USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=28 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 47 TYR OH : rot 180:sc= 0.76 USER MOD Set 1.2: A 101 TYR OH : rot -127:sc= 2.09 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.85! C(o=-3.9!,f=-2.2!) USER MOD Single : A 18 SER OG : rot -45:sc= 0.122 USER MOD Single : A 19 GLN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.348 X(o=0.35,f=0.64) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 26 SER OG : rot -45:sc= 0.402 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -1.48 (180deg=-1.54) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0684 (180deg=-0.405) USER MOD Single : A 41 THR OG1 : rot 119:sc= 0.637 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -39:sc= 1.26 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -46:sc= 1.76 USER MOD Single : A 55 MET CE :methyl 161:sc= 0 (180deg=-0.438) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 83:sc= 1.94 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.0952 (180deg=-0.598) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= 0.107 (180deg=-0.0678) USER MOD Single : A 71 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.7!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.428 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.544 K(o=0.54,f=-0.24) USER MOD Single : A 89 THR OG1 : rot 68:sc= 0.0379 USER MOD Single : A 91 ASN : amide:sc= -0.668 K(o=-0.67,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0504 (180deg=-0.306) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -14.709 2.268 7.848 1.00 0.00 N ATOM 136 CA LEU A 9 -13.310 2.164 7.491 1.00 0.00 C ATOM 137 C LEU A 9 -13.351 1.191 6.365 1.00 0.00 C ATOM 138 O LEU A 9 -14.451 0.735 6.026 1.00 0.00 O ATOM 139 CB LEU A 9 -12.423 1.592 8.653 1.00 0.00 C ATOM 140 CG LEU A 9 -12.351 0.044 8.858 1.00 0.00 C ATOM 141 CD1 LEU A 9 -11.503 -0.301 10.057 1.00 0.00 C ATOM 142 CD2 LEU A 9 -13.715 -0.626 8.944 1.00 0.00 C ATOM 0 HA LEU A 9 -12.871 3.133 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.406 1.951 8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.778 2.032 9.585 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.878 -0.356 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.468 -1.384 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.492 0.080 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.935 0.151 10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.585 -1.699 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.271 -0.213 9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.267 -0.447 8.022 1.00 0.00 H new ATOM 154 N GLU A 10 -12.276 0.844 5.764 1.00 0.00 N ATOM 155 CA GLU A 10 -12.417 -0.176 4.797 1.00 0.00 C ATOM 156 C GLU A 10 -11.352 -1.229 4.830 1.00 0.00 C ATOM 157 O GLU A 10 -10.159 -0.939 4.776 1.00 0.00 O ATOM 158 CB GLU A 10 -12.696 0.360 3.415 1.00 0.00 C ATOM 159 CG GLU A 10 -12.976 -0.731 2.425 1.00 0.00 C ATOM 160 CD GLU A 10 -13.556 -0.225 1.139 1.00 0.00 C ATOM 161 OE1 GLU A 10 -12.978 0.665 0.516 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.658 -0.686 0.763 1.00 0.00 O ATOM 0 H GLU A 10 -11.341 1.224 5.910 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.316 -0.714 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.549 1.037 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.841 0.945 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.051 -1.267 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.665 -1.449 2.870 1.00 0.00 H new ATOM 169 N GLU A 11 -11.797 -2.454 4.982 1.00 0.00 N ATOM 170 CA GLU A 11 -10.988 -3.560 4.868 1.00 0.00 C ATOM 171 C GLU A 11 -10.910 -3.955 3.447 1.00 0.00 C ATOM 172 O GLU A 11 -11.912 -4.301 2.815 1.00 0.00 O ATOM 173 CB GLU A 11 -11.510 -4.702 5.691 1.00 0.00 C ATOM 174 CG GLU A 11 -10.781 -6.003 5.432 1.00 0.00 C ATOM 175 CD GLU A 11 -11.224 -7.094 6.380 1.00 0.00 C ATOM 176 OE1 GLU A 11 -10.650 -7.208 7.494 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.178 -7.833 6.046 1.00 0.00 O ATOM 0 H GLU A 11 -12.770 -2.675 5.195 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.995 -3.308 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.425 -4.449 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.571 -4.839 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.958 -6.320 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.708 -5.845 5.536 1.00 0.00 H new ATOM 184 N PHE A 12 -9.770 -3.863 2.957 1.00 0.00 N ATOM 185 CA PHE A 12 -9.471 -4.262 1.669 1.00 0.00 C ATOM 186 C PHE A 12 -8.793 -5.559 1.703 1.00 0.00 C ATOM 187 O PHE A 12 -8.041 -5.820 2.607 1.00 0.00 O ATOM 188 CB PHE A 12 -8.513 -3.310 1.078 1.00 0.00 C ATOM 189 CG PHE A 12 -9.065 -2.004 0.611 1.00 0.00 C ATOM 190 CD1 PHE A 12 -9.555 -1.865 -0.673 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.079 -0.902 1.451 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.050 -0.656 -1.113 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.574 0.307 1.019 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.059 0.430 -0.265 1.00 0.00 C ATOM 0 H PHE A 12 -8.971 -3.487 3.467 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.397 -4.312 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.737 -3.107 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.029 -3.797 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.550 -2.714 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.697 -0.993 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.430 -0.560 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.582 1.157 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.446 1.378 -0.607 1.00 0.00 H new ATOM 204 N THR A 13 -9.040 -6.370 0.748 1.00 0.00 N ATOM 205 CA THR A 13 -8.276 -7.540 0.620 1.00 0.00 C ATOM 206 C THR A 13 -7.302 -7.278 -0.538 1.00 0.00 C ATOM 207 O THR A 13 -7.659 -6.592 -1.477 1.00 0.00 O ATOM 208 CB THR A 13 -9.151 -8.761 0.375 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.232 -8.777 1.337 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.331 -10.009 0.580 1.00 0.00 C ATOM 0 H THR A 13 -9.767 -6.242 0.044 1.00 0.00 H new ATOM 0 HA THR A 13 -7.735 -7.766 1.539 1.00 0.00 H new ATOM 0 HB THR A 13 -9.544 -8.722 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.798 -9.562 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.954 -10.886 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.494 -10.013 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.951 -10.031 1.601 1.00 0.00 H new ATOM 218 N ALA A 14 -6.116 -7.815 -0.470 1.00 0.00 N ATOM 219 CA ALA A 14 -5.009 -7.407 -1.374 1.00 0.00 C ATOM 220 C ALA A 14 -5.251 -7.673 -2.854 1.00 0.00 C ATOM 221 O ALA A 14 -5.013 -6.797 -3.688 1.00 0.00 O ATOM 222 CB ALA A 14 -3.681 -7.973 -0.925 1.00 0.00 C ATOM 0 H ALA A 14 -5.863 -8.543 0.198 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.976 -6.321 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.898 -7.652 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.453 -7.614 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.733 -9.062 -0.918 1.00 0.00 H new ATOM 228 N GLU A 15 -5.738 -8.857 -3.178 1.00 0.00 N ATOM 229 CA GLU A 15 -6.014 -9.231 -4.570 1.00 0.00 C ATOM 230 C GLU A 15 -7.104 -8.272 -5.108 1.00 0.00 C ATOM 231 O GLU A 15 -7.072 -7.819 -6.250 1.00 0.00 O ATOM 232 CB GLU A 15 -6.485 -10.713 -4.587 1.00 0.00 C ATOM 233 CG GLU A 15 -6.449 -11.455 -5.938 1.00 0.00 C ATOM 234 CD GLU A 15 -7.333 -10.878 -7.006 1.00 0.00 C ATOM 235 OE1 GLU A 15 -8.568 -10.993 -6.894 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.803 -10.301 -7.977 1.00 0.00 O ATOM 0 H GLU A 15 -5.955 -9.586 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.132 -9.146 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.869 -11.270 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.508 -10.745 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.422 -11.463 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.736 -12.493 -5.772 1.00 0.00 H new ATOM 243 N GLN A 16 -8.013 -7.928 -4.230 1.00 0.00 N ATOM 244 CA GLN A 16 -9.108 -7.032 -4.521 1.00 0.00 C ATOM 245 C GLN A 16 -8.665 -5.572 -4.570 1.00 0.00 C ATOM 246 O GLN A 16 -9.229 -4.769 -5.305 1.00 0.00 O ATOM 247 CB GLN A 16 -10.195 -7.249 -3.526 1.00 0.00 C ATOM 248 CG GLN A 16 -10.851 -8.585 -3.714 1.00 0.00 C ATOM 249 CD GLN A 16 -11.621 -8.988 -2.531 1.00 0.00 C ATOM 250 OE1 GLN A 16 -12.790 -8.678 -2.388 1.00 0.00 O ATOM 251 NE2 GLN A 16 -10.983 -9.729 -1.704 1.00 0.00 N ATOM 0 H GLN A 16 -8.013 -8.271 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.487 -7.259 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.786 -7.181 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.940 -6.459 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.511 -8.547 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.090 -9.336 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.003 -9.957 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.454 -10.091 -0.875 1.00 0.00 H new ATOM 260 N LEU A 17 -7.662 -5.239 -3.774 1.00 0.00 N ATOM 261 CA LEU A 17 -7.079 -3.899 -3.744 1.00 0.00 C ATOM 262 C LEU A 17 -6.397 -3.594 -5.066 1.00 0.00 C ATOM 263 O LEU A 17 -6.327 -2.440 -5.492 1.00 0.00 O ATOM 264 CB LEU A 17 -6.050 -3.780 -2.612 1.00 0.00 C ATOM 265 CG LEU A 17 -5.340 -2.426 -2.497 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.300 -1.330 -2.128 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.211 -2.482 -1.517 1.00 0.00 C ATOM 0 H LEU A 17 -7.224 -5.892 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.885 -3.185 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.552 -3.988 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.295 -4.554 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.927 -2.198 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.762 -0.385 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.072 -1.250 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.762 -1.559 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.730 -1.506 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.595 -2.755 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.484 -3.226 -1.842 1.00 0.00 H new ATOM 279 N SER A 18 -5.955 -4.647 -5.740 1.00 0.00 N ATOM 280 CA SER A 18 -5.228 -4.565 -7.005 1.00 0.00 C ATOM 281 C SER A 18 -6.175 -4.124 -8.162 1.00 0.00 C ATOM 282 O SER A 18 -5.885 -4.316 -9.344 1.00 0.00 O ATOM 283 CB SER A 18 -4.618 -5.948 -7.292 1.00 0.00 C ATOM 284 OG SER A 18 -3.634 -5.914 -8.324 1.00 0.00 O ATOM 0 H SER A 18 -6.094 -5.605 -5.417 1.00 0.00 H new ATOM 0 HA SER A 18 -4.439 -3.816 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.168 -6.338 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.412 -6.639 -7.576 1.00 0.00 H new ATOM 0 HG SER A 18 -3.967 -5.381 -9.076 1.00 0.00 H new ATOM 290 N GLN A 19 -7.290 -3.516 -7.799 1.00 0.00 N ATOM 291 CA GLN A 19 -8.256 -3.014 -8.745 1.00 0.00 C ATOM 292 C GLN A 19 -8.415 -1.507 -8.504 1.00 0.00 C ATOM 293 O GLN A 19 -9.213 -0.826 -9.164 1.00 0.00 O ATOM 294 CB GLN A 19 -9.593 -3.709 -8.527 1.00 0.00 C ATOM 295 CG GLN A 19 -9.482 -5.218 -8.418 1.00 0.00 C ATOM 296 CD GLN A 19 -10.824 -5.884 -8.253 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.468 -6.275 -9.227 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.274 -5.977 -7.031 1.00 0.00 N ATOM 0 H GLN A 19 -7.548 -3.358 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.923 -3.204 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.051 -3.320 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.261 -3.461 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.993 -5.609 -9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.847 -5.472 -7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.708 -5.641 