USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 Single : A 9 TYR OH : rot -26:sc= 0.216 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.532! X(o=-0.53!,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.137 X(o=0.14,f=-0.062) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 30 SER OG : rot -25:sc= 0.315 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 38:sc= 1.04 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 59 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 61 SER OG : rot 180:sc= -0.211 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 83:sc= 0.741 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.891 11.584 3.542 1.00 0.00 N ATOM 77 CA GLU A 8 6.602 12.286 3.494 1.00 0.00 C ATOM 78 C GLU A 8 5.431 11.304 3.455 1.00 0.00 C ATOM 79 O GLU A 8 4.283 11.719 3.528 1.00 0.00 O ATOM 80 CB GLU A 8 6.592 13.179 2.239 1.00 0.00 C ATOM 81 CG GLU A 8 7.447 14.444 2.422 1.00 0.00 C ATOM 82 CD GLU A 8 8.310 14.746 1.201 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.753 15.195 0.176 1.00 0.00 O ATOM 84 OE2 GLU A 8 9.543 14.507 1.248 1.00 0.00 O ATOM 0 HA GLU A 8 6.485 12.889 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.965 12.610 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.566 13.466 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.795 15.294 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.088 14.322 3.295 1.00 0.00 H new ATOM 91 N TYR A 9 5.681 10.002 3.347 1.00 0.00 N ATOM 92 CA TYR A 9 4.618 9.029 3.123 1.00 0.00 C ATOM 93 C TYR A 9 3.723 8.900 4.353 1.00 0.00 C ATOM 94 O TYR A 9 2.518 8.723 4.210 1.00 0.00 O ATOM 95 CB TYR A 9 5.226 7.680 2.739 1.00 0.00 C ATOM 96 CG TYR A 9 6.407 7.744 1.782 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.503 8.705 0.754 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.462 6.845 1.975 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.642 8.748 -0.070 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.592 6.868 1.152 1.00 0.00 C ATOM 101 CZ TYR A 9 8.683 7.812 0.113 1.00 0.00 C ATOM 102 OH TYR A 9 9.751 7.815 -0.723 1.00 0.00 O ATOM 0 H TYR A 9 6.615 9.596 3.411 1.00 0.00 H new ATOM 0 HA TYR A 9 3.991 9.377 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.545 7.172 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.447 7.065 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.700 9.410 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.402 6.121 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.720 9.498 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.393 6.162 1.314 1.00 0.00 H new ATOM 0 HH TYR A 9 9.489 8.195 -1.588 1.00 0.00 H new ATOM 112 N GLY A 10 4.287 9.055 5.554 1.00 0.00 N ATOM 113 CA GLY A 10 3.555 9.027 6.810 1.00 0.00 C ATOM 114 C GLY A 10 2.757 10.296 7.082 1.00 0.00 C ATOM 115 O GLY A 10 2.186 10.422 8.165 1.00 0.00 O ATOM 0 H GLY A 10 5.288 9.207 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.875 8.175 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.259 8.869 7.627 1.00 0.00 H new ATOM 119 N ARG A 11 2.750 11.272 6.165 1.00 0.00 N ATOM 120 CA ARG A 11 1.771 12.350 6.165 1.00 0.00 C ATOM 121 C ARG A 11 0.456 11.907 5.511 1.00 0.00 C ATOM 122 O ARG A 11 -0.540 12.601 5.680 1.00 0.00 O ATOM 123 CB ARG A 11 2.404 13.592 5.496 1.00 0.00 C ATOM 124 CG ARG A 11 3.210 14.378 6.533 1.00 0.00 C ATOM 125 CD ARG A 11 4.393 15.199 6.003 1.00 0.00 C ATOM 126 NE ARG A 11 5.061 16.066 7.004 1.00 0.00 N ATOM 127 CZ ARG A 11 5.742 15.737 8.114 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.571 14.565 8.723 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.631 16.594 8.608 1.00 0.00 N ATOM 0 H ARG A 11 3.427 11.330 5.404 1.00 0.00 H new ATOM 0 HA ARG A 11 1.504 12.619 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.051 13.285 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.625 14.225 5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.531 15.054 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.588 13.675 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.133 14.514 5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.042 15.824 5.182 