.468 -1.474 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.469 0.497 -2.773 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.658 2.122 -0.696 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.411 1.148 -2.002 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.001 1.959 -0.964 1.00 0.00 C ATOM 944 OH TYR A 63 -4.937 2.609 -0.192 1.00 0.00 O ATOM 0 H TYR A 63 1.294 -0.702 -1.645 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.225 -1.955 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.301 0.637 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.555 -0.405 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.671 1.598 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.794 -0.139 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.340 2.757 0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.463 1.023 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.732 2.800 -0.733 1.00 0.00 H new ATOM 954 N HIS A 64 -0.125 -2.699 -4.610 1.00 0.00 N ATOM 955 CA HIS A 64 0.636 -3.447 -5.604 1.00 0.00 C ATOM 956 C HIS A 64 1.110 -2.529 -6.727 1.00 0.00 C ATOM 957 O HIS A 64 0.415 -1.600 -7.138 1.00 0.00 O ATOM 958 CB HIS A 64 -0.212 -4.581 -6.180 1.00 0.00 C ATOM 959 CG HIS A 64 -0.744 -5.518 -5.140 1.00 0.00 C ATOM 960 ND1 HIS A 64 -0.127 -6.136 -4.107 1.00 0.00 N flip ATOM 961 CD2 HIS A 64 -2.063 -5.919 -5.092 1.00 0.00 C flip ATOM 962 CE1 HIS A 64 -1.074 -6.890 -3.459 1.00 0.00 C flip ATOM 963 NE2 HIS A 64 -2.234 -6.741 -4.073 1.00 0.00 N flip ATOM 0 H HIS A 64 -1.137 -2.758 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 64 1.511 -3.873 -5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.048 -4.154 -6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.388 -5.146 -6.894 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.858 -6.057 -3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.835 -5.609 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.899 -7.505 -2.589 1.00 0.00 H new ATOM 971 N PRO A 65 2.323 -2.794 -7.236 1.00 0.00 N ATOM 972 CA PRO A 65 2.917 -2.003 -8.318 1.00 0.00 C ATOM 973 C PRO A 65 1.948 -1.782 -9.474 1.00 0.00 C ATOM 974 O PRO A 65 1.925 -0.712 -10.081 1.00 0.00 O ATOM 975 CB PRO A 65 4.104 -2.857 -8.771 1.00 0.00 C ATOM 976 CG PRO A 65 4.467 -3.666 -7.574 1.00 0.00 C ATOM 977 CD PRO A 65 3.207 -3.885 -6.794 1.00 0.00 C ATOM 0 HA PRO A 65 3.196 -1.003 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.835 -3.495 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.938 -2.235 -9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.907 -4.618 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.210 -3.147 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.772 -4.862 -7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.389 -3.842 -5.720 1.00 0.00 H new ATOM 985 N GLY A 66 1.148 -2.801 -9.773 1.00 0.00 N ATOM 986 CA GLY A 66 0.188 -2.697 -10.856 1.00 0.00 C ATOM 987 C GLY A 66 -1.007 -1.839 -10.491 1.00 0.00 C ATOM 988 O GLY A 66 -1.553 -1.130 -11.336 1.00 0.00 O ATOM 0 H GLY A 66 1.148 -3.696 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.679 -2.276 -11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.155 -3.695 -11.130 1.00 0.00 H new ATOM 992 N CYS A 67 -1.416 -1.903 -9.228 1.00 0.00 N ATOM 993 CA CYS A 67 -2.555 -1.127 -8.752 1.00 0.00 C ATOM 994 C CYS A 67 -2.157 0.325 -8.501 1.00 0.00 C ATOM 995 O CYS A 67 -2.988 1.230 -8.580 1.00 0.00 O ATOM 996 CB CYS A 67 -3.117 -1.742 -7.469 1.00 0.00 C ATOM 997 SG CYS A 67 -3.424 -3.535 -7.577 1.00 0.00 S ATOM 0 H CYS A 67 -0.975 -2.485 -8.515 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.324 -1.146 -9.524 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.421 -1.552 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.050 -1.239 -7.216 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.459 -4.102 -8.238 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.881 0.540 -8.199 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.373 1.881 -7.935 1.00 0.00 C ATOM 1004 C PHE A 68 -0.352 2.715 -9.213 1.00 0.00 C ATOM 1005 O PHE A 68 -0.562 3.927 -9.180 1.00 0.00 O ATOM 1006 CB PHE A 68 1.033 1.808 -7.337 1.00 0.00 C ATOM 1007 CG PHE A 68 1.633 3.155 -7.050 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.255 3.870 -5.925 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.575 3.705 -7.904 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.805 5.110 -5.659 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.129 4.944 -7.642 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.743 5.647 -6.518 1.00 0.00 C ATOM 0 H PHE A 68 -0.180 -0.197 -8.131 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.040 2.361 -7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.997 1.231 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.684 1.268 -8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.523 3.454 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.880 3.159 -8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.501 5.658 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.863 5.362 -8.316 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.174 6.615 -6.311 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.096 2.056 -10.339 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.048 2.735 -11.628 1.00 0.00 C ATOM 1024 C VAL A 69 -1.449 2.958 -12.184 1.00 0.00 