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.192 -6.386 -6.855 1.00 0.00 H new ATOM 307 N TYR A 20 -7.632 -1.003 -7.557 1.00 0.00 N ATOM 308 CA TYR A 20 -7.642 0.397 -7.138 1.00 0.00 C ATOM 309 C TYR A 20 -6.322 1.060 -7.486 1.00 0.00 C ATOM 310 O TYR A 20 -5.855 1.958 -6.793 1.00 0.00 O ATOM 311 CB TYR A 20 -7.891 0.470 -5.625 1.00 0.00 C ATOM 312 CG TYR A 20 -9.289 0.060 -5.219 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.316 0.996 -5.170 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.585 -1.254 -4.890 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.594 0.635 -4.805 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.860 -1.627 -4.525 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.862 -0.682 -4.482 1.00 0.00 C ATOM 318 OH TYR A 20 -13.136 -1.058 -4.119 1.00 0.00 O ATOM 0 H TYR A 20 -6.955 -1.569 -7.046 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.439 0.925 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.171 -0.171 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.707 1.489 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.108 2.025 -5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.803 -1.998 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.380 1.375 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.073 -2.655 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.151 -2.019 -3.925 1.00 0.00 H new ATOM 328 N ASN A 21 -5.749 0.636 -8.599 1.00 0.00 N ATOM 329 CA ASN A 21 -4.466 1.181 -9.062 1.00 0.00 C ATOM 330 C ASN A 21 -4.698 2.522 -9.744 1.00 0.00 C ATOM 331 O ASN A 21 -3.776 3.291 -9.953 1.00 0.00 O ATOM 332 CB ASN A 21 -3.794 0.257 -10.101 1.00 0.00 C ATOM 333 CG ASN A 21 -3.676 -1.199 -9.702 1.00 0.00 C ATOM 334 OD1 ASN A 21 -2.727 -1.613 -9.060 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.608 -1.998 -10.149 1.00 0.00 N ATOM 0 H ASN A 21 -6.144 -0.083 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.824 1.277 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.358 0.316 -11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.795 0.640 -10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.553 -2.999 -9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.390 -1.620 -10.684 1.00 0.00 H new ATOM 342 N GLY A 22 -5.944 2.784 -10.095 1.00 0.00 N ATOM 343 CA GLY A 22 -6.260 3.974 -10.847 1.00 0.00 C ATOM 344 C GLY A 22 -6.136 3.683 -12.321 1.00 0.00 C ATOM 345 O GLY A 22 -5.891 4.573 -13.140 1.00 0.00 O ATOM 0 H GLY A 22 -6.744 2.192 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.272 4.306 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.586 4.784 -10.567 1.00 0.00 H new ATOM 349 N THR A 23 -6.325 2.420 -12.649 1.00 0.00 N ATOM 350 CA THR A 23 -6.195 1.919 -13.983 1.00 0.00 C ATOM 351 C THR A 23 -7.577 1.860 -14.615 1.00 0.00 C ATOM 352 O THR A 23 -7.770 2.207 -15.777 1.00 0.00 O ATOM 353 CB THR A 23 -5.619 0.481 -13.918 1.00 0.00 C ATOM 354 OG1 THR A 23 -4.405 0.477 -13.157 1.00 0.00 O ATOM 355 CG2 THR A 23 -5.341 -0.078 -15.298 1.00 0.00 C ATOM 0 H THR A 23 -6.580 1.703 -11.969 1.00 0.00 H new ATOM 0 HA THR A 23 -5.538 2.563 -14.567 1.00 0.00 H new ATOM 0 HB THR A 23 -6.368 -0.150 -13.439 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.046 -0.434 -13.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.939 -1.087 -15.208 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.267 -0.107 -15.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.617 0.557 -15.809 1.00 0.00 H new ATOM 363 N ASP A 24 -8.535 1.456 -13.811 1.00 0.00 N ATOM 364 CA ASP A 24 -9.888 1.253 -14.260 1.00 0.00 C ATOM 365 C ASP A 24 -10.768 2.403 -13.899 1.00 0.00 C ATOM 366 O ASP A 24 -11.089 2.591 -12.705 1.00 0.00 O ATOM 367 CB ASP A 24 -10.484 0.002 -13.641 1.00 0.00 C ATOM 368 CG ASP A 24 -9.826 -1.273 -14.068 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.120 -1.756 -15.180 1.00 0.00 O ATOM 370 OD2 ASP A 24 -9.021 -1.816 -13.295 1.00 0.00 O ATOM 0 H ASP A 24 -8.393 1.259 -12.820 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.840 1.155 -15.344 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.422 0.083 -12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.542 -0.046 -13.897 1.00 0.00 H new ATOM 375 N GLU A 25 -11.125 3.197 -14.906 1.00 0.00 N ATOM 376 CA GLU A 25 -12.081 4.309 -14.795 1.00 0.00 C ATOM 377 C GLU A 25 -11.660 5.351 -13.758 1.00 0.00 C ATOM 378 O GLU A 25 -12.480 6.150 -13.299 1.00 0.00 O ATOM 379 CB GLU A 25 -13.493 3.773 -14.523 1.00 0.00 C ATOM 380 CG GLU A 25 -14.005 2.854 -15.630 1.00 0.00 C ATOM 381 CD GLU A 25 -15.398 2.343 -15.385 1.00 0.00 C ATOM 382 OE1 GLU A 25 -15.556 1.290 -14.706 1.00 0.00 O ATOM 383 OE2 GLU A 25 -16.366 2.973 -15.874 1.00 0.00 O ATOM 0 H GLU A 25 -10.751 3.086 -15.848 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.087 4.830 -15.753 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.494 3.230 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.179 4.613 -14.409 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.985 3.393 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.327 2.006 -15.731 1.00 0.00 H new ATOM 390 N SER A 26 -10.372 5.346 -13.420 1.00 0.00 N ATOM 391 CA SER A 26 -9.783 6.299 -12.496 1.00 0.00 C ATOM 392 C SER A 26 -10.417 6.176 -11.091 1.00 0.00 C ATOM 393 O SER A 26 -10.635 7.185 -10.395 1.00 0.00 O ATOM 394 CB SER A 26 -9.923 7.728 -13.076 1.00 0.00 C ATOM 395 OG SER A 26 -9.328 8.719 -12.243 1.00 0.00 O ATOM 0 H SER A 26 -9.704 4.669 -13.788 1.00 0.00 H new ATOM 0 HA SER A 26 -8.722 6.080 -12.376 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.460 7.763 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.980 7.959 -13.211 1.00 0.00 H new ATOM 0 HG SER A 26 -9.579 8.556 -11.310 1.00 0.00 H new ATOM 401 N LYS A 27 -10.699 4.933 -10.673 1.00 0.00 N ATOM 402 CA LYS A 27 -11.185 4.696 -9.314 1.00 0.00 C ATOM 403 C LYS A 27 -10.140 5.110 -8.293 1.00 0.00 C ATOM 404 O LYS A 27 -8.949 5.151 -8.630 1.00 0.00 O ATOM 405 CB LYS A 27 -11.571 3.229 -9.067 1.00 0.00 C ATOM 406 CG LYS A 27 -12.761 2.751 -9.849 1.00 0.00 C ATOM 407 CD LYS A 27 -13.303 1.438 -9.279 1.00 0.00 C ATOM 408 CE LYS A 27 -12.326 0.292 -9.440 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.072 0.010 -10.859 1.00 0.00 N ATOM 0 H LYS A 27 -10.600 4.095 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.083 5.303 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.717 2.597 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.774 3.095 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.543 3.510 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.481 2.610 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.532 1.571 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.239 1.187 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.388 0.536 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.723 -0.599 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.524 -0.870 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.978 -0.096 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.534 0.795 -11.278 1.00 0.00 H new ATOM 423 N PRO A 28 -10.582 5.436 -7.041 1.00 0.00 N ATOM 424 CA PRO A 28 -9.696 5.832 -5.944 1.00 0.00 C ATOM 425 C PRO A 28 -8.438 4.984 -5.859 1.00 0.00 C ATOM 426 O PRO A 28 -8.479 3.747 -5.983 1.00 0.00 O ATOM 427 CB PRO A 28 -10.553 5.616 -4.715 1.00 0.00 C ATOM 428 CG PRO A 28 -11.932 5.893 -5.173 1.00 0.00 C ATOM 429 CD PRO A 28 -12.000 5.453 -6.607 1.00 0.00 C ATOM 0 HA PRO A 28 -9.335 6.853 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.457 4.598 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.262 6.285 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.658 5.352 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.166 6.954 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.459 4.469 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.594 6.141 -7.209 1.00 0.00 H new ATOM 437 N ILE A 29 -7.347 5.647 -5.631 1.00 0.00 N ATOM 438 CA ILE A 29 -6.067 5.027 -5.623 1.00 0.00 C ATOM 439 C ILE A 29 -5.663 4.851 -4.175 1.00 0.00 C ATOM 440 O ILE A 29 -5.837 5.774 -3.356 1.00 0.00 O ATOM 441 CB ILE A 29 -4.971 5.886 -6.376 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.377 6.265 -7.824 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.668 5.124 -6.441 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.480 7.284 -7.957 1.00 0.00 C ATOM 0 H ILE A 29 -7.325 6.649 -5.443 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.133 4.074 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.866 6.806 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.495 6.645 -8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.684 5.357 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.921 5.724 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.321 4.909 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.820 4.188 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.678 7.470 -9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.384 6.906 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.177 8.214 -7.476 1.00 0.00 H new ATOM 456 N TYR A 30 -5.115 3.716 -3.843 1.00 0.00 N ATOM 457 CA TYR A 30 -4.812 3.413 -2.503 1.00 0.00 C ATOM 458 C TYR A 30 -3.512 2.746 -2.453 1.00 0.00 C ATOM 459 O TYR A 30 -3.132 2.045 -3.389 1.00 0.00 O ATOM 460 CB TYR A 30 -5.874 2.497 -1.871 1.00 0.00 C ATOM 461 CG TYR A 30 -7.252 3.101 -1.745 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.506 4.077 -0.803 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.295 2.687 -2.555 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.755 4.629 -0.671 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.554 3.237 -2.428 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.776 4.210 -1.483 1.00 0.00 C ATOM 467 OH TYR A 30 -11.034 4.770 -1.347 1.00 0.00 O ATOM 0 H TYR A 30 -4.871 2.983 -4.509 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.794 4.345 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.947 1.587 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.532 2.202 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.707 4.412 -0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.121 1.922 -3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.933 5.393 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.359 2.905 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.645 4.365 -1.998 1.00 0.00 H new ATOM 477 N VAL A 31 -2.825 2.971 -1.412 1.00 0.00 N ATOM 478 CA VAL A 31 -1.597 2.330 -1.184 1.00 0.00 C ATOM 479 C VAL A 31 -1.593 1.797 0.212 1.00 0.00 C ATOM 480 O VAL A 31 -1.921 2.506 1.159 1.00 0.00 O ATOM 481 CB VAL A 31 -0.368 3.242 -1.452 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.433 4.535 -0.704 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.880 2.525 -1.097 1.00 0.00 C ATOM 0 H VAL A 31 -3.104 3.620 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.500 1.512 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.377 3.482 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.451 5.131 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.326 5.084 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.472 4.334 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.737 3.171 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.857 2.255 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.965 1.622 -1.701 1.00 0.00 H new ATOM 493 N ALA A 32 -1.285 0.566 0.342 1.00 0.00 N ATOM 494 CA ALA A 32 -1.271 -0.040 1.610 1.00 0.00 C ATOM 495 C ALA A 32 0.137 -0.300 2.047 1.00 0.00 C ATOM 496 O ALA A 32 1.000 -0.645 1.239 1.00 0.00 O ATOM 497 CB ALA A 32 -2.087 -1.303 1.595 1.00 0.00 C ATOM 0 H ALA A 32 -1.035 -0.051 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.723 0.639 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.067 -1.761 