1.00 0.00 H new ATOM 0 HE ARG A 11 4.993 17.067 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.907 13.887 8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.104 14.345 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.789 17.489 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.155 16.356 9.450 1.00 0.00 H new ATOM 143 N TYR A 12 0.450 10.799 4.754 1.00 0.00 N ATOM 144 CA TYR A 12 -0.676 10.345 3.938 1.00 0.00 C ATOM 145 C TYR A 12 -1.149 8.946 4.322 1.00 0.00 C ATOM 146 O TYR A 12 -2.337 8.646 4.233 1.00 0.00 O ATOM 147 CB TYR A 12 -0.269 10.307 2.460 1.00 0.00 C ATOM 148 CG TYR A 12 0.502 11.498 1.917 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.327 12.782 2.456 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.441 11.299 0.895 1.00 0.00 C ATOM 151 CE1 TYR A 12 1.099 13.861 2.010 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.182 12.382 0.390 1.00 0.00 C ATOM 153 CZ TYR A 12 1.996 13.672 0.935 1.00 0.00 C ATOM 154 OH TYR A 12 2.667 14.723 0.397 1.00 0.00 O ATOM 0 H TYR A 12 1.257 10.178 4.694 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.488 11.052 4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.334 9.414 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.174 10.192 1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.414 12.940 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.596 10.308 0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.010 14.828 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.890 12.228 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 12 3.240 14.406 -0.332 1.00 0.00 H new ATOM 164 N PHE A 13 -0.225 8.057 4.671 1.00 0.00 N ATOM 165 CA PHE A 13 -0.517 6.768 5.270 1.00 0.00 C ATOM 166 C PHE A 13 -0.390 6.903 6.779 1.00 0.00 C ATOM 167 O PHE A 13 0.277 7.817 7.268 1.00 0.00 O ATOM 168 CB PHE A 13 0.454 5.729 4.712 1.00 0.00 C ATOM 169 CG PHE A 13 0.389 5.604 3.202 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.792 5.153 2.584 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.508 5.927 2.410 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.850 5.015 1.188 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.445 5.793 1.013 1.00 0.00 C ATOM 174 CZ PHE A 13 0.269 5.331 0.401 1.00 0.00 C ATOM 0 H PHE A 13 0.773 8.222 4.540 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.530 6.441 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.470 5.995 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.237 4.760 5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.656 4.912 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.416 6.278 2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.757 4.665 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.303 6.046 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.225 5.219 -0.672 1.00 0.00 H new ATOM 184 N GLU A 14 -1.003 5.991 7.530 1.00 0.00 N ATOM 185 CA GLU A 14 -0.999 6.081 8.982 1.00 0.00 C ATOM 186 C GLU A 14 -1.222 4.704 9.579 1.00 0.00 C ATOM 187 O GLU A 14 -1.706 3.806 8.902 1.00 0.00 O ATOM 188 CB GLU A 14 -2.106 7.045 9.390 1.00 0.00 C ATOM 189 CG GLU A 14 -1.871 7.782 10.694 1.00 0.00 C ATOM 190 CD GLU A 14 -2.988 8.808 10.834 1.00 0.00 C ATOM 191 OE1 GLU A 14 -2.916 9.875 10.186 1.00 0.00 O ATOM 192 OE2 GLU A 14 -3.952 8.505 11.575 1.00 0.00 O ATOM 0 H GLU A 14 -1.506 5.186 7.156 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.041 6.449 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.238 7.779 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.040 6.489 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.877 7.089 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.897 8.271 10.690 1.00 0.00 H new ATOM 199 N GLN A 15 -0.868 4.545 10.847 1.00 0.00 N ATOM 200 CA GLN A 15 -0.683 3.220 11.442 1.00 0.00 C ATOM 201 C GLN A 15 -1.942 2.373 11.568 1.00 0.00 C ATOM 202 O GLN A 15 -1.817 1.163 11.669 1.00 0.00 O ATOM 203 CB GLN A 15 0.001 3.306 12.798 1.00 0.00 C ATOM 204 CG GLN A 15 -0.723 4.081 13.911 1.00 0.00 C ATOM 205 CD GLN A 15 0.115 5.197 14.531 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.210 4.972 15.040 1.00 0.00 O ATOM 