C ATOM 1025 O VAL A 69 -1.767 4.038 -12.685 1.00 0.00 O ATOM 1026 CB VAL A 69 0.778 1.935 -12.653 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.863 2.686 -13.973 1.00 0.00 C ATOM 1028 CG2 VAL A 69 2.168 1.644 -12.106 1.00 0.00 C ATOM 0 H VAL A 69 0.081 1.053 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 69 0.431 3.700 -11.460 1.00 0.00 H new ATOM 0 HB VAL A 69 0.277 0.984 -12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.450 2.106 -14.685 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.141 2.839 -14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.340 3.653 -13.812 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.738 1.078 -12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.680 2.583 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.083 1.062 -11.188 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.286 1.930 -12.094 1.00 0.00 N ATOM 1039 CA LYS A 70 -3.656 2.013 -12.586 1.00 0.00 C ATOM 1040 C LYS A 70 -4.437 3.092 -11.844 1.00 0.00 C ATOM 1041 O LYS A 70 -5.161 3.878 -12.453 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.358 0.662 -12.430 1.00 0.00 C ATOM 1043 CG LYS A 70 -3.890 -0.385 -13.426 1.00 0.00 C ATOM 1044 CD LYS A 70 -4.907 -1.503 -13.579 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.940 -1.175 -14.647 1.00 0.00 C ATOM 1046 NZ LYS A 70 -5.365 -1.256 -16.018 1.00 0.00 N ATOM 0 H LYS A 70 -2.039 1.029 -11.685 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.620 2.278 -13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.191 0.290 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.433 0.805 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.716 0.085 -14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.937 -0.801 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.395 -2.429 -13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.409 -1.673 -12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.780 -1.865 -14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.333 -0.173 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.135 -1.331 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.806 -0.401 -16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.752 -2.093 -16.089 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.285 3.124 -10.524 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.975 4.108 -9.698 1.00 0.00 C ATOM 1062 C ASN A 71 -4.013 5.195 -9.227 1.00 0.00 C ATOM 1063 O ASN A 71 -4.160 5.735 -8.130 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.624 3.427 -8.491 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.642 2.379 -8.897 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.601 2.673 -9.611 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -6.438 1.149 -8.441 1.00 0.00 N ATOM 0 H ASN A 71 -3.690 2.480 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.752 4.574 -10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.850 2.961 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.109 4.180 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.090 0.402 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.629 0.951 -7.852 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.029 5.509 -10.063 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.043 6.531 -9.732 1.00 0.00 C ATOM 1076 C ARG A 72 -2.670 7.921 -9.757 1.00 0.00 C ATOM 1077 O ARG A 72 -2.280 8.802 -8.991 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.869 6.472 -10.711 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.216 6.957 -12.109 1.00 0.00 C ATOM 1080 CD ARG A 72 0.026 7.099 -12.974 1.00 0.00 C ATOM 1081 NE ARG A 72 0.616 8.431 -12.870 1.00 0.00 N ATOM 1082 CZ ARG A 72 0.144 9.496 -13.509 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -0.920 9.385 -14.293 1.00 0.00 N ATOM 1084 NH2 ARG A 72 0.736 10.674 -13.364 1.00 0.00 N ATOM 0 H ARG A 72 -2.893 5.071 -10.974 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.678 6.335 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.050 7.075 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.508 5.445 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.908 6.257 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.728 7.917 -12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.762 6.352 -12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.231 6.897 -14.014 1.00 0.00 H new ATOM 0 HE ARG A 72 1.435 8.550 -12.274 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.378 8.481 -14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.280 10.204 -14.782 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.554 10.763 -12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.373 11.491 -13.855 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.644 8.110 -10.643 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.324 9.394 -10.767 1.00 0.00 C ATOM 1100 C GLU A 73 -5.165 9.687 -9.528 1.00 0.00 C ATOM 1101 O GLU A 73 -5.128 10.792 -8.988 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.210 9.408 -12.014 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.435 9.578 -13.310 1.00 0.00 C ATOM 1104 CD GLU A 73 -5.317 9.457 -14.538 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.393 10.090 -14.561 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -4.931 8.728 -15.476 1.00 0.00 O ATOM 0 H GLU A 73 -3.979 7.391 