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.117 -1.068 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.670 -1.997 0.865 1.00 0.00 H new ATOM 503 N ILE A 33 0.387 -0.084 3.291 1.00 0.00 N ATOM 504 CA ILE A 33 1.677 -0.336 3.848 1.00 0.00 C ATOM 505 C ILE A 33 1.530 -1.068 5.136 1.00 0.00 C ATOM 506 O ILE A 33 0.911 -0.561 6.083 1.00 0.00 O ATOM 507 CB ILE A 33 2.485 0.954 4.085 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.724 1.691 2.773 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.803 0.636 4.771 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.513 2.949 2.930 1.00 0.00 C ATOM 0 H ILE A 33 -0.298 0.274 3.957 1.00 0.00 H new ATOM 0 HA ILE A 33 2.227 -0.937 3.124 1.00 0.00 H new ATOM 0 HB ILE A 33 1.906 1.607 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.246 1.028 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.762 1.929 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.362 1.558 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.608 0.159 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.387 -0.037 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.644 3.420 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.982 3.631 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.489 2.716 3.355 1.00 0.00 H new ATOM 522 N LYS A 34 2.041 -2.278 5.149 1.00 0.00 N ATOM 523 CA LYS A 34 2.077 -3.136 6.308 1.00 0.00 C ATOM 524 C LYS A 34 0.638 -3.447 6.773 1.00 0.00 C ATOM 525 O LYS A 34 0.373 -3.775 7.931 1.00 0.00 O ATOM 526 CB LYS A 34 2.971 -2.487 7.397 1.00 0.00 C ATOM 527 CG LYS A 34 3.262 -3.374 8.578 1.00 0.00 C ATOM 528 CD LYS A 34 4.210 -2.716 9.557 1.00 0.00 C ATOM 529 CE LYS A 34 4.454 -3.607 10.757 1.00 0.00 C ATOM 530 NZ LYS A 34 3.204 -3.875 11.499 1.00 0.00 N ATOM 0 H LYS A 34 2.458 -2.706 4.322 1.00 0.00 H new ATOM 0 HA LYS A 34 2.529 -4.099 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.915 -2.188 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.486 -1.578 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.329 -3.621 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.693 -4.313 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.157 -2.499 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.796 -1.763 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.892 -4.550 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.178 -3.134 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.433 -4.248 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.663 -2.992 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.635 -4.573 10.979 1.00 0.00 H new ATOM 544 N GLY A 35 -0.274 -3.386 5.819 1.00 0.00 N ATOM 545 CA GLY A 35 -1.644 -3.689 6.079 1.00 0.00 C ATOM 546 C GLY A 35 -2.496 -2.467 6.302 1.00 0.00 C ATOM 547 O GLY A 35 -3.690 -2.588 6.507 1.00 0.00 O ATOM 0 H GLY A 35 -0.074 -3.126 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.048 -4.256 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.706 -4.331 6.958 1.00 0.00 H new ATOM 551 N ARG A 36 -1.904 -1.295 6.272 1.00 0.00 N ATOM 552 CA ARG A 36 -2.659 -0.080 6.479 1.00 0.00 C ATOM 553 C ARG A 36 -2.883 0.592 5.148 1.00 0.00 C ATOM 554 O ARG A 36 -1.933 0.901 4.450 1.00 0.00 O ATOM 555 CB ARG A 36 -1.916 0.855 7.429 1.00 0.00 C ATOM 556 CG ARG A 36 -1.483 0.169 8.706 1.00 0.00 C ATOM 557 CD ARG A 36 -0.880 1.137 9.713 1.00 0.00 C ATOM 558 NE ARG A 36 0.253 1.893 9.181 1.00 0.00 N ATOM 559 CZ ARG A 36 1.515 1.473 9.160 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.845 0.245 9.542 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.456 2.285 8.751 1.00 0.00 N ATOM 0 H ARG A 36 -0.907 -1.157 6.107 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.621 -0.323 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.039 1.258 6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.558 1.700 7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.342 -0.330 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.753 -0.605 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.650 1.834 10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.556 0.581 10.592 1.00 0.00 H new ATOM 0 HE ARG A 36 0.060 2.817 8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.123 -0.401 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.820 -0.052 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.219 3.231 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.427 1.972 8.731 1.00 0.00 H new ATOM 575 N VAL A 37 -4.122 0.794 4.791 1.00 0.00 N ATOM 576 CA VAL A 37 -4.458 1.395 3.514 1.00 0.00 C ATOM 577 C VAL A 37 -4.545 2.901 3.623 1.00 0.00 C ATOM 578 O VAL A 37 -5.311 3.431 4.413 1.00 0.00 O ATOM 579 CB VAL A 37 -5.783 0.824 2.937 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.182 1.554 1.672 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.618 -0.642 2.629 1.00 0.00 C ATOM 0 H VAL A 37 -4.928 0.551 5.367 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.653 1.141 2.825 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.564 0.962 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.112 1.135 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.324 2.612 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.397 1.441 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.550 -1.036 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.821 -0.773 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.363 -1.179 3.542 1.00 0.00 H new ATOM 591 N PHE A 38 -3.753 3.565 2.842 1.00 0.00 N ATOM 592 CA PHE A 38 -3.732 5.003 2.772 1.00 0.00 C ATOM 593 C PHE A 38 -4.382 5.433 1.473 1.00 0.00 C ATOM 594 O PHE A 38 -4.283 4.721 0.461 1.00 0.00 O ATOM 595 CB PHE A 38 -2.296 5.498 2.758 1.00 0.00 C ATOM 596 CG PHE A 38 -1.474 5.146 3.961 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.844 3.916 4.054 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.319 6.044 4.988 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.085 3.596 5.154 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.557 5.731 6.086 1.00 0.00 C ATOM 601 CZ PHE A 38 0.061 4.504 6.168 1.00 0.00 C ATOM 0 H PHE A 38 -3.083 3.116 2.217 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.260 5.412 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.802 5.097 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.306 6.583 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.951 3.200 3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.802 7.008 4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.395 2.631 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.442 6.448 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.661 4.258 7.032 1.00 0.00 H new ATOM 611 N ASP A 39 -5.034 6.564 1.485 1.00 0.00 N ATOM 612 CA ASP A 39 -5.643 7.085 0.268 1.00 0.00 C ATOM 613 C ASP A 39 -4.662 8.008 -0.432 1.00 0.00 C ATOM 614 O ASP A 39 -4.158 8.965 0.167 1.00 0.00 O ATOM 615 CB ASP A 39 -6.951 7.848 0.564 1.00 0.00 C ATOM 616 CG ASP A 39 -7.663 8.332 -0.709 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.187 9.293 -1.348 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.725 7.761 -1.069 1.00 0.00 O ATOM 0 H ASP A 39 -5.163 7.147 2.312 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.889 6.239 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.624 7.201 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.729 8.706 1.199 1.00 0.00 H new ATOM 623 N VAL A 40 -4.376 7.714 -1.677 1.00 0.00 N ATOM 624 CA VAL A 40 -3.504 8.546 -2.488 1.00 0.00 C ATOM 625 C VAL A 40 -4.234 9.077 -3.687 1.00 0.00 C ATOM 626 O VAL A 40 -3.619 9.484 -4.668 1.00 0.00 O ATOM 627 CB VAL A 40 -2.189 7.845 -2.938 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.214 7.741 -1.800 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.471 6.471 -3.494 1.00 0.00 C ATOM 0 H VAL A 40 -4.738 6.893 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.207 9.368 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.746 8.458 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.305 7.247 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.970 8.740 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.659 7.161 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.535 6.004 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.948 5.859 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.134 6.556 -4.355 1.00 0.00 H new ATOM 639 N THR A 41 -5.548 9.142 -3.586 1.00 0.00 N ATOM 640 CA THR A 41 -6.357 9.686 -4.648 1.00 0.00 C ATOM 641 C THR A 41 -6.116 11.202 -4.698 1.00 0.00 C ATOM 642 O THR A 41 -6.279 11.854 -5.732 1.00 0.00 O ATOM 643 CB THR A 41 -7.849 9.389 -4.399 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.001 7.992 -4.115 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.675 9.722 -5.634 1.00 0.00 C ATOM 0 H THR A 41 -6.075 8.822 -2.774 1.00 0.00 H new ATOM 0 HA THR A 41 -6.083 9.228 -5.598 1.00 0.00 H new ATOM 0 HB THR A 41 -8.194 9.997 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.380 7.880 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.725 9.506 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.561 10.779 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.331 9.120 -6.475 1.00 0.00 H new ATOM 653 N THR A 42 -5.682 11.740 -3.565 1.00 0.00 N ATOM 654 CA THR A 42 -5.308 13.129 -3.449 1.00 0.00 C ATOM 655 C THR A 42 -4.022 13.396 -4.275 1.00 0.00 C ATOM 656 O THR A 42 -3.761 14.522 -4.700 1.00 0.00 O ATOM 657 CB THR A 42 -5.102 13.529 -1.947 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.801 14.928 -1.825 1.00 0.00 O ATOM 659 CG2 THR A 42 -3.993 12.706 -1.289 1.00 0.00 C ATOM 0 H THR A 42 -5.582 11.213 -2.697 1.00 0.00 H new ATOM 0 HA THR A 42 -6.115 13.745 -3.846 1.00 0.00 H new ATOM 0 HB THR A 42 -6.038 13.318 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.678 15.155 -0.880 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.881 13.013 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.252 11.648 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.055 12.870 -1.819 1.00 0.00 H new ATOM 667 N GLY A 43 -3.255 12.339 -4.520 1.00 0.00 N ATOM 668 CA GLY A 43 -2.047 12.436 -5.294 1.00 0.00 C ATOM 669 C GLY A 43 -2.145 11.562 -6.519 1.00 0.00 C ATOM 670 O GLY A 43 -1.167 10.950 -6.947 1.00 0.00 O ATOM 0 H GLY A 43 -3.462 11.399 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.877 13.471 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.193 12.133 -4.689 1.00 0.00 H new ATOM 674 N LYS A 44 -3.343 11.514 -7.086 1.00 0.00 N ATOM 675 CA LYS A 44 -3.662 10.695 -8.260 1.00 0.00 C ATOM 676 C LYS A 44 -2.786 11.053 -9.457 1.00 0.00 C ATOM 677 O LYS A 44 -2.485 10.204 -10.287 1.00 0.00 O ATOM 678 CB LYS A 44 -5.189 10.801 -8.553 1.00 0.00 C ATOM 679 CG LYS A 44 -5.743 10.062 -9.790 1.00 0.00 C ATOM 680 CD LYS A 44 -5.534 10.830 -11.081 1.00 0.00 C ATOM 681 CE LYS A 44 -6.177 10.120 -12.260 1.00 0.00 C ATOM 682 NZ LYS A 44 -6.125 10.937 -13.494 1.00 0.00 N ATOM 0 H LYS A 44 -4.139 12.051 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.434 9.650 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.723 10.433 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.437 11.857 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.261 9.088 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.809 9.879 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.956 11.830 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.467 10.951 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.670 9.171 -12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.215 9.888 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.574 10.416 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.631 11.833 -13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.134 11.137 -13.737 1.00 0.00 H new ATOM 696 N SER A 45 -2.343 12.285 -9.505 1.00 0.00 N ATOM 697 CA SER A 45 -1.490 12.751 -10.575 1.00 0.00 C ATOM 698 C SER A 45 -0.082 12.102 -10.480 1.00 0.00 C ATOM 699 O SER A 45 0.647 12.015 -11.472 1.00 0.00 O ATOM 700 CB SER A 45 -1.373 14.271 -10.485 1.00 0.00 C ATOM 701 OG SER A 45 -2.673 14.876 -10.428 1.00 0.00 O ATOM 0 H SER A 45 -2.562 12.994 -8.805 1.00 0.00 H new ATOM 0 HA SER A 45 -1.927 12.467 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.799 14.545 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.827 14.651 -11.349 1.00 0.00 H new ATOM 0 HG SER A 45 -2.578 15.850 -10.369 1.00 0.00 H new ATOM 707 N PHE A 46 0.273 11.632 -9.288 1.00 0.00 N ATOM 708 CA PHE A 46 1.589 11.056 -9.052 1.00 0.00 C ATOM 709 C PHE A 46 1.540 9.536 -8.907 1.00 0.00 C ATOM 710 O PHE A 46 2.477 8.844 -9.299 1.00 0.00 O ATOM 711 CB PHE A 46 2.234 11.660 -7.792 1.00 0.00 C ATOM 712 CG PHE A 46 2.465 13.144 -7.848 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.602 13.656 -8.453 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.554 14.026 -7.288 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.825 15.019 -8.498 1.00 0.00 C ATOM 716 CE2 PHE A 46 1.772 15.389 -7.332 1.00 0.00 C ATOM 717 CZ PHE A 46 2.910 15.885 -7.939 1.00 0.00 C ATOM 0 H PHE A 46 -0.336 11.640 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 46 2.191 11.297 -9.928 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.599 11.438 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.189 11.165 -7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.322 12.982 -8.894 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.664 13.643 -6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.716 15.405 -8.971 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.054 16.066 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.082 16.951 -7.975 1.00 0.00 H new ATOM 727 N TYR A 47 0.468 9.023 -8.334 1.00 0.00 N ATOM 728 CA TYR A 47 0.363 7.593 -8.067 1.00 0.00 C ATOM 729 C TYR A 47 -0.575 6.874 -9.018 1.00 0.00 C ATOM 730 O TYR A 47 -0.406 5.706 -9.254 1.00 0.00 O ATOM 731 CB TYR A 47 -0.136 7.367 -6.622 1.00 0.00 C ATOM 732 CG TYR A 47 0.813 7.839 -5.541 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.937 9.186 -5.241 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.585 6.935 -4.823 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.797 9.622 -4.266 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.454 7.366 -3.837 1.00 0.00 C ATOM 737 CZ TYR A 47 2.557 8.713 -3.567 1.00 0.00 C ATOM 738 OH TYR A 47 3.422 9.160 -2.591 1.00 0.00 O ATOM 0 H TYR A 47 -0.343 9.570 -8.043 1.00 0.00 H new ATOM 0 HA TYR A 47 1.361 7.179 -8.211 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.090 7.880 -6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.325 6.303 -6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.345 9.907 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.506 5.880 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.877 10.677 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.047 6.653 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 47 3.885 8.395 -2.189 1.00 0.00 H new ATOM 748 N GLY A 48 -1.506 7.597 -9.595 1.00 0.00 N ATOM 749 CA GLY A 48 -2.632 6.989 -10.294 1.00 0.00 C ATOM 750 C GLY A 48 -2.360 6.166 -11.551 1.00 0.00 C ATOM 751 O GLY A 48 -1.905 5.027 -11.493 1.00 0.00 O ATOM 0 H GLY A 48 -1.512 8.617 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.152 6.346 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.322 7.788 -10.565 1.00 0.00 H new ATOM 755 N SER A 49 -2.626 6.756 -12.678 1.00 0.00 N ATOM 756 CA SER A 49 -2.706 6.007 -13.928 1.00 0.00 C ATOM 757 C SER A 49 -1.360 5.807 -14.600 1.00 0.00 C ATOM 758 O SER A 49 -1.123 4.785 -15.248 1.00 0.00 O ATOM 759 CB SER A 49 -3.667 6.705 -14.878 1.00 0.00 C ATOM 760 OG SER A 49 -4.951 6.879 -14.274 1.00 0.00 O ATOM 0 H SER A 49 -2.794 7.758 -12.773 1.00 0.00 H new ATOM 0 HA SER A 49 -3.073 5.012 -13.678 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.261 7.676 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.768 6.121 -15.793 1.00 0.00 H new ATOM 0 HG SER A 49 -5.176 6.083 -13.749 1.00 0.00 H new ATOM 766 N GLY A 50 -0.502 6.754 -14.455 1.00 0.00 N ATOM 767 CA GLY A 50 0.780 6.692 -15.082 1.00 0.00 C ATOM 768 C GLY A 50 1.706 7.608 -14.399 1.00 0.00 C ATOM 769 O GLY A 50 2.406 8.393 -15.029 1.00 0.00 O ATOM 0 H GLY A 50 -0.664 7.594 -13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.166 5.673 -15.044 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.695 6.962 -16.135 1.00 0.00 H new ATOM 773 N GLY A 51 1.712 7.517 -13.105 1.00 0.00 N ATOM 774 CA GLY A 51 2.502 8.377 -12.315 1.00 0.00 C ATOM 775 C GLY A 51 3.839 7.759 -12.006 1.00 0.00 C ATOM 776 O GLY A 51 4.065 6.573 -12.271 1.00 0.00 O ATOM 0 H GLY A 51 1.164 6.839 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.648 9.323 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.980 8.603 -11.385 1.00 0.00 H new ATOM 780 N ASP A 52 4.708 8.531 -11.424 1.00 0.00 N ATOM 781 CA ASP A 52 6.054 8.067 -11.098 1.00 0.00 C ATOM 782 C ASP A 52 6.032 7.207 -9.831 1.00 0.00 C ATOM 783 O ASP A 52 6.980 6.505 -9.521 1.00 0.00 O ATOM 784 CB ASP A 52 7.008 9.265 -10.949 1.00 0.00 C ATOM 785 CG ASP A 52 8.452 8.863 -10.707 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.097 8.331 -11.637 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.981 9.114 -9.597 1.00 0.00 O ATOM 0 H ASP A 52 4.521 9.497 -11.157 1.00 0.00 H new ATOM 0 HA ASP A 52 6.422 7.445 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.955 9.876 -11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.669 9.888 -10.122 1.00 0.00 H new ATOM 792 N TYR A 53 4.927 7.265 -9.116 1.00 0.00 N ATOM 793 CA TYR A 53 4.765 6.545 -7.866 1.00 0.00 C ATOM 794 C TYR A 53 3.680 5.484 -8.005 1.00 0.00 C ATOM 795 O TYR A 53 3.178 4.948 -7.014 1.00 0.00 O ATOM 796 CB TYR A 53 4.406 7.521 -6.746 1.00 0.00 C ATOM 797 CG TYR A 53 5.472 8.547 -6.454 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.535 9.736 -7.167 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.414 8.325 -5.466 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.510 10.668 -6.905 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.391 9.253 -5.194 1.00 0.00 C ATOM 802 CZ TYR A 53 7.436 10.422 -5.918 1.00 0.00 C ATOM 803 OH TYR A 53 8.418 11.350 -5.657 1.00 0.00 O ATOM 0 H TYR A 53 4.111 7.815 -9.386 1.00 0.00 H new ATOM 0 HA TYR A 53 5.705 6.052 -7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.484 8.038 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.204 6.955 -5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.806 9.932 -7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.381 7.407 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.549 11.587 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.118 9.066 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 53 8.990 11.025 -4.931 1.00 0.00 H new ATOM 813 N SER A 54 3.362 5.152 -9.240 1.00 0.00 N ATOM 814 CA SER A 54 2.327 4.178 -9.561 1.00 0.00 C ATOM 815 C SER A 54 2.600 2.754 -9.067 1.00 0.00 C ATOM 816 O SER A 54 1.727 1.902 -9.145 1.00 0.00 O ATOM 817 CB SER A 54 2.034 4.185 -11.043 1.00 0.00 C ATOM 818 OG SER A 54 1.337 5.360 -11.408 1.00 0.00 O ATOM 0 H SER A 54 3.817 5.552 -10.060 1.00 0.00 H new ATOM 0 HA SER A 54 1.447 4.503 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.967 4.120 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.442 3.308 -11.306 1.00 0.00 H new ATOM 0 HG SER A 54 0.610 5.520 -10.771 1.00 0.00 H new ATOM 824 N MET A 55 3.785 2.498 -8.566 1.00 0.00 N ATOM 825 CA MET A 55 4.133 1.174 -8.059 1.00 0.00 C ATOM 826 C MET A 55 3.281 0.846 -6.851 1.00 0.00 C ATOM 827 O MET A 55 2.897 -0.304 -6.631 1.00 0.00 O ATOM 828 CB MET A 55 5.597 1.112 -7.629 1.00 0.00 C ATOM 829 CG MET A 55 6.591 1.543 -8.674 1.00 0.00 C ATOM 830 SD MET A 55 6.592 3.329 -8.975 1.00 0.00 S ATOM 831 CE MET A 55 7.842 3.448 -10.251 1.00 0.00 C ATOM 0 H MET A 55 4.534 3.187 -8.494 1.00 0.00 H new ATOM 0 HA MET A 55 3.960 0.460 -8.864 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.727 1.739 -6.747 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.828 0.090 -7.330 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.589 1.234 -8.364 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.372 1.025 -9.608 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.734 4.395 -10.779 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.832 3.397 -9.797 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.723 2.625 -10.955 1.00 0.00 H new ATOM 841 N PHE A 56 2.970 1.880 -6.098 1.00 0.00 N ATOM 842 CA PHE A 56 2.234 1.759 -4.861 1.00 0.00 C ATOM 843 C PHE A 56 0.738 1.676 -5.111 1.00 0.00 C ATOM 844 O PHE A 56 0.004 1.064 -4.344 1.00 0.00 O ATOM 845 CB PHE A 56 2.510 2.977 -3.999 1.00 0.00 C ATOM 846 CG PHE A 56 3.950 3.210 -3.679 1.00 0.00 C ATOM 847 CD1 PHE A 56 4.677 2.274 -2.980 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.576 4.373 -4.081 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.000 2.490 -2.682 1.00 0.00 C ATOM 850 CE2 PHE A 56 5.898 4.598 -3.787 1.00 0.00 C ATOM 851 CZ PHE A 56 6.615 3.656 -3.085 1.00 0.00 C ATOM 0 H PHE A 56 3.225 2.839 -6.332 1.00 0.00 H new ATOM 0 HA PHE A 56 2.557 0.845 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.119 3.859 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.958 2.875 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.201 1.358 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.019 5.115 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.558 1.747 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.375 5.513 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.655 3.830 -2.851 1.00 0.00 H new ATOM 861 N ALA A 57 0.315 2.305 -6.176 1.00 0.00 N ATOM 862 CA ALA A 57 -1.082 2.413 -6.542 1.00 0.00 C ATOM 863 C ALA A 57 -1.762 1.065 -6.688 1.00 0.00 C ATOM 864 O ALA A 57 -1.404 0.279 -7.558 1.00 0.00 O ATOM 865 CB ALA A 57 -1.198 3.165 -7.838 1.00 0.00 C ATOM 0 H ALA A 57 0.943 2.769 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.585 2.943 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.248 3.249 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.774 4.162 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.656 2.631 -8.618 1.00 0.00 H new ATOM 871 N GLY A 58 -2.700 0.793 -5.803 1.00 0.00 N ATOM 872 CA GLY A 58 -3.536 -0.378 -5.921 1.00 0.00 C ATOM 873 C GLY A 58 -2.937 -1.548 -5.242 1.00 0.00 C ATOM 874 O GLY A 58 -3.384 -2.675 -5.403 1.00 0.00 O ATOM 0 H GLY A 58 -2.901 1.374 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.516 -0.170 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.692 -0.609 -6.975 1.00 0.00 H new ATOM 878 N LYS A 59 -1.919 -1.295 -4.493 1.00 0.00 N ATOM 879 CA LYS A 59 -1.211 -2.310 -3.849 1.00 0.00 C ATOM 880 C LYS A 59 -0.755 -1.968 -2.489 1.00 0.00 C ATOM 881 O LYS A 59 -0.768 -0.810 -2.057 1.00 0.00 O ATOM 882 CB LYS A 59 -0.015 -2.608 -4.672 1.00 0.00 C ATOM 883 CG LYS A 59 -0.187 -3.756 -5.587 1.00 0.00 C ATOM 884 CD LYS A 59 0.894 -3.794 -6.601 1.00 0.00 C ATOM 885 CE LYS A 59 0.723 -2.684 -7.628 1.00 0.00 C ATOM 886 NZ LYS A 59 1.761 -2.715 -8.674 1.00 0.00 N ATOM 0 H LYS A 59 -1.561 -0.356 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.890 -3.156 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.240 -1.725 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.828 -2.807 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.187 -4.684 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.155 -3.688 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.861 -3.692 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.892 -4.761 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.259 -2.772 