207 NE2 GLN A 15 -0.362 6.431 14.488 1.00 0.00 N ATOM 0 H GLN A 15 -0.701 5.319 11.490 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.045 2.707 10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.173 2.290 13.153 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.980 3.763 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.639 4.510 13.505 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.018 3.383 14.694 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.272 6.612 14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.180 7.201 14.879 1.00 0.00 H new ATOM 216 N LEU A 16 -3.123 2.977 11.571 1.00 0.00 N ATOM 217 CA LEU A 16 -4.408 2.290 11.659 1.00 0.00 C ATOM 218 C LEU A 16 -5.260 2.646 10.442 1.00 0.00 C ATOM 219 O LEU A 16 -6.482 2.445 10.462 1.00 0.00 O ATOM 220 CB LEU A 16 -5.114 2.680 12.971 1.00 0.00 C ATOM 221 CG LEU A 16 -4.316 2.446 14.262 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.163 2.866 15.460 1.00 0.00 C ATOM 223 CD2 LEU A 16 -3.903 0.987 14.438 1.00 0.00 C ATOM 0 H LEU A 16 -3.218 3.991 11.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.255 1.211 11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.379 3.736 12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.047 2.121 13.038 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.407 3.043 14.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.600 2.702 16.379 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.416 3.923 15.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.078 2.274 15.484 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.342 0.877 15.366 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.793 0.359 14.476 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.279 0.682 13.598 1.00 0.00 H new ATOM 235 N GLN A 17 -4.620 3.233 9.414 1.00 0.00 N ATOM 236 CA GLN A 17 -5.313 3.607 8.172 1.00 0.00 C ATOM 237 C GLN A 17 -5.635 2.364 7.334 1.00 0.00 C ATOM 238 O GLN A 17 -5.420 1.240 7.771 1.00 0.00 O ATOM 239 CB GLN A 17 -4.539 4.674 7.375 1.00 0.00 C ATOM 240 CG GLN A 17 -5.381 5.932 7.122 1.00 0.00 C ATOM 241 CD GLN A 17 -4.551 7.023 6.457 1.00 0.00 C ATOM 242 OE1 GLN A 17 -4.184 8.026 7.064 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.200 6.812 5.197 1.00 0.00 N ATOM 0 H GLN A 17 -3.625 3.457 9.421 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.262 4.069 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.635 4.947 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.222 4.253 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.233 5.682 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.782 6.301 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.517 5.972 4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.613 7.490 4.711 1.00 0.00 H new ATOM 252 N LYS A 18 -6.155 2.541 6.119 1.00 0.00 N ATOM 253 CA LYS A 18 -6.371 1.480 5.133 1.00 0.00 C ATOM 254 C LYS A 18 -5.635 1.811 3.849 1.00 0.00 C ATOM 255 O LYS A 18 -5.372 2.987 3.603 1.00 0.00 O ATOM 256 CB LYS A 18 -7.867 1.327 4.819 1.00 0.00 C ATOM 257 CG LYS A 18 -8.635 0.372 5.742 1.00 0.00 C ATOM 258 CD LYS A 18 -9.146 1.020 7.029 1.00 0.00 C ATOM 259 CE LYS A 18 -10.172 2.120 6.731 1.00 0.00 C ATOM 260 NZ LYS A 18 -10.916 2.502 7.943 1.00 0.00 N ATOM 0 H LYS A 18 -6.448 3.458 5.782 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.994 0.547 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.335 2.310 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.972 0.977 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.483 -0.041 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.986 -0.464 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.599 0.260 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.308 1.442 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.663 2.994 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.869 1.773 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.602 3.248 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.420 1.673 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.252 2.856 8.661 1.00 0.00 H new ATOM 274 N VAL A 19 -5.359 0.810 3.007 1.00 0.00 N