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.565 10.171 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.775 8.477 -12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.935 10.217 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.948 10.553 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.646 8.827 -13.358 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.922 8.688 -9.085 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.774 8.839 -7.911 1.00 0.00 C ATOM 1115 C GLU A 74 -5.935 9.017 -6.649 1.00 0.00 C ATOM 1116 O GLU A 74 -6.286 9.795 -5.761 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.691 7.624 -7.759 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.820 7.834 -6.764 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.812 6.687 -6.757 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -10.579 6.558 -7.734 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -9.822 5.918 -5.773 1.00 0.00 O ATOM 0 H GLU A 74 -5.963 7.767 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.385 9.731 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.117 7.377 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.095 6.767 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.401 7.953 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.343 8.760 -7.003 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.824 8.291 -6.577 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.934 8.368 -5.424 1.00 0.00 C ATOM 1130 C LEU A 75 -3.259 9.734 -5.348 1.00 0.00 C ATOM 1131 O LEU A 75 -2.960 10.230 -4.262 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.875 7.266 -5.499 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.325 5.872 -5.062 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.258 4.839 -5.390 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.646 5.857 -3.575 1.00 0.00 C ATOM 0 H LEU A 75 -4.519 7.643 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.532 8.228 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.516 7.204 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.027 7.562 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.231 5.615 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.596 3.853 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.077 4.831 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.335 5.092 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.965 4.857 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.758 6.136 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.446 6.568 -3.368 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.023 10.338 -6.508 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.387 11.642 -6.550 1.00 0.00 C ATOM 1149 C GLY A 76 -0.935 11.565 -6.981 1.00 0.00 C ATOM 1150 O GLY A 76 -0.071 12.219 -6.396 1.00 0.00 O ATOM 0 H GLY A 76 -3.261 9.948 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.933 12.287 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.446 12.104 -5.564 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.665 10.763 -8.005 1.00 0.00 N ATOM 1155 CA PHE A 77 0.693 10.601 -8.512 1.00 0.00 C ATOM 1156 C PHE A 77 0.942 11.520 -9.703 1.00 0.00 C ATOM 1157 O PHE A 77 0.541 11.220 -10.828 1.00 0.00 O ATOM 1158 CB PHE A 77 0.938 9.145 -8.916 1.00 0.00 C ATOM 1159 CG PHE A 77 2.373 8.722 -8.787 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.065 8.921 -7.603 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.031 8.124 -9.850 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.385 8.532 -7.482 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.352 7.733 -9.735 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.029 7.936 -8.549 1.00 0.00 C ATOM 0 H PHE A 77 -1.368 10.215 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 77 1.387 10.872 -7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.319 8.495 -8.297 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.617 9.003 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.567 9.386 -6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.505 7.961 -10.779 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.913 8.694 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.854 7.269 -10.572 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.060 7.629 -8.456 1.00 0.00 H new ATOM 1174 N ARG A 78 1.605 12.643 -9.448 1.00 0.00 N ATOM 1175 CA ARG A 78 1.907 13.609 -10.498 1.00 0.00 C ATOM 1176 C ARG A 78 2.832 12.999 -11.547 1.00 0.00 C ATOM 1177 O ARG A 78 3.540 12.024 -11.295 1.00 0.00 O ATOM 1178 CB ARG A 78 2.551 14.860 -9.900 1.00 0.00 C ATOM 1179 CG ARG A 78 1.549 15.837 -9.305 1.00 0.00 C ATOM 1180 CD ARG A 78 2.231 16.858 -8.408 1.00 0.00 C ATOM 1181 NE ARG A 78 1.404 18.043 -8.201 1.00 0.00 N ATOM 1182 CZ ARG A 78 0.374 18.084 -7.363 1.00 0.00 C ATOM 1183 NH1 ARG A 78 0.047 17.011 -6.657 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -0.330 19.201 -7.230 1.00 0.00 N ATOM 0 H ARG A 78 1.944 12.907 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 78 0.971 13.887 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.257 14.560 -9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.125 15.368 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.021 16.352 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.802 15.289 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.457 16.401 