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.751 -1.719 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.599 -1.939 -9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.698 -2.604 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.720 -3.624 -9.177 1.00 0.00 H new ATOM 900 N ASP A 60 -0.379 -2.998 -1.815 1.00 0.00 N ATOM 901 CA ASP A 60 0.338 -2.890 -0.593 1.00 0.00 C ATOM 902 C ASP A 60 1.780 -3.034 -0.990 1.00 0.00 C ATOM 903 O ASP A 60 2.112 -3.868 -1.849 1.00 0.00 O ATOM 904 CB ASP A 60 -0.053 -3.981 0.403 1.00 0.00 C ATOM 905 CG ASP A 60 0.706 -3.874 1.739 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.917 -4.134 1.758 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.086 -3.581 2.789 1.00 0.00 O ATOM 0 H ASP A 60 -0.565 -3.958 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 60 0.126 -1.947 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.125 -3.924 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.140 -4.957 -0.041 1.00 0.00 H new ATOM 912 N ALA A 61 2.621 -2.251 -0.438 1.00 0.00 N ATOM 913 CA ALA A 61 3.974 -2.234 -0.882 1.00 0.00 C ATOM 914 C ALA A 61 4.957 -2.560 0.224 1.00 0.00 C ATOM 915 O ALA A 61 6.102 -2.155 0.150 1.00 0.00 O ATOM 916 CB ALA A 61 4.260 -0.879 -1.491 1.00 0.00 C ATOM 0 H ALA A 61 2.406 -1.608 0.324 1.00 0.00 H new ATOM 0 HA ALA A 61 4.105 -3.016 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.293 -0.846 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.589 -0.710 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.104 -0.103 -0.742 1.00 0.00 H new ATOM 922 N SER A 62 4.545 -3.364 1.193 1.00 0.00 N ATOM 923 CA SER A 62 5.411 -3.711 2.330 1.00 0.00 C ATOM 924 C SER A 62 6.767 -4.294 1.879 1.00 0.00 C ATOM 925 O SER A 62 7.832 -3.857 2.340 1.00 0.00 O ATOM 926 CB SER A 62 4.708 -4.694 3.243 1.00 0.00 C ATOM 927 OG SER A 62 3.509 -4.147 3.728 1.00 0.00 O ATOM 0 H SER A 62 3.620 -3.792 1.223 1.00 0.00 H new ATOM 0 HA SER A 62 5.615 -2.787 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.500 -5.617 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.359 -4.954 4.077 1.00 0.00 H new ATOM 0 HG SER A 62 2.799 -4.274 3.064 1.00 0.00 H new ATOM 933 N ARG A 63 6.725 -5.243 0.970 1.00 0.00 N ATOM 934 CA ARG A 63 7.941 -5.852 0.449 1.00 0.00 C ATOM 935 C ARG A 63 8.718 -4.891 -0.461 1.00 0.00 C ATOM 936 O ARG A 63 9.955 -4.914 -0.497 1.00 0.00 O ATOM 937 CB ARG A 63 7.614 -7.158 -0.275 1.00 0.00 C ATOM 938 CG ARG A 63 8.759 -7.742 -1.089 1.00 0.00 C ATOM 939 CD ARG A 63 8.359 -9.033 -1.762 1.00 0.00 C ATOM 940 NE ARG A 63 9.363 -9.471 -2.737 1.00 0.00 N ATOM 941 CZ ARG A 63 9.377 -10.653 -3.364 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.472 -11.593 -3.067 1.00 0.00 N ATOM 943 NH2 ARG A 63 10.294 -10.881 -4.292 1.00 0.00 N ATOM 0 H ARG A 63 5.862 -5.614 0.572 1.00 0.00 H new ATOM 0 HA ARG A 63 8.589 -6.079 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.298 -7.896 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.766 -6.987 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.076 -7.021 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.615 -7.920 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.221 -9.808 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.400 -8.900 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 63 10.116 -8.818 -2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.763 -11.412 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.491 -12.491 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.978 -10.160 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.316 -11.778 -4.778 1.00 0.00 H new ATOM 957 N ALA A 64 8.003 -4.013 -1.135 1.00 0.00 N ATOM 958 CA ALA A 64 8.614 -3.123 -2.103 1.00 0.00 C ATOM 959 C ALA A 64 9.337 -2.046 -1.372 1.00 0.00 C ATOM 960 O ALA A 64 10.386 -1.604 -1.774 1.00 0.00 O ATOM 961 CB ALA A 64 7.564 -2.529 -3.021 1.00 0.00 C ATOM 0 H ALA A 64 6.995 -3.896 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 64 9.316 -3.683 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.043 -1.864 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.051 -3.330 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.842 -1.965 -2.431 1.00 0.00 H new ATOM 967 N LEU A 65 8.771 -1.666 -0.273 1.00 0.00 N ATOM 968 CA LEU A 65 9.314 -0.667 0.577 1.00 0.00 C ATOM 969 C LEU A 65 10.566 -1.114 1.277 1.00 0.00 C ATOM 970 O LEU A 65 11.480 -0.327 1.460 1.00 0.00 O ATOM 971 CB LEU A 65 8.276 -0.214 1.567 1.00 0.00 C ATOM 972 CG LEU A 65 7.123 0.602 1.017 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.203 1.017 2.126 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.648 1.806 0.324 1.00 0.00 C ATOM 0 H LEU A 65 7.891 -2.057 0.065 1.00 0.00 H new ATOM 0 HA LEU A 65 9.601 0.174 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.865 -1.096 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.774 0.376 2.337 1.00 0.00 H new ATOM 0 HG LEU A 65 6.565 -0.010 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.380 1.602 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.807 0.130 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.753 1.620 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.817 2.390 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.216 2.413 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.297 1.500 -0.496 1.00 0.00 H new ATOM 986 N GLY A 66 10.617 -2.366 1.659 1.00 0.00 N ATOM 987 CA GLY A 66 11.784 -2.847 2.351 1.00 0.00 C ATOM 988 C GLY A 66 12.969 -3.034 1.442 1.00 0.00 C ATOM 989 O GLY A 66 14.111 -2.865 1.857 1.00 0.00 O ATOM 0 H GLY A 66 9.882 -3.056 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.047 -2.144 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.549 -3.796 2.833 1.00 0.00 H new ATOM 993 N LYS A 67 12.711 -3.380 0.204 1.00 0.00 N ATOM 994 CA LYS A 67 13.779 -3.594 -0.743 1.00 0.00 C ATOM 995 C LYS A 67 14.080 -2.316 -1.525 1.00 0.00 C ATOM 996 O LYS A 67 15.210 -2.111 -1.978 1.00 0.00 O ATOM 997 CB LYS A 67 13.421 -4.736 -1.688 1.00 0.00 C ATOM 998 CG LYS A 67 13.069 -6.027 -0.956 1.00 0.00 C ATOM 999 CD LYS A 67 12.831 -7.186 -1.897 1.00 0.00 C ATOM 1000 CE LYS A 67 14.079 -7.525 -2.682 1.00 0.00 C ATOM 1001 NZ LYS A 67 13.893 -8.718 -3.524 1.00 0.00 N ATOM 0 H LYS A 67 11.773 -3.519 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 67 14.679 -3.867 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.577 -4.435 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.260 -4.922 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.876 -6.282 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.176 -5.865 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.509 -8.058 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.023 -6.938 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.354 -6.677 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.907 -7.693 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.771 -8.916 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.656 -9.533 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.120 -8.549 -4.199 1.00 0.00 H new ATOM 1015 N MET A 68 13.047 -1.471 -1.656 1.00 0.00 N ATOM 1016 CA MET A 68 13.070 -0.164 -2.367 1.00 0.00 C ATOM 1017 C MET A 68 12.886 -0.378 -3.842 1.00 0.00 C ATOM 1018 O MET A 68 13.058 0.527 -4.671 1.00 0.00 O ATOM 1019 CB MET A 68 14.304 0.693 -2.039 1.00 0.00 C ATOM 1020 CG MET A 68 14.409 1.033 -0.567 1.00 0.00 C ATOM 1021 SD MET A 68 15.806 2.096 -0.160 1.00 0.00 S ATOM 1022 CE MET A 68 15.404 3.566 -1.095 1.00 0.00 C ATOM 0 H MET A 68 12.131 -1.679 -1.257 1.00 0.00 H new ATOM 0 HA MET A 68 12.229 0.423 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.203 0.161 -2.349 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.264 1.616 -2.618 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.488 1.523 -0.251 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.490 0.108 0.004 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.951 4.417 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.683 3.421 -2.139 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.333 3.758 -1.029 1.00 0.00 H new ATOM 1032 N SER A 69 12.464 -1.566 -4.139 1.00 0.00 N ATOM 1033 CA SER A 69 12.220 -2.009 -5.456 1.00 0.00 C ATOM 1034 C SER A 69 10.868 -1.528 -5.926 1.00 0.00 C ATOM 1035 O SER A 69 9.864 -1.615 -5.220 1.00 0.00 O ATOM 1036 CB SER A 69 12.294 -3.514 -5.480 1.00 0.00 C ATOM 1037 OG SER A 69 13.552 -3.971 -4.998 1.00 0.00 O ATOM 0 H SER A 69 12.275 -2.277 -3.433 1.00 0.00 H new ATOM 0 HA SER A 69 12.971 -1.601 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.493 -3.931 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.138 -3.873 -6.497 1.00 0.00 H new ATOM 0 HG SER A 69 13.575 -4.950 -5.022 1.00 0.00 H new ATOM 1043 N LYS A 70 10.872 -1.020 -7.105 1.00 0.00 N ATOM 1044 CA LYS A 70 9.720 -0.454 -7.732 1.00 0.00 C ATOM 1045 C LYS A 70 9.129 -1.435 -8.705 1.00 0.00 C ATOM 1046 O LYS A 70 7.999 -1.282 -9.153 1.00 0.00 O ATOM 1047 CB LYS A 70 10.184 0.792 -8.417 1.00 0.00 C ATOM 1048 CG LYS A 70 10.631 1.834 -7.428 1.00 0.00 C ATOM 1049 CD LYS A 70 11.706 2.704 -8.008 1.00 0.00 C ATOM 1050 CE LYS A 70 12.050 3.873 -7.100 1.00 0.00 C ATOM 1051 NZ LYS A 70 12.522 3.428 -5.766 1.00 0.00 N ATOM 0 H LYS A 70 11.708 -0.983 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 70 8.937 -0.220 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.007 0.553 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.377 1.193 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.781 2.449 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.000 1.348 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.600 2.106 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.381 3.082 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.821 4.482 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.172 4.508 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.384 3.951 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.783 3.611 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.731 2.410 -5.794 1.00 0.00 H new ATOM 1065 N ASN A 71 9.901 -2.443 -9.027 1.00 0.00 N ATOM 1066 CA ASN A 71 9.448 -3.497 -9.905 1.00 0.00 C ATOM 1067 C ASN A 71 8.313 -4.266 -9.292 1.00 0.00 C ATOM 1068 O ASN A 71 8.310 -4.564 -8.089 1.00 0.00 O ATOM 1069 CB ASN A 71 10.569 -4.447 -10.297 1.00 0.00 C ATOM 1070 CG ASN A 71 11.297 -5.043 -9.096 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.260 -4.466 -8.592 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.872 -6.192 -8.655 1.00 0.00 N ATOM 0 H ASN A 71 10.857 -2.557 -8.691 1.00 0.00 H new ATOM 0 HA ASN A 71 9.095 -3.009 -10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.157 -5.255 -10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.286 -3.915 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.341 -6.641 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.070 -6.643 -9.096 1.00 0.00 H new ATOM 1079 N GLU A 72 7.379 -4.618 -10.128 1.00 0.00 N ATOM 1080 CA GLU A 72 6.167 -5.297 -9.734 1.00 0.00 C ATOM 1081 C GLU A 72 6.418 -6.628 -9.021 1.00 0.00 C ATOM 1082 O GLU A 72 5.633 -7.034 -8.167 1.00 0.00 O ATOM 1083 CB GLU A 72 5.274 -5.491 -10.938 1.00 0.00 C ATOM 1084 CG GLU A 72 5.888 -6.263 -12.091 1.00 0.00 C ATOM 1085 CD GLU A 72 4.937 -6.372 -13.246 1.00 0.00 C ATOM 1086 OE1 GLU A 72 4.130 -7.321 -13.284 1.00 0.00 O ATOM 1087 OE2 GLU A 72 4.951 -5.491 -14.123 1.00 0.00 O ATOM 0 H GLU A 72 7.436 -4.438 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 72 5.668 -4.659 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.370 -6.009 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.968 -4.511 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.803 -5.767 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.169 -7.261 -11.754 1.00 