ATOM 275 CA VAL A 19 -4.856 0.987 1.640 1.00 0.00 C ATOM 276 C VAL A 19 -5.409 -0.117 0.724 1.00 0.00 C ATOM 277 O VAL A 19 -5.721 -1.216 1.188 1.00 0.00 O ATOM 278 CB VAL A 19 -3.311 1.002 1.601 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.710 2.236 2.287 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.676 -0.249 2.221 1.00 0.00 C ATOM 0 H VAL A 19 -5.482 -0.170 3.263 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.203 1.955 1.277 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.076 1.028 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.623 2.192 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.064 3.138 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.016 2.256 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.590 -0.174 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.977 -0.330 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.009 -1.133 1.678 1.00 0.00 H new ATOM 290 N ASN A 20 -5.479 0.165 -0.584 1.00 0.00 N ATOM 291 CA ASN A 20 -5.526 -0.804 -1.671 1.00 0.00 C ATOM 292 C ASN A 20 -4.186 -1.559 -1.792 1.00 0.00 C ATOM 293 O ASN A 20 -3.202 -1.111 -1.205 1.00 0.00 O ATOM 294 CB ASN A 20 -5.801 -0.004 -2.951 1.00 0.00 C ATOM 295 CG ASN A 20 -6.167 -0.829 -4.165 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.956 -0.379 -5.288 1.00 0.00 O ATOM 297 ND2 ASN A 20 -6.792 -1.977 -3.974 1.00 0.00 N ATOM 0 H ASN A 20 -5.505 1.127 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.299 -1.551 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.610 0.699 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.916 0.587 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.117 -2.520 -4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.950 -2.320 -3.027 1.00 0.00 H new ATOM 304 N LEU A 21 -4.125 -2.667 -2.549 1.00 0.00 N ATOM 305 CA LEU A 21 -3.085 -3.699 -2.375 1.00 0.00 C ATOM 306 C LEU A 21 -2.457 -4.269 -3.646 1.00 0.00 C ATOM 307 O LEU A 21 -1.698 -5.231 -3.567 1.00 0.00 O ATOM 308 CB LEU A 21 -3.667 -4.880 -1.570 1.00 0.00 C ATOM 309 CG LEU A 21 -4.087 -4.583 -0.128 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.628 -5.880 0.472 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.919 -4.089 0.725 1.00 0.00 C ATOM 0 H LEU A 21 -4.790 -2.873 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.280 -3.173 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.535 -5.263 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.925 -5.679 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.838 -3.793 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.937 -5.703 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.484 -6.221 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.849 -6.642 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.267 -3.892 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.139 -4.850 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.517 -3.172 0.295 1.00 0.00 H new ATOM 323 N THR A 22 -2.795 -3.713 -4.793 1.00 0.00 N ATOM 324 CA THR A 22 -2.763 -4.327 -6.119 1.00 0.00 C ATOM 325 C THR A 22 -1.431 -5.005 -6.426 1.00 0.00 C ATOM 326 O THR A 22 -0.443 -4.322 -6.689 1.00 0.00 O ATOM 327 CB THR A 22 -3.119 -3.260 -7.159 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.254 -2.561 -6.685 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.423 -3.875 -8.528 1.00 0.00 C ATOM 0 H THR A 22 -3.125 -2.749 -4.832 1.00 0.00 H new ATOM 0 HA THR A 22 -3.501 -5.129 -6.151 1.00 0.00 H new ATOM 0 HB THR A 22 -2.268 -2.591 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.505 -1.868 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.671 -3.084 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.549 -4.420 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.266 -4.560 -8.440 1.00 0.00 H new ATOM 337 N VAL A 23 -1.398 -6.336 -6.391 1.00 0.00 N ATOM 338 CA VAL A 23 -0.203 -7.132 -6.644 1.00 0.00 C ATOM 339 C VAL A 23 -0.163 -7.424 -8.141 1.00 0.00 C ATOM 340 O VAL A 23 -1.157 -7.883 -8.700 1.00 0.00 O ATOM 341 CB VAL A 23 -0.248 -8.451 -5.836 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.071 -9.229 -5.959 