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.182 17.153 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 78 1.629 18.886 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.587 16.151 -6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.744 17.045 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.080 20.029 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.121 19.232 -6.586 1.00 0.00 H new ATOM 1198 N PRO A 79 2.826 13.586 -12.754 1.00 0.00 N ATOM 1199 CA PRO A 79 3.659 13.117 -13.865 1.00 0.00 C ATOM 1200 C PRO A 79 5.141 13.387 -13.633 1.00 0.00 C ATOM 1201 O PRO A 79 5.973 13.120 -14.500 1.00 0.00 O ATOM 1202 CB PRO A 79 3.148 13.930 -15.058 1.00 0.00 C ATOM 1203 CG PRO A 79 2.571 15.165 -14.456 1.00 0.00 C ATOM 1204 CD PRO A 79 2.007 14.752 -13.125 1.00 0.00 C ATOM 0 HA PRO A 79 3.585 12.038 -14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.956 14.167 -15.750 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.397 13.376 -15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.334 15.934 -14.335 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.795 15.585 -15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.089 15.551 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.951 14.494 -13.199 1.00 0.00 H new ATOM 1212 N GLU A 80 5.465 13.917 -12.457 1.00 0.00 N ATOM 1213 CA GLU A 80 6.848 14.222 -12.112 1.00 0.00 C ATOM 1214 C GLU A 80 7.487 13.065 -11.349 1.00 0.00 C ATOM 1215 O GLU A 80 8.704 12.883 -11.381 1.00 0.00 O ATOM 1216 CB GLU A 80 6.918 15.500 -11.274 1.00 0.00 C ATOM 1217 CG GLU A 80 8.074 15.520 -10.289 1.00 0.00 C ATOM 1218 CD GLU A 80 8.583 16.922 -10.015 1.00 0.00 C ATOM 1219 OE1 GLU A 80 7.908 17.662 -9.269 1.00 0.00 O ATOM 1220 OE2 GLU A 80 9.656 17.278 -10.545 1.00 0.00 O ATOM 0 H GLU A 80 4.788 14.144 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 80 7.401 14.373 -13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.006 16.357 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.983 15.617 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.756 15.063 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.890 14.911 -10.679 1.00 0.00 H new ATOM 1227 N TYR A 81 6.657 12.286 -10.664 1.00 0.00 N ATOM 1228 CA TYR A 81 7.140 11.149 -9.890 1.00 0.00 C ATOM 1229 C TYR A 81 7.333 9.926 -10.782 1.00 0.00 C ATOM 1230 O TYR A 81 6.393 9.456 -11.423 1.00 0.00 O ATOM 1231 CB TYR A 81 6.161 10.821 -8.761 1.00 0.00 C ATOM 1232 CG TYR A 81 5.623 12.043 -8.052 1.00 0.00 C ATOM 1233 CD1 TYR A 81 6.427 13.156 -7.838 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.311 12.085 -7.596 1.00 0.00 C ATOM 1235 CE1 TYR A 81 5.940 14.275 -7.190 1.00 0.00 C ATOM 1236 CE2 TYR A 81 3.815 13.200 -6.949 1.00 0.00 C ATOM 1237 CZ TYR A 81 4.634 14.292 -6.748 1.00 0.00 C ATOM 1238 OH TYR A 81 4.144 15.404 -6.102 1.00 0.00 O ATOM 0 H TYR A 81 5.647 12.421 -10.629 1.00 0.00 H new ATOM 0 HA TYR A 81 8.104 11.418 -9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.326 10.251 -9.169 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.659 10.180 -8.034 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.450 13.146 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.668 11.231 -7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.579 15.131 -7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.792 13.217 -6.603 1.00 0.00 H new ATOM 0 HH TYR A 81 4.604 16.204 -6.433 1.00 0.00 H new ATOM 1248 N SER A 82 8.560 9.416 -10.817 1.00 0.00 N ATOM 1249 CA SER A 82 8.879 8.249 -11.632 1.00 0.00 C ATOM 1250 C SER A 82 9.454 7.127 -10.773 1.00 0.00 C ATOM 1251 O SER A 82 9.659 7.294 -9.571 1.00 0.00 O ATOM 1252 CB SER A 82 9.874 8.626 -12.731 1.00 0.00 C ATOM 1253 OG SER A 82 10.927 9.422 -12.215 1.00 0.00 O ATOM 0 H SER A 82 9.349 9.792 -10.291 1.00 0.00 H new ATOM 0 HA SER A 82 7.957 7.894 -12.092 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.284 7.722 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.358 9.169 -13.523 1.00 0.00 H new ATOM 0 HG SER A 82 11.550 9.648 -12.937 1.00 0.00 H new ATOM 1259 N ALA A 83 9.711 5.984 -11.399 1.00 0.00 N ATOM 1260 CA ALA A 83 10.264 4.834 -10.694 1.00 0.00 C ATOM 1261 C ALA A 83 11.601 5.178 -10.047 1.00 0.00 C ATOM 1262 O ALA A 83 11.959 4.624 -9.008 1.00 0.00 O ATOM 1263 CB ALA A 83 10.422 3.657 -11.645 1.00 0.00 C ATOM 0 H ALA A 83 9.545 5.829 -12.393 1.00 0.00 H new ATOM 0 HA ALA A 83 9.568 4.555 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.836 2.806 -11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.449 3.388 -12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.095 3.933 -12.457 1.00 0.00 H new ATOM 1269 N SER A 84 12.336 6.094 -10.669 1.00 0.00 N ATOM 1270 CA SER A 84 13.637 6.508 -10.156 1.00 0.00 C ATOM 1271 C SER A 84 13.477 7.441 -8.960 1.00 0.00 C ATOM 1272 O SER A 84 14.398 7.605 -8.160 1.00 0.00 O ATOM 1273 CB SER A 84 14.444 7.202 -11.254 1.00 0.00 C ATOM 1274 OG SER A 84 13.962 8.513 -11.492 1.00 0.00 O ATOM 0 H SER A 84 12.053 6.564 -11.529 1.00 0.00 H new ATOM 0 HA SER A 84 14.172 5.616 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.494 7.244 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.389 6.619 -12.173 1.00 0.00 H new ATOM 0 HG SER A 84 13.010 8.475 -11.719 1.00 0.00 H new ATOM 1280 N GLN A 85 12.301 8.051 -8.846 1.00 0.00 N ATOM 1281 CA GLN A 85 12.020 8.968 -7.748 1.00 0.00 C ATOM 1282 C GLN A 85 