0.00 H new ATOM 1094 N GLU A 73 7.526 -7.283 -9.359 1.00 0.00 N ATOM 1095 CA GLU A 73 7.898 -8.575 -8.758 1.00 0.00 C ATOM 1096 C GLU A 73 7.990 -8.490 -7.235 1.00 0.00 C ATOM 1097 O GLU A 73 7.682 -9.457 -6.529 1.00 0.00 O ATOM 1098 CB GLU A 73 9.251 -9.041 -9.276 1.00 0.00 C ATOM 1099 CG GLU A 73 9.349 -9.213 -10.770 1.00 0.00 C ATOM 1100 CD GLU A 73 10.730 -9.648 -11.181 1.00 0.00 C ATOM 1101 OE1 GLU A 73 10.995 -10.863 -11.219 1.00 0.00 O ATOM 1102 OE2 GLU A 73 11.572 -8.777 -11.471 1.00 0.00 O ATOM 0 H GLU A 73 8.192 -6.942 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 73 7.115 -9.280 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.008 -8.324 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.495 -9.992 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.619 -9.951 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.099 -8.274 -11.264 1.00 0.00 H new ATOM 1109 N ASP A 74 8.404 -7.338 -6.731 1.00 0.00 N ATOM 1110 CA ASP A 74 8.621 -7.181 -5.305 1.00 0.00 C ATOM 1111 C ASP A 74 7.540 -6.364 -4.635 1.00 0.00 C ATOM 1112 O ASP A 74 7.635 -6.064 -3.455 1.00 0.00 O ATOM 1113 CB ASP A 74 10.013 -6.598 -4.991 1.00 0.00 C ATOM 1114 CG ASP A 74 11.152 -7.535 -5.350 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.464 -8.445 -4.548 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.770 -7.362 -6.422 1.00 0.00 O ATOM 0 H ASP A 74 8.595 -6.504 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 74 8.573 -8.187 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.138 -5.661 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.068 -6.360 -3.929 1.00 0.00 H new ATOM 1121 N VAL A 75 6.505 -6.021 -5.360 1.00 0.00 N ATOM 1122 CA VAL A 75 5.422 -5.286 -4.747 1.00 0.00 C ATOM 1123 C VAL A 75 4.379 -6.303 -4.303 1.00 0.00 C ATOM 1124 O VAL A 75 3.951 -7.156 -5.101 1.00 0.00 O ATOM 1125 CB VAL A 75 4.803 -4.213 -5.686 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.859 -3.313 -4.911 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.883 -3.377 -6.335 1.00 0.00 C ATOM 0 H VAL A 75 6.387 -6.231 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 75 5.808 -4.725 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 75 4.245 -4.731 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.434 -2.567 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.057 -3.912 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.407 -2.812 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.425 -2.633 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.466 -2.873 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.538 -4.021 -6.922 1.00 0.00 H new ATOM 1137 N SER A 76 3.971 -6.208 -3.054 1.00 0.00 N ATOM 1138 CA SER A 76 3.156 -7.219 -2.414 1.00 0.00 C ATOM 1139 C SER A 76 2.902 -6.820 -0.955 1.00 0.00 C ATOM 1140 O SER A 76 3.759 -6.153 -0.331 1.00 0.00 O ATOM 1141 CB SER A 76 3.917 -8.568 -2.439 1.00 0.00 C ATOM 1142 OG SER A 76 3.157 -9.631 -1.867 1.00 0.00 O ATOM 0 H SER A 76 4.198 -5.419 -2.449 1.00 0.00 H new ATOM 0 HA SER A 76 2.206 -7.313 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.171 -8.820 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.856 -8.463 -1.895 1.00 0.00 H new ATOM 0 HG SER A 76 3.675 -10.462 -1.906 1.00 0.00 H new ATOM 1148 N PRO A 77 1.725 -7.212 -0.396 1.00 0.00 N ATOM 1149 CA PRO A 77 1.363 -6.956 1.013 1.00 0.00 C ATOM 1150 C PRO A 77 2.247 -7.699 1.997 1.00 0.00 C ATOM 1151 O PRO A 77 2.350 -7.333 3.174 1.00 0.00 O ATOM 1152 CB PRO A 77 -0.081 -7.483 1.112 1.00 0.00 C ATOM 1153 CG PRO A 77 -0.196 -8.462 0.000 1.00 0.00 C ATOM 1154 CD PRO A 77 0.628 -7.901 -1.112 1.00 0.00 C ATOM 0 HA PRO A 77 1.478 -5.902 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.266 -7.955 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.806 -6.676 1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.169 -9.444 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.235 -8.588 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.004 -8.684 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.055 -7.212 -1.732 1.00 0.00 H new ATOM 1162 N SER A 78 2.872 -8.719 1.527 1.00 0.00 N ATOM 1163 CA SER A 78 3.687 -9.532 2.348 1.00 0.00 C ATOM 1164 C SER A 78 5.142 -9.126 2.236 1.00 0.00 C ATOM 1165 O SER A 78 5.677 -9.035 1.138 1.00 0.00 O ATOM 1166 CB SER A 78 3.499 -10.977 1.945 1.00 0.00 C ATOM 1167 OG SER A 78 2.139 -11.384 2.144 1.00 0.00 O ATOM 0 H SER A 78 2.830 -9.013 0.551 1.00 0.00 H new ATOM 0 HA SER A 78 3.393 -9.404 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.774 -11.107 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.164 -11.613 2.530 1.00 0.00 H new ATOM 0 HG SER A 78 2.035 -12.321 1.876 1.00 0.00 H new ATOM 1173 N LEU A 79 5.781 -8.890 3.377 1.00 0.00 N ATOM 1174 CA LEU A 79 7.199 -8.532 3.406 1.00 0.00 C ATOM 1175 C LEU A 79 8.117 -9.749 3.274 1.00 0.00 C ATOM 1176 O LEU A 79 9.335 -9.642 3.298 1.00 0.00 O ATOM 1177 CB LEU A 79 7.605 -7.533 4.541 1.00 0.00 C ATOM 1178 CG LEU A 79 6.925 -7.638 5.911 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.710 -6.813 6.912 1.00 0.00 C ATOM 1180 CD2 LEU A 79 5.527 -7.048 5.830 1.00 0.00 C ATOM 0 H LEU A 79 5.341 -8.940 4.296 1.00 0.00 H new ATOM 0 HA LEU A 79 7.360 -7.945 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.679 -7.636 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.433 -6.524 4.166 1.00 0.00 H new ATOM 0 HG LEU A 79 6.882 -8.685 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.235 -6.880 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.730 -7.193 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.730 -5.772 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.044 -7.123 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.591 -6.000 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.943 -7.597 5.092 1.00 0.00 H new ATOM 1192 N GLU A 80 7.493 -10.894 3.132 1.00 0.00 N ATOM 1193 CA GLU A 80 8.128 -12.123 2.730 1.00 0.00 C ATOM 1194 C GLU A 80 9.264 -12.616 3.642 1.00 0.00 C ATOM 1195 O GLU A 80 9.012 -13.210 4.697 1.00 0.00 O ATOM 1196 CB GLU A 80 8.546 -12.036 1.250 1.00 0.00 C ATOM 1197 CG GLU A 80 9.172 -13.276 0.685 1.00 0.00 C ATOM 1198 CD GLU A 80 8.252 -14.467 0.748 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.412 -14.629 -0.163 1.00 0.00 O ATOM 1200 OE2 GLU A 80 8.342 -15.252 1.708 1.00 0.00 O ATOM 0 H GLU A 80 6.492 -10.997 3.300 1.00 0.00 H new ATOM 0 HA GLU A 80 7.375 -12.902 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.666 -11.790 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.249 -11.210 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.457 -13.095 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.088 -13.499 1.233 1.00 0.00 H new ATOM 1207 N GLY A 81 10.497 -12.341 3.262 1.00 0.00 N ATOM 1208 CA GLY A 81 11.591 -12.864 3.990 1.00 0.00 C ATOM 1209 C GLY A 81 12.586 -11.814 4.342 1.00 0.00 C ATOM 1210 O GLY A 81 13.747 -12.113 4.633 1.00 0.00 O ATOM 0 H GLY A 81 10.745 -11.763 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.226 -13.336 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.078 -13.641 3.402 1.00 0.00 H new ATOM 1214 N LEU A 82 12.146 -10.584 4.294 1.00 0.00 N ATOM 1215 CA LEU A 82 12.945 -9.452 4.638 1.00 0.00 C ATOM 1216 C LEU A 82 13.425 -9.533 6.065 1.00 0.00 C ATOM 1217 O LEU A 82 12.661 -9.859 6.978 1.00 0.00 O ATOM 1218 CB LEU A 82 12.132 -8.204 4.404 1.00 0.00 C ATOM 1219 CG LEU A 82 11.824 -7.926 2.946 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.752 -6.903 2.840 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.047 -7.412 2.272 1.00 0.00 C ATOM 0 H LEU A 82 11.198 -10.343 4.007 1.00 0.00 H new ATOM 0 HA LEU A 82 13.836 -9.430 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.194 -8.287 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.669 -7.351 4.819 1.00 0.00 H new ATOM 0 HG LEU A 82 11.494 -8.850 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.537 -6.709 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.851 -7.267 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.080 -5.981 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.827 -7.212 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.370 -6.491 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.840 -8.156 2.341 1.00 0.00 H new ATOM 1233 N THR A 83 14.689 -9.277 6.242 1.00 0.00 N ATOM 1234 CA THR A 83 15.289 -9.294 7.533 1.00 0.00 C ATOM 1235 C THR A 83 15.047 -7.937 8.224 1.00 0.00 C ATOM 1236 O THR A 83 14.486 -7.015 7.609 1.00 0.00 O ATOM 1237 CB THR A 83 16.810 -9.668 7.450 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.407 -9.733 8.754 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.577 -8.689 6.585 1.00 0.00 C ATOM 0 H THR A 83 15.333 -9.049 5.484 1.00 0.00 H new ATOM 0 HA THR A 83 14.824 -10.070 8.141 1.00 0.00 H new ATOM 0 HB THR A 83 16.866 -10.655 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.354 -9.970 8.669 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.627 -8.979 6.550 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.165 -8.695 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.491 -7.687 7.006 1.00 0.00 H new ATOM 1247 N GLU A 84 15.494 -7.815 9.456 1.00 0.00 N ATOM 1248 CA GLU A 84 15.186 -6.676 10.321 1.00 0.00 C ATOM 1249 C GLU A 84 15.586 -5.328 9.651 1.00 0.00 C ATOM 1250 O GLU A 84 14.782 -4.407 9.601 1.00 0.00 O ATOM 1251 CB GLU A 84 15.894 -6.901 11.677 1.00 0.00 C ATOM 1252 CG GLU A 84 15.271 -6.221 12.912 1.00 0.00 C ATOM 1253 CD GLU A 84 15.336 -4.731 12.942 1.00 0.00 C ATOM 1254 OE1 GLU A 84 16.450 -4.171 12.951 1.00 0.00 O ATOM 1255 OE2 GLU A 84 14.273 -4.089 12.963 1.00 0.00 O ATOM 0 H GLU A 84 16.092 -8.512 9.900 1.00 0.00 H new ATOM 0 HA GLU A 84 14.111 -6.608 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.934 -7.974 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.924 -6.556 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.225 -6.520 12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.769 -6.604 13.803 1.00 0.00 H new ATOM 1262 N LYS A 85 16.792 -5.248 9.075 1.00 0.00 N ATOM 1263 CA LYS A 85 17.252 -4.001 8.388 1.00 0.00 C ATOM 1264 C LYS A 85 16.372 -3.660 7.176 1.00 0.00 C ATOM 1265 O LYS A 85 16.099 -2.494 6.891 1.00 0.00 O ATOM 1266 CB LYS A 85 18.669 -4.149 7.856 1.00 0.00 C ATOM 1267 CG LYS A 85 18.782 -5.297 6.884 1.00 0.00 C ATOM 1268 CD LYS A 85 19.996 -5.182 6.007 1.00 0.00 C ATOM 1269 CE LYS A 85 20.207 -6.406 5.128 1.00 0.00 C ATOM 1270 NZ LYS A 85 21.372 -6.235 4.226 1.00 0.00 N ATOM 0 H LYS A 85 17.469 -6.011 9.062 1.00 0.00 H new ATOM 0 HA LYS A 85 17.195 -3.215 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.972 -3.224 7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.356 -4.307 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.823 -6.236 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.888 -5.332 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.900 -4.299 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.877 -5.033 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.358 -7.284 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.311 -6.588 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.487 -7.088 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.216 -5.411 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.231 -6.086 4.793 1.00 0.00 H new ATOM 1284 N GLU A 86 15.934 -4.689 6.478 1.00 0.00 N ATOM 1285 CA GLU A 86 15.197 -4.542 5.275 1.00 0.00 C ATOM 1286 C GLU A 86 13.865 -4.017 5.600 1.00 0.00 C ATOM 1287 O GLU A 86 13.372 -3.077 4.992 1.00 0.00 O ATOM 1288 CB GLU A 86 15.072 -5.882 4.618 1.00 0.00 C ATOM 1289 CG GLU A 86 16.362 -6.458 4.077 1.00 0.00 C ATOM 1290 CD GLU A 86 16.988 -5.587 3.018 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.711 -4.647 3.368 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.780 -5.845 1.816 1.00 0.00 O ATOM 0 H GLU A 86 16.092 -5.659 6.750 1.00 0.00 H new ATOM 0 HA GLU A 86 15.703 -3.854 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.654 -6.584 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.357 -5.802 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.068 -6.591 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.168 -7.446 3.661 1.00 0.00 H new ATOM 1299 N ILE A 87 13.299 -4.609 6.590 1.00 0.00 N ATOM 1300 CA ILE A 87 12.065 -4.198 7.100 1.00 0.00 C ATOM 1301 C ILE A 87 12.176 -2.760 7.636 1.00 0.00 C ATOM 1302 O ILE A 87 11.262 -1.963 7.445 1.00 0.00 O ATOM 1303 CB ILE A 87 11.606 -5.161 8.174 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.323 -6.535 7.571 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.402 -4.631 8.889 1.00 0.00 C ATOM 1306 CD1 ILE A 87 10.902 -7.577 8.590 1.00 0.00 C ATOM 0 H ILE A 87 13.702 -5.413 7.072 1.00 0.00 H new ATOM 0 HA ILE A 87 11.318 -4.203 6.306 1.00 0.00 H new ATOM 0 HB ILE A 87 12.407 -5.266 8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.539 -6.437 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.217 -6.886 7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.092 -5.341 9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.647 -3.677 9.356 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.589 -4.488 8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.719 -8.526 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.694 -7.705 9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.990 -7.250 9.090 1.00 0.00 H new ATOM 1318 N ASN A 88 13.330 -2.413 8.262 1.00 0.00 N ATOM 1319 CA ASN A 88 13.550 -1.003 8.720 1.00 0.00 C ATOM 1320 C ASN A 88 13.415 -0.015 7.609 1.00 0.00 C ATOM 1321 O ASN A 88 12.940 1.103 7.810 1.00 0.00 O ATOM 1322 CB ASN A 88 14.888 -0.781 9.377 1.00 0.00 C ATOM 1323 CG ASN A 88 14.869 -1.059 10.841 1.00 0.00 C ATOM 1324 OD1 ASN A 88 14.603 -0.178 11.648 1.00 0.00 O ATOM 1325 ND2 ASN A 88 15.136 -2.251 11.195 1.00 0.00 N ATOM 0 H ASN A 88 14.098 -3.055 8.459 1.00 0.00 H new ATOM 0 HA ASN A 88 12.766 -0.844 9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.631 -1.420 8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.201 0.250 9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.133 -2.502 12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 88 15.353 -2.956 10.490 1.00 0.00 H new ATOM 1332 N THR A 89 13.829 -0.413 6.455 1.00 0.00 N ATOM 1333 CA THR A 89 13.731 0.401 5.296 1.00 0.00 C ATOM 1334 C THR A 89 12.256 0.742 4.986 1.00 0.00 C ATOM 1335 O THR A 89 11.917 1.898 4.732 1.00 0.00 O ATOM 1336 CB THR A 89 14.416 -0.303 4.123 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.834 -0.415 4.380 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.181 0.422 2.850 1.00 0.00 C ATOM 0 H THR A 89 14.251 -1.327 6.289 1.00 0.00 H new ATOM 0 HA THR A 89 14.241 1.348 5.472 1.00 0.00 H new ATOM 0 HB THR A 89 13.987 -1.300 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.984 -1.041 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.680 -0.102 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.111 0.468 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.580 1.434 2.928 1.00 0.00 H new ATOM 1346 N LEU A 90 11.399 -0.250 5.103 1.00 0.00 N ATOM 1347 CA LEU A 90 9.976 -0.094 4.852 1.00 0.00 C ATOM 1348 C LEU A 90 9.370 0.689 5.981 1.00 0.00 C ATOM 1349 O LEU A 90 8.511 1.516 5.780 1.00 0.00 O ATOM 1350 CB LEU A 90 9.332 -1.469 4.742 1.00 0.00 C ATOM 1351 CG LEU A 90 7.989 -1.662 5.440 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.830 -1.147 4.643 1.00 0.00 C ATOM 1353 CD2 LEU A 90 7.797 -3.069 5.907 1.00 0.00 C ATOM 0 H LEU A 90 11.669 -1.195 5.377 1.00 0.00 H new ATOM 0 HA LEU A 90 9.809 0.442 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.200 -1.698 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.031 -2.204 5.142 1.00 0.00 H new ATOM 0 HG LEU A 90 8.018 -1.040 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.905 -1.315 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.957 -0.079 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.783 -1.672 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.828 -3.160 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.836 -3.745 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.587 -3.329 6.612 1.00 0.00 H new ATOM 1365 N ASN A 91 9.835 0.395 7.172 1.00 0.00 N ATOM 1366 CA ASN A 91 9.432 1.097 8.374 1.00 0.00 C ATOM 1367 C ASN A 91 9.609 2.613 8.232 1.00 0.00 C ATOM 1368 O ASN A 91 8.750 3.394 8.649 1.00 0.00 O ATOM 1369 CB ASN A 91 10.206 0.564 9.575 1.00 0.00 C ATOM 1370 CG ASN A 91 9.683 -0.758 10.167 1.00 0.00 C ATOM 1371 OD1 ASN A 91 9.853 -1.016 11.361 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.037 -1.580 9.376 1.00 0.00 N ATOM 0 H ASN A 91 10.513 -0.348 7.339 1.00 0.00 H new ATOM 0 HA ASN A 91 8.369 0.914 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.246 0.424 9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.195 1.322 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.663 -2.454 9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.909 -1.345 8.392 1.00 0.00 H new ATOM 1379 N ASP A 92 10.708 3.018 7.621 1.00 0.00 N ATOM 1380 CA ASP A 92 10.962 4.432 7.336 1.00 0.00 C ATOM 1381 C ASP A 92 9.989 4.940 6.286 1.00 0.00 C ATOM 1382 O ASP A 92 9.496 6.059 6.374 1.00 0.00 O ATOM 1383 CB ASP A 92 12.408 4.634 6.895 1.00 0.00 C ATOM 1384 CG ASP A 92 12.715 6.057 6.500 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.944 6.907 7.396 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.767 6.339 5.280 1.00 0.00 O ATOM 0 H ASP A 92 11.447 2.389 7.308 1.00 0.00 H new ATOM 0 HA ASP A 92 10.807 5.010 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.073 4.337 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.619 3.976 6.052 1.00 0.00 H new ATOM 1391 N TRP A 93 9.687 4.088 5.329 1.00 0.00 N ATOM 1392 CA TRP A 93 8.732 4.388 4.282 1.00 0.00 C ATOM 1393 C TRP A 93 7.321 4.546 4.803 1.00 0.00 C ATOM 1394 O TRP A 93 6.560 5.368 4.288 1.00 0.00 O ATOM 1395 CB TRP A 93 8.795 3.360 3.179 1.00 0.00 C ATOM 1396 CG TRP A 93 9.922 3.568 2.206 1.00 0.00 C ATOM 1397 CD1 TRP A 93 11.078 2.863 2.120 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.983 4.559 1.172 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.859 3.351 1.106 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.209 4.391 0.506 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.118 5.570 0.749 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.591 5.194 -0.561 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.497 6.367 -0.310 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.723 6.174 -0.955 1.00 0.00 C ATOM 0 H TRP A 93 10.101 3.159 5.255 1.00 0.00 H new ATOM 0 HA TRP A 93 9.018 5.355 3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.893 2.370 3.625 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.852 3.371 2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.345 2.035 2.760 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.778 2.995 0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.170 5.725 1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.538 5.050 -1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.837 7.153 -0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.990 6.814 -1.783 1.00 0.00 H new ATOM 1415 N GLU A 94 6.973 3.770 5.818 1.00 0.00 N ATOM 1416 CA GLU A 94 5.676 3.885 6.467 1.00 0.00 C ATOM 1417 C GLU A 94 5.469 5.308 6.903 1.00 0.00 C ATOM 1418 O GLU A 94 4.501 5.932 6.540 1.00 0.00 O ATOM 1419 CB GLU A 94 5.609 2.999 7.698 1.00 0.00 C ATOM 1420 CG GLU A 94 5.732 1.522 7.441 1.00 0.00 C ATOM 1421 CD GLU A 94 5.652 0.737 8.718 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.526 0.497 9.200 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.686 0.391 9.280 1.00 0.00 O ATOM 0 H GLU A 94 7.576 3.048 6.213 1.00 0.00 H new ATOM 0 HA GLU A 94 4.908 3.577 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.402 3.298 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.663 3.184 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.940 1.201 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.679 1.315 6.943 1.00 0.00 H new ATOM 1430 N THR A 95 6.444 5.801 7.633 1.00 0.00 N ATOM 1431 CA THR A 95 6.492 7.146 8.206 1.00 0.00 C ATOM 1432 C THR A 95 6.202 8.241 7.150 1.00 0.00 C ATOM 1433 O THR A 95 5.606 9.283 7.452 1.00 0.00 O ATOM 1434 CB THR A 95 7.915 7.376 8.768 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.263 6.267 9.623 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.990 8.666 9.576 1.00 0.00 C ATOM 0 H THR A 95 7.273 5.253 7.861 1.00 0.00 H new ATOM 0 HA THR A 95 5.729 7.216 8.981 1.00 0.00 H new ATOM 0 HB THR A 95 8.609 7.454 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.164 6.402 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.003 8.798 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.729 9.510 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.292 8.613 10.412 1.00 0.00 H new ATOM 1444 N LYS A 96 6.575 7.962 5.921 1.00 0.00 N ATOM 1445 CA LYS A 96 6.503 8.926 4.853 1.00 0.00 C ATOM 1446 C LYS A 96 5.062 9.067 4.424 1.00 0.00 C ATOM 1447 O LYS A 96 4.574 10.144 4.141 1.00 0.00 O ATOM 1448 CB LYS A 96 7.400 8.452 3.706 1.00 0.00 C ATOM 1449 CG LYS A 96 8.834 8.159 4.168 1.00 0.00 C ATOM 1450 CD LYS A 96 9.523 9.394 4.698 1.00 0.00 C ATOM 1451 CE LYS A 96 10.945 9.097 5.121 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.597 10.281 5.716 1.00 0.00 N ATOM 0 H LYS A 96 6.939 7.053 5.636 1.00 0.00 H new ATOM 0 HA LYS A 96 6.855 9.906 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.973 7.553 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.421 9.213 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.815 7.394 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.408 7.754 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.525 10.168 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.964 9.788 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.947 8.280 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.519 8.761 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.570 10.039 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.618 11.053 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.063 10.586 6.555 1.00 0.00 H new ATOM 1466 N PHE A 97 4.396 7.964 4.418 1.00 0.00 N ATOM 1467 CA PHE A 97 3.009 7.886 4.088 1.00 0.00 C ATOM 1468 C PHE A 97 2.131 8.212 5.313 1.00 0.00 C ATOM 1469 O PHE A 97 1.115 8.894 5.196 1.00 0.00 O ATOM 1470 CB PHE A 97 2.711 6.511 3.523 1.00 0.00 C ATOM 1471 CG PHE A 97 3.284 6.269 2.134 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.643 6.062 1.942 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.456 6.258 1.024 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.159 5.847 0.679 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.969 6.044 -0.243 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.320 5.838 -0.414 1.00 0.00 C ATOM 0 H PHE A 97 4.812 7.062 4.649 1.00 0.00 H new ATOM 0 HA PHE A 97 2.770 8.631 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.107 5.757 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.631 6.372 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.307 6.069 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.395 6.419 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.219 5.686 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.310 6.038 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.721 5.670 -1.403 1.00 0.00 H new ATOM 1486 N GLU A 98 2.585 7.765 6.480 1.00 0.00 N ATOM 1487 CA GLU A 98 1.924 7.962 7.793 1.00 0.00 C ATOM 1488 C GLU A 98 1.644 9.436 8.100 1.00 0.00 C ATOM 1489 