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.518 -8.281 -4.337 1.00 0.00 C ATOM 0 H VAL A 23 -2.221 -6.901 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 23 0.691 -6.591 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.086 -8.989 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.006 -10.150 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.254 -9.471 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.890 -8.619 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.531 -9.259 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.267 -7.669 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.482 -7.794 -4.194 1.00 0.00 H new ATOM 353 N ARG A 24 0.983 -7.216 -8.793 1.00 0.00 N ATOM 354 CA ARG A 24 1.250 -7.803 -10.103 1.00 0.00 C ATOM 355 C ARG A 24 1.626 -9.259 -9.891 1.00 0.00 C ATOM 356 O ARG A 24 2.618 -9.507 -9.212 1.00 0.00 O ATOM 357 CB ARG A 24 2.408 -7.038 -10.749 1.00 0.00 C ATOM 358 CG ARG A 24 2.889 -7.639 -12.071 1.00 0.00 C ATOM 359 CD ARG A 24 4.153 -6.936 -12.573 1.00 0.00 C ATOM 360 NE ARG A 24 4.512 -7.405 -13.922 1.00 0.00 N ATOM 361 CZ ARG A 24 4.023 -6.907 -15.066 1.00 0.00 C ATOM 362 NH1 ARG A 24 3.136 -5.915 -15.056 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.421 -7.392 -16.237 1.00 0.00 N ATOM 0 H ARG A 24 1.744 -6.641 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 24 0.379 -7.743 -10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.098 -6.007 -10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.244 -7.007 -10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.090 -8.702 -11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.101 -7.554 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.993 -5.858 -12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.977 -7.126 -11.886 1.00 0.00 H new ATOM 0 HE ARG A 24 5.185 -8.168 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.819 -5.523 -14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.773 -5.547 -15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.104 -8.149 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.044 -7.007 -17.103 1.00 0.00 H new ATOM 377 N LEU A 25 0.895 -10.209 -10.461 1.00 0.00 N ATOM 378 CA LEU A 25 1.262 -11.613 -10.498 1.00 0.00 C ATOM 379 C LEU A 25 1.751 -11.976 -11.893 1.00 0.00 C ATOM 380 O LEU A 25 1.115 -12.743 -12.628 1.00 0.00 O ATOM 381 CB LEU A 25 0.091 -12.479 -10.072 1.00 0.00 C ATOM 382 CG LEU A 25 -0.243 -12.387 -8.584 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.928 -12.512 -7.611 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.125 -11.269 -8.088 1.00 0.00 C ATOM 0 H LEU A 25 0.006 -10.015 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 25 2.074 -11.795 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.788 -12.192 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.311 -13.517 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.848 -13.293 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.561 -12.430 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.412 -13.479 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.647 -11.716 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.256 -11.360 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.661 -10.310 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.097 -11.328 -8.577 1.00 0.00 H new ATOM 436 N SER A 30 -3.078 -10.638 -11.780 1.00 0.00 N ATOM 437 CA SER A 30 -2.964 -9.836 -10.581 1.00 0.00 C ATOM 438 C SER A 30 -4.004 -10.230 -9.539 1.00 0.00 C ATOM 439 O SER A 30 -4.890 -11.061 -9.778 1.00 0.00 O ATOM 440 CB SER A 30 -3.027 -8.325 -10.898 1.00 0.00 C ATOM 441 OG SER A 30 -3.812 -8.004 -12.032 1.00 0.00 O ATOM 0 HA SER A 30 -1.982 -10.038 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.428 -7.799 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.014 -7.955 -11.054 1.00 0.00 H new ATOM 0 HG SER A 30 -3.848 -8.776 -12.634 1.00 0.00 H new ATOM 447 N PHE A 31 -3.816 -9.658 -8.353 1.00 0.00 N ATOM 448 CA PHE A 31 -4.680 -9.718 -7.196 1.00 0.00 C ATOM 449 C PHE A 31 -4.819 -8.275 -6.741 1.00 0.00 C ATOM 450 O PHE A 31 -3.849 -7.522 -6.810 1.00 0.00 O ATOM 451 CB PHE