11.653 8.205 -6.480 1.00 0.00 C ATOM 1283 O GLN A 85 12.000 8.616 -5.372 1.00 0.00 O ATOM 1284 CB GLN A 85 10.886 9.921 -8.130 1.00 0.00 C ATOM 1285 CG GLN A 85 11.278 10.940 -9.188 1.00 0.00 C ATOM 1286 CD GLN A 85 12.178 12.031 -8.643 1.00 0.00 C ATOM 1287 OE1 GLN A 85 13.298 11.767 -8.204 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.693 13.267 -8.668 1.00 0.00 N ATOM 0 H GLN A 85 11.528 7.927 -9.500 1.00 0.00 H new ATOM 0 HA GLN A 85 12.922 9.547 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.040 9.338 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.549 10.448 -7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.786 10.431 -10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.377 11.391 -9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.760 13.441 -9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.254 14.042 -8.315 1.00 0.00 H new ATOM 1297 N LEU A 86 10.949 7.091 -6.650 1.00 0.00 N ATOM 1298 CA LEU A 86 10.534 6.269 -5.518 1.00 0.00 C ATOM 1299 C LEU A 86 11.719 5.952 -4.612 1.00 0.00 C ATOM 1300 O LEU A 86 12.809 5.633 -5.085 1.00 0.00 O ATOM 1301 CB LEU A 86 9.894 4.970 -6.014 1.00 0.00 C ATOM 1302 CG LEU A 86 8.576 5.118 -6.773 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.161 3.790 -7.387 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.486 5.646 -5.852 1.00 0.00 C ATOM 0 H LEU A 86 10.654 6.736 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 86 9.800 6.832 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.608 4.461 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.724 4.321 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 86 8.722 5.837 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.220 3.915 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.932 3.453 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.033 3.049 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.555 5.745 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.341 4.952 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.780 6.620 -5.461 1.00 0.00 H new ATOM 1316 N LYS A 87 11.497 6.040 -3.304 1.00 0.00 N ATOM 1317 CA LYS A 87 12.544 5.760 -2.330 1.00 0.00 C ATOM 1318 C LYS A 87 12.968 4.296 -2.393 1.00 0.00 C ATOM 1319 O LYS A 87 12.248 3.453 -2.926 1.00 0.00 O ATOM 1320 CB LYS A 87 12.061 6.101 -0.918 1.00 0.00 C ATOM 1321 CG LYS A 87 13.181 6.193 0.103 1.00 0.00 C ATOM 1322 CD LYS A 87 12.677 6.715 1.438 1.00 0.00 C ATOM 1323 CE LYS A 87 13.700 6.498 2.543 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.053 6.344 3.875 1.00 0.00 N ATOM 0 H LYS A 87 10.600 6.303 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 87 13.406 6.381 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.527 7.051 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.347 5.343 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.630 5.209 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.965 6.851 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.452 7.778 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.746 6.212 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.291 5.609 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.390 7.341 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.783 6.198 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.509 7.202 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.414 5.524 3.858 1.00 0.00 H new ATOM 1338 N GLY A 88 14.142 4.000 -1.843 1.00 0.00 N ATOM 1339 CA GLY A 88 14.641 2.637 -1.846 1.00 0.00 C ATOM 1340 C GLY A 88 14.369 1.923 -3.155 1.00 0.00 C ATOM 1341 O GLY A 88 14.161 0.710 -3.178 1.00 0.00 O ATOM 0 H GLY A 88 14.756 4.680 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.714 2.646 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.178 2.082 -1.030 1.00 0.00 H new ATOM 1345 N PHE A 89 14.367 2.678 -4.250 1.00 0.00 N ATOM 1346 CA PHE A 89 14.115 2.110 -5.569 1.00 0.00 C ATOM 1347 C PHE A 89 15.405 1.580 -6.188 1.00 0.00 C ATOM 1348 O PHE A 89 15.440 0.473 -6.725 1.00 0.00 O ATOM 1349 CB PHE A 89 13.489 3.161 -6.488 1.00 0.00 C ATOM 1350 CG PHE A 89 13.570 2.807 -7.946 1.00 0.00 C ATOM 1351 CD1 PHE A 89 14.684 3.150 -8.695 1.00 0.00 C ATOM 1352 CD2 PHE A 89 12.532 2.132 -8.567 1.00 0.00 C ATOM 1353 CE1 PHE A 89 14.762 2.825 -10.036 1.00 0.00 C ATOM 1354 CE2 PHE A 89 12.604 1.804 -9.908 1.00 0.00 C ATOM 1355 CZ PHE A 89 13.720 2.153 -10.643 1.00 0.00 C ATOM 0 H PHE A 89 14.537 3.684 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 89 13.420 1.278 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.443 3.296 -6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 89 13.987 4.117 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.501 3.678 -8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.656 1.859 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 89 15.637 3.096 -10.608 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.789 1.276 -10.380 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.777 1.900 -11.691 1.00 0.00 H new ATOM 1365 N SER A 90 16.464 2.380 -6.111 1.00 0.00 N ATOM 1366 CA SER A 90 17.756 1.995 -6.667 1.00 0.00 C ATOM 1367 C SER A 90 18.291 0.742 -5.980 1.00 0.00 C ATOM 1368 O SER A 90 18.982 -0.071 -6.596 1.00 0.00 O ATOM 1369 CB SER A 90 18.760 3.139 -6.520 1.00 0.00 C ATOM 1370 OG SER A 90 19.746 3.087 -7.537 1.00 0.00 O ATOM 0 H SER A 90 16.453 