O GLU A 98 0.671 9.764 8.779 1.00 0.00 O ATOM 1490 CB GLU A 98 2.835 7.380 8.898 1.00 0.00 C ATOM 1491 CG GLU A 98 2.783 5.866 9.097 1.00 0.00 C ATOM 1492 CD GLU A 98 1.504 5.401 9.754 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.316 5.697 10.958 1.00 0.00 O ATOM 1494 OE2 GLU A 98 0.703 4.698 9.117 1.00 0.00 O ATOM 0 H GLU A 98 3.453 7.235 6.554 1.00 0.00 H new ATOM 0 HA GLU A 98 0.962 7.450 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.864 7.659 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.574 7.857 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.888 5.374 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.632 5.556 9.706 1.00 0.00 H new ATOM 1501 N ALA A 99 2.463 10.315 7.589 1.00 0.00 N ATOM 1502 CA ALA A 99 2.323 11.718 7.905 1.00 0.00 C ATOM 1503 C ALA A 99 1.704 12.495 6.761 1.00 0.00 C ATOM 1504 O ALA A 99 1.488 13.701 6.868 1.00 0.00 O ATOM 1505 CB ALA A 99 3.678 12.305 8.263 1.00 0.00 C ATOM 0 H ALA A 99 3.231 10.091 6.956 1.00 0.00 H new ATOM 0 HA ALA A 99 1.651 11.801 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.565 13.363 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.085 11.781 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.358 12.193 7.418 1.00 0.00 H new ATOM 1511 N LYS A 100 1.403 11.824 5.673 1.00 0.00 N ATOM 1512 CA LYS A 100 0.909 12.512 4.505 1.00 0.00 C ATOM 1513 C LYS A 100 -0.445 12.009 4.081 1.00 0.00 C ATOM 1514 O LYS A 100 -1.311 12.789 3.680 1.00 0.00 O ATOM 1515 CB LYS A 100 1.896 12.426 3.321 1.00 0.00 C ATOM 1516 CG LYS A 100 3.126 13.344 3.364 1.00 0.00 C ATOM 1517 CD LYS A 100 4.053 13.086 4.525 1.00 0.00 C ATOM 1518 CE LYS A 100 5.254 13.997 4.469 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.100 13.754 3.274 1.00 0.00 N ATOM 0 H LYS A 100 1.491 10.813 5.573 1.00 0.00 H new ATOM 0 HA LYS A 100 0.810 13.558 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.246 11.396 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.345 12.642 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.685 13.227 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.790 14.380 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.519 13.239 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.380 12.046 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.919 15.034 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.854 13.857 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.031 14.197 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.220 12.730 3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.642 14.165 2.435 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.645 10.733 4.177 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.860 10.143 3.714 1.00 0.00 C ATOM 1535 C TYR A 101 -2.625 9.552 4.866 1.00 0.00 C ATOM 1536 O TYR A 101 -2.027 9.048 5.816 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.547 9.077 2.681 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.686 9.576 1.554 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.145 10.545 0.671 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.592 9.088 1.385 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.341 11.010 -0.346 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.400 9.538 0.374 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.931 10.500 -0.490 1.00 0.00 C ATOM 1544 OH TYR A 101 1.745 10.971 -1.490 1.00 0.00 O ATOM 0 H TYR A 101 0.024 10.075 4.576 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.479 10.913 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.045 8.243 3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.481 8.691 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.144 10.939 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.964 8.335 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.704 11.768 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.397 9.140 0.256 1.00 0.00 H new ATOM 0 HH TYR A 101 2.083 10.218 -2.018 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.947 9.630 4.830 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.781 9.085 5.878 1.00 0.00 C ATOM 1556 C PRO A 102 -4.969 7.582 5.739 1.00 0.00 C ATOM 1557 O PRO A 102 -5.149 7.056 4.625 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.110 9.804 5.662 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.169 10.010 4.192 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.753 10.283 3.769 1.00 0.00 C ATOM 0 HA PRO A 102 -4.349 9.230 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.950 9.206 6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.144 10.751 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.567 9.129 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.822 10.845 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.539 9.864 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.550 11.352 3.710 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.917 6.897 6.847 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.179 5.481 6.863 1.00 0.00 C ATOM 1570 C VAL A 103 -6.679 5.299 6.823 1.00 0.00 C ATOM 1571 O VAL A 103 -7.384 5.594 7.796 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.595 4.764 8.119 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.902 3.274 8.079 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.099 4.974 8.217 1.00 0.00 C ATOM 0 H VAL A 103 -4.694 7.298 7.758 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.689 5.028 6.001 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.068 5.201 8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.486 2.793 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.982 3.125 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.459 2.835 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.717 4.464 9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.616 4.569 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.885 6.040 8.293 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.164 4.865 5.702 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.593 4.715 5.488 1.00 0.00 C ATOM 1586 C VAL A 104 -9.071 3.285 5.733 1.00 0.00 C ATOM 1587 O VAL A 104 -10.252 2.962 5.534 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.011 5.204 4.081 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.779 6.705 3.963 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.223 4.475 3.003 1.00 0.00 C ATOM 0 H VAL A 104 -6.591 4.601 4.901 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.084 5.349 6.226 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.071 4.990 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.076 7.042 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.372 7.225 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.723 6.923 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.532 4.834 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.158 4.664 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.413 3.404 3.075 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.172 2.440 6.166 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.538 1.098 6.488 1.00 0.00 C ATOM 1602 C GLY A 105 -7.365 0.162 6.491 1.00 0.00 C ATOM 1603 O GLY A 105 -6.226 0.566 6.760 1.00 0.00 O ATOM 0 H GLY A 105 -7.186 2.662 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.014 1.081 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.277 0.745 5.769 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.621 -1.063 6.163 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.618 -2.105 6.207 1.00 0.00 C ATOM 1609 C ARG A 106 -6.596 -2.865 4.938 1.00 0.00 C ATOM 1610 O ARG A 106 -7.540 -2.807 4.154 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.942 -3.143 7.269 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.313 -3.716 7.115 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.470 -4.964 7.898 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.244 -4.817 9.322 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.439 -5.805 10.197 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.991 -6.954 9.790 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.131 -5.636 11.475 1.00 0.00 N ATOM 0 H ARG A 106 -8.538 -1.383 5.852 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.673 -1.600 6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.209 -3.948 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.851 -2.688 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.053 -2.985 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.508 -3.919 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.477 -5.351 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.778 -5.711 7.509 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.920 -3.915 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.261 -7.072 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.142 -7.712 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.743 -4.748 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.282 -6.394 12.141 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.546 -3.590 4.745 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.506 -4.531 3.713 1.00 0.00 C ATOM 1633 C VAL A 107 -5.217 -5.884 4.323 1.00 0.00 C ATOM 1634 O VAL A 107 -4.310 -6.039 5.159 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.517 -4.218 2.575 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.089 -4.350 3.003 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.818 -5.083 1.399 1.00 0.00 C ATOM 0 H VAL A 107 -4.697 -3.536 5.308 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.480 -4.509 3.225 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.649 -3.174 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.434 -4.118 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.889 -3.658 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.902 -5.370 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.117 -4.860 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.722 -6.131 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.835 -4.892 1.057 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.001 -6.815 3.964 1.00 0.00 N ATOM 1648 CA VAL A 108 -5.917 -8.135 4.466 1.00 0.00 C ATOM 1649 C VAL A 108 -5.593 -9.051 3.337 1.00 0.00 C ATOM 1650 O VAL A 108 -6.012 -8.813 2.207 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.241 -8.526 5.158 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.456 -7.567 6.245 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.401 -8.371 4.242 1.00 0.00 C ATOM 0 H VAL A 108 -6.751 -6.682 3.286 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.129 -8.208 5.215 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.169 -9.562 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.385 -7.807 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.624 -7.621 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.519 -6.559 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.316 -8.655 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.474 -7.332 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.265 -9.012 3.371 1.00 0.00 H new ATOM 1663 N SER A 109 -4.821 -10.041 3.589 1.00 0.00 N ATOM 1664 CA SER A 109 -4.421 -10.888 2.539 1.00 0.00 C ATOM 1665 C SER A 109 -4.245 -12.318 3.030 1.00 0.00 C ATOM 1666 O SER A 109 -5.105 -13.176 2.713 1.00 0.00 O ATOM 1667 CB SER A 109 -3.122 -10.314 1.960 1.00 0.00 C ATOM 1668 OG SER A 109 -2.604 -11.078 0.876 1.00 0.00 O ATOM 1669 OXT SER A 109 -3.303 -12.578 3.798 1.00 0.00 O ATOM 0 H SER A 109 -4.456 -10.281 4.511 1.00 0.00 H new ATOM 0 HA SER A 109 -5.184 -10.929 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.302 -9.293 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.372 -10.261 2.749 1.00 0.00 H new ATOM 0 HG SER A 109 -1.779 -10.663 0.549 1.00 0.00 H new