3.299 -5.669 1.00 0.00 H new ATOM 0 HA SER A 90 17.618 1.777 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.237 4.094 -6.565 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.238 3.084 -5.542 1.00 0.00 H new ATOM 0 HG SER A 90 20.375 3.830 -7.421 1.00 0.00 H new ATOM 1376 N LEU A 91 17.968 0.593 -4.700 1.00 0.00 N ATOM 1377 CA LEU A 91 18.416 -0.560 -3.927 1.00 0.00 C ATOM 1378 C LEU A 91 17.820 -1.851 -4.480 1.00 0.00 C ATOM 1379 O LEU A 91 18.503 -2.871 -4.578 1.00 0.00 O ATOM 1380 CB LEU A 91 18.029 -0.395 -2.457 1.00 0.00 C ATOM 1381 CG LEU A 91 18.545 0.867 -1.764 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.953 0.990 -0.369 1.00 0.00 C ATOM 1383 CD2 LEU A 91 20.065 0.857 -1.702 1.00 0.00 C ATOM 0 H LEU A 91 17.398 1.256 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 91 19.502 -0.620 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.941 -0.406 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 91 18.394 -1.262 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 91 18.231 1.733 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 91 18.332 1.894 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.867 1.044 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 91 18.236 0.120 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.415 1.762 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 91 20.401 -0.016 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.470 0.818 -2.713 1.00 0.00 H new ATOM 1395 N LEU A 92 16.543 -1.799 -4.842 1.00 0.00 N ATOM 1396 CA LEU A 92 15.854 -2.963 -5.388 1.00 0.00 C ATOM 1397 C LEU A 92 16.700 -3.644 -6.459 1.00 0.00 C ATOM 1398 O LEU A 92 17.542 -3.010 -7.095 1.00 0.00 O ATOM 1399 CB LEU A 92 14.502 -2.552 -5.975 1.00 0.00 C ATOM 1400 CG LEU A 92 13.547 -1.833 -5.022 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.444 -1.133 -5.800 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.956 -2.813 -4.019 1.00 0.00 C ATOM 0 H LEU A 92 15.963 -0.963 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 92 15.690 -3.671 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.683 -1.905 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.004 -3.446 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 92 14.111 -1.079 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.774 -0.627 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.885 -0.402 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.882 -1.868 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.279 -2.284 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.407 -3.590 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.759 -3.268 -3.439 1.00 0.00 H new ATOM 1414 N ALA A 93 16.470 -4.938 -6.654 1.00 0.00 N ATOM 1415 CA ALA A 93 17.208 -5.704 -7.650 1.00 0.00 C ATOM 1416 C ALA A 93 16.883 -5.226 -9.061 1.00 0.00 C ATOM 1417 O ALA A 93 15.730 -4.933 -9.379 1.00 0.00 O ATOM 1418 CB ALA A 93 16.901 -7.188 -7.510 1.00 0.00 C ATOM 0 H ALA A 93 15.778 -5.478 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 93 18.273 -5.547 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.459 -7.747 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.190 -7.527 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.833 -7.354 -7.654 1.00 0.00 H new ATOM 1424 N THR A 94 17.907 -5.149 -9.906 1.00 0.00 N ATOM 1425 CA THR A 94 17.731 -4.704 -11.282 1.00 0.00 C ATOM 1426 C THR A 94 16.419 -5.220 -11.863 1.00 0.00 C ATOM 1427 O THR A 94 15.588 -4.441 -12.329 1.00 0.00 O ATOM 1428 CB THR A 94 18.894 -5.172 -12.177 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.129 -4.625 -11.702 1.00 0.00 O ATOM 1430 CG2 THR A 94 18.669 -4.751 -13.621 1.00 0.00 C ATOM 0 H THR A 94 18.867 -5.389 -9.660 1.00 0.00 H new ATOM 0 HA THR A 94 17.713 -3.614 -11.262 1.00 0.00 H new ATOM 0 HB THR A 94 18.940 -6.260 -12.136 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.863 -4.929 -12.275 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.503 -5.093 -14.234 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.743 -5.193 -13.989 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.599 -3.665 -13.677 1.00 0.00 H new ATOM 1438 N GLU A 95 16.240 -6.537 -11.831 1.00 0.00 N ATOM 1439 CA GLU A 95 15.027 -7.155 -12.354 1.00 0.00 C ATOM 1440 C GLU A 95 13.783 -6.464 -11.804 1.00 0.00 C ATOM 1441 O GLU A 95 12.823 -6.218 -12.534 1.00 0.00 O ATOM 1442 CB GLU A 95 14.995 -8.644 -12.003 1.00 0.00 C ATOM 1443 CG GLU A 95 15.012 -8.917 -10.508 1.00 0.00 C ATOM 1444 CD GLU A 95 15.033 -10.399 -10.186 1.00 0.00 C ATOM 1445 OE1 GLU A 95 16.110 -11.018 -10.311 1.00 0.00 O ATOM 1446 OE2 GLU A 95 13.972 -10.938 -9.809 1.00 0.00 O ATOM 0 H GLU A 95 16.919 -7.196 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 95 15.032 -7.045 -13.438 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.100 -9.092 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.852 -9.136 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.887 -8.440 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.134 -8.462 -10.049 1.00 0.00 H new ATOM 1453 N ASP A 96 13.808 -6.155 -10.513 1.00 0.00 N ATOM 1454 CA ASP A 96 12.682 -5.492 -9.864 1.00 0.00 C ATOM 1455 C ASP A 96 12.542 -4.054 -10.354 1.00 0.00 C ATOM 1456 O ASP A 96 11.437 -3.518 -10.430 1.00 0.00 O ATOM 1457 CB ASP A 96 12.859 -5.512 -8.344 1.00 0.00 C ATOM 1458 CG ASP A 96 12.488 -6.850 -7.736 1.00 0.00 C ATOM 1459 OD1 ASP A 96 13.024 -7.880 -8.195 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.662 -6.866 -6.799 1.00 0.00 O ATOM 0 H ASP A 96 14.595 -6.353 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 96 11.773 -6.035 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.895 -5.279 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.243 -4.731 -7.899 1.00 0.00 H new ATOM 1465 N LYS A 97 13.670 -3.435 -10.684 1.00 0.00 N ATOM 1466 CA LYS A 97 13.675 -2.059 -11.167 1.00 0.00 C ATOM 1467 C LYS A 97 12.938 -1.947 -12.497 1.00 0.00 C ATOM 1468 O LYS A 97 12.188 -0.998 -12.723 1.00 0.00 O ATOM 1469 CB LYS A 97 15.112 -1.557 -11.324 1.00 0.00 C ATOM 1470 CG LYS A 97 15.860 -1.431 -10.008 1.00 0.00 C ATOM 1471 CD LYS A 97 16.898 -0.323 -10.060 1.00 0.00 C ATOM 1472 CE LYS A 97 18.074 -0.616 -9.141 1.00 0.00 C ATOM 1473 NZ LYS A 97 19.124 -1.421 -9.824 1.00 0.00 N ATOM 0 H LYS A 97 14.593 -3.865 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 97 13.159 -1.441 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.656 -2.238 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.097 -0.585 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.152 -1.230 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.348 -2.377 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.255 -0.206 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.437 0.622 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.505 0.322 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.722 -1.152 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.392 -2.225 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.756 -1.775 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.959 -0.826 -9.998 1.00 0.00 H new ATOM 1487 N GLU A 98 13.156 -2.923 -13.374 1.00 0.00 N ATOM 1488 CA GLU A 98 12.511 -2.932 -14.682 1.00 0.00 C ATOM 1489 C GLU A 98 10.997 -3.059 -14.540 1.00 0.00 C ATOM 1490 O GLU A 98 10.240 -2.311 -15.159 1.00 0.00 O ATOM 1491 CB GLU A 98 13.053 -4.081 -15.534 1.00 0.00 C ATOM 1492 CG GLU A 98 14.533 -3.957 -15.853 1.00 0.00 C ATOM 1493 CD GLU A 98 15.101 -5.212 -16.486 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.286 -6.211 -15.759 1.00 0.00 O ATOM 1495 OE2 GLU A 98 15.361 -5.197 -17.707 1.00 0.00 O ATOM 0 H GLU A 98 13.774 -3.716 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 98 12.734 -1.987 -15.176 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.880 -5.022 -15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.491 -4.126 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.686 -3.114 -16.527 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.081 -3.737 -14.937 1.00 0.00 H new ATOM 1502 N ALA A 99 10.563 -4.012 -13.722 1.00 0.00 N ATOM 1503 CA ALA A 99 9.140 -4.237 -13.498 1.00 0.00 C ATOM 1504 C ALA A 99 8.426 -2.934 -13.152 1.00 0.00 C ATOM 1505 O ALA A 99 7.222 -2.797 -13.371 1.00 0.00 O ATOM 1506 CB ALA A 99 8.935 -5.262 -12.393 1.00 0.00 C ATOM 0 H ALA A 99 11.176 -4.641 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 99 8.709 -4.623 -14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.868 -5.420 -12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.403 -6.204 -12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.387 -4.898 -11.470 1.00 0.00 H new ATOM 1512 N LEU A 100 9.175 -1.980 -12.612 1.00 0.00 N ATOM 1513 CA LEU A 100 8.614 -0.687 -12.235 1.00 0.00 C ATOM 1514 C LEU A 100 8.693 0.300 -13.395 1.00 0.00 C ATOM 1515 O LEU A 100 7.760 1.066 -13.637 1.00 0.00 O ATOM 1516 CB LEU A 100 9.351 -0.123 -11.019 1.00 0.00 C ATOM 1517 CG LEU A 100 9.211 -0.918 -9.721 1.00 0.00 C ATOM 1518 CD1 LEU A 100 10.071 -0.308 -8.625 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.754 -0.976 -9.286 1.00 0.00 C ATOM 0 H LEU A 100 10.173 -2.077 -12.425 1.00 0.00 H new ATOM 0 HA LEU A 100 7.565 -0.835 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.411 -0.049 -11.264 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.993 0.891 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 100 9.557 -1.936 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.958 -0.888 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.116 -0.318 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.756 0.720 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.673 -1.546 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.382 0.036 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.161 -1.460 -10.063 1.00 0.00 H new ATOM 1531 N LYS A 101 9.812 0.274 -14.111 1.00 0.00 N ATOM 1532 CA LYS A 101 10.013 1.164 -15.249 1.00 0.00 C ATOM 1533 C LYS A 101 8.988 0.887 -16.344 1.00 0.00 C ATOM 1534 O LYS A 101 8.442 1.812 -16.946 1.00 0.00 O ATOM 1535 CB LYS A 101 11.428 0.999 -15.807 1.00 0.00 C ATOM 1536 CG LYS A 101 12.516 1.459 -14.852 1.00 0.00 C ATOM 1537 CD LYS A 101 13.872 0.890 -15.236 1.00 0.00 C ATOM 1538 CE LYS A 101 14.825 0.873 -14.051 1.00 0.00 C ATOM 1539 NZ LYS A 101 15.487 2.192 -13.853 1.00 0.00 N ATOM 0 H LYS A 101 10.594 -0.354 -13.924 1.00 0.00 H new ATOM 0 HA LYS A 101 9.882 2.190 -14.904 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.592 -0.050 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.511 1.562 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.564 2.548 -14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.265 1.150 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.748 -0.123 -15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.302 1.485 -16.042 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.277 0.602 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.583 0.106 -14.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.128 2.139 -13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.031 2.439 -14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.765 2.920 -13.680 1.00 0.00 H new ATOM 1553 N LYS A 102 8.729 -0.392 -16.596 1.00 0.00 N ATOM 1554 CA LYS A 102 7.767 -0.791 -17.617 1.00 0.00 C ATOM 1555 C LYS A 102 6.433 -0.081 -17.415 1.00 0.00 C ATOM 1556 O LYS A 102 5.809 0.371 -18.374 1.00 0.00 O ATOM 1557 CB LYS A 102 7.560 -2.307 -17.585 1.00 0.00 C ATOM 1558 CG LYS A 102 6.554 -2.762 -16.542 1.00 0.00 C ATOM 1559 CD LYS A 102 6.645 -4.258 -16.295 1.00 0.00 C ATOM 1560 CE LYS A 102 5.697 -5.032 -17.199 1.00 0.00 C ATOM 1561 NZ LYS A 102 6.046 -6.478 -17.260 1.00 0.00 N ATOM 0 H LYS A 102 9.172 -1.170 -16.107 1.00 0.00 H new ATOM 0 HA LYS A 102 8.167 -0.505 -18.590 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.228 -2.641 -18.568 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.517 -2.792 -17.391 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.729 -2.227 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.547 -2.507 -16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.668 -4.594 -16.466 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.409 -4.470 -15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.676 -4.920 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.726 -4.609 -18.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.377 -6.970 -17.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.011 -6.587 -17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.994 -6.888 -16.306 1.00 0.00 H new ATOM 1575 N GLN A 103 6.002 0.015 -16.161 1.00 0.00 N ATOM 1576 CA GLN A 103 4.742 0.672 -15.834 1.00 0.00 C ATOM 1577 C GLN A 103 4.909 2.188 -15.808 1.00 0.00 C ATOM 1578 O GLN A 103 3.984 2.931 -16.137 1.00 0.00 O ATOM 1579 CB GLN A 103 4.222 0.181 -14.482 1.00 0.00 C ATOM 1580 CG GLN A 103 4.081 -1.330 -14.397 1.00 0.00 C ATOM 1581 CD GLN A 103 2.734 -1.819 -14.891 1.00 0.00 C ATOM 1582 OE1 GLN A 103 1.809 -2.025 -14.105 1.00 0.00 O ATOM 1583 NE2 GLN A 103 2.615 -2.009 -16.200 1.00 0.00 N ATOM 0 H GLN A 103 6.507 -0.354 -15.355 1.00 0.00 H new ATOM 0 HA GLN A 103 4.018 0.418 -16.608 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.899 0.519 -13.697 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.253 0.640 -14.287 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.871 -1.798 -14.984 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.222 -1.647 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.407 -1.826 -16.816 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.731 -2.338 -16.589 1.00 0.00 H new ATOM 1592 N LEU A 104 6.094 2.641 -15.414 1.00 0.00 N ATOM 1593 CA LEU A 104 6.383 4.069 -15.343 1.00 0.00 C ATOM 1594 C LEU A 104 7.452 4.459 -16.359 1.00 0.00 C ATOM 1595 O LEU A 104 8.652 4.369 -16.100 1.00 0.00 O ATOM 1596 CB LEU A 104 6.841 4.448 -13.934 1.00 0.00 C ATOM 1597 CG LEU A 104 6.023 3.861 -12.782 1.00 0.00 C ATOM 1598 CD1 LEU A 104 6.852 3.817 -11.508 1.00 0.00 C ATOM 1599 CD2 LEU A 104 4.751 4.668 -12.566 1.00 0.00 C ATOM 0 H LEU A 104 6.871 2.040 -15.139 1.00 0.00 H new ATOM 0 HA LEU A 104 5.468 4.612 -15.579 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.878 4.134 -13.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.825 5.534 -13.848 1.00 0.00 H new ATOM 0 HG LEU A 104 5.742 2.841 -13.043 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.254 3.397 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.733 3.196 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.164 4.827 -11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.182 4.236 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.011 5.699 -12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.148 4.647 -13.474 1.00 0.00 H new ATOM 1611 N PRO A 105 7.008 4.904 -17.544 1.00 0.00 N ATOM 1612 CA PRO A 105 7.911 5.319 -18.622 1.00 0.00 C ATOM 1613 C PRO A 105 8.642 6.617 -18.298 1.00 0.00 C ATOM 1614 O PRO A 105 9.393 7.140 -19.120 1.00 0.00 O ATOM 1615 CB PRO A 105 6.971 5.518 -19.814 1.00 0.00 C ATOM 1616 CG PRO A 105 5.645 5.819 -19.206 1.00 0.00 C ATOM 1617 CD PRO A 105 5.591 5.036 -17.923 1.00 0.00 C ATOM 0 HA PRO A 105 8.698 4.586 -18.800 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.308 6.335 -20.452 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.927 4.625 -20.437 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.536 6.887 -19.016 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.834 5.529 -19.874 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.017 5.558 -17.157 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.121 4.063 -18.066 1.00 0.00 H new ATOM 1625 N GLY A 106 8.418 7.133 -17.093 1.00 0.00 N ATOM 1626 CA GLY A 106 9.063 8.366 -16.682 1.00 0.00 C ATOM 1627 C GLY A 106 8.213 9.588 -16.965 1.00 0.00 C ATOM 1628 O GLY A 106 8.697 10.577 -17.516 1.00 0.00 O ATOM 0 H GLY A 106 7.801 6.719 -16.394 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.283 8.319 -15.615 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.017 8.463 -17.200 1.00 0.00 H new