A 31 -4.012 -10.533 -6.071 1.00 0.00 C ATOM 452 CG PHE A 31 -4.779 -10.434 -4.759 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.071 -10.984 -4.649 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.274 -9.641 -3.707 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.853 -10.728 -3.508 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.057 -9.387 -2.565 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.350 -9.928 -2.468 1.00 0.00 C ATOM 0 H PHE A 31 -2.985 -9.096 -8.170 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.635 -10.188 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.944 -11.578 -6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.993 -10.177 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.462 -11.604 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.280 -9.226 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.845 -11.148 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.664 -8.777 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.956 -9.729 -1.596 1.00 0.00 H new ATOM 467 N ASP A 32 -5.962 -7.883 -6.204 1.00 0.00 N ATOM 468 CA ASP A 32 -6.111 -6.651 -5.474 1.00 0.00 C ATOM 469 C ASP A 32 -7.080 -6.856 -4.316 1.00 0.00 C ATOM 470 O ASP A 32 -7.863 -7.804 -4.305 1.00 0.00 O ATOM 471 CB ASP A 32 -6.534 -5.559 -6.449 1.00 0.00 C ATOM 472 CG ASP A 32 -7.918 -4.966 -6.204 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.930 -5.607 -6.568 1.00 0.00 O ATOM 474 OD2 ASP A 32 -7.968 -3.794 -5.767 1.00 0.00 O ATOM 0 H ASP A 32 -6.823 -8.426 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.170 -6.333 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.800 -4.754 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.505 -5.966 -7.460 1.00 0.00 H new ATOM 479 N GLY A 33 -7.008 -5.983 -3.323 1.00 0.00 N ATOM 480 CA GLY A 33 -7.879 -6.049 -2.156 1.00 0.00 C ATOM 481 C GLY A 33 -7.708 -4.802 -1.303 1.00 0.00 C ATOM 482 O GLY A 33 -7.083 -3.829 -1.749 1.00 0.00 O ATOM 0 H GLY A 33 -6.345 -5.208 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.918 -6.142 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.645 -6.936 -1.568 1.00 0.00 H new ATOM 486 N THR A 34 -8.227 -4.838 -0.076 1.00 0.00 N ATOM 487 CA THR A 34 -7.973 -3.809 0.925 1.00 0.00 C ATOM 488 C THR A 34 -7.300 -4.451 2.138 1.00 0.00 C ATOM 489 O THR A 34 -7.512 -5.634 2.413 1.00 0.00 O ATOM 490 CB THR A 34 -9.279 -3.103 1.357 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.347 -3.209 0.429 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.013 -1.612 1.595 1.00 0.00 C ATOM 0 H THR A 34 -8.838 -5.587 0.251 1.00 0.00 H new ATOM 0 HA THR A 34 -7.320 -3.053 0.489 1.00 0.00 H new ATOM 0 HB THR A 34 -9.589 -3.618 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.132 -2.739 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.938 -1.121 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.266 -1.497 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.646 -1.157 0.675 1.00 0.00 H new ATOM 500 N ALA A 35 -6.552 -3.672 2.917 1.00 0.00 N ATOM 501 CA ALA A 35 -6.146 -4.045 4.265 1.00 0.00 C ATOM 502 C ALA A 35 -6.174 -2.814 5.158 1.00 0.00 C ATOM 503 O ALA A 35 -6.076 -1.685 4.662 1.00 0.00 O ATOM 504 CB ALA A 35 -4.725 -4.610 4.246 1.00 0.00 C ATOM 0 H ALA A 35 -6.209 -2.757 2.625 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.832 -4.801 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.430 -4.886 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.692 -5.491 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.039 -3.856 3.861 1.00 0.00 H new ATOM 510 N ALA A 36 -6.254 -3.049 6.469 1.00 0.00 N ATOM 511 CA ALA A 36 -5.921 -2.053 7.467 1.00 0.00 C ATOM 512 C ALA A 36 -4.418 -2.135 7.712 1.00 0.00 C ATOM 513 O ALA A 36 -3.836 -3.221 7.640 1.00 0.00 O ATOM 514 CB ALA A 36 -6.706 -2.324 8.748 1.00 0.00 C ATOM 0 H ALA A 36 -6.554 -3.942 6.861 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.184 -1.051 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.453 -1.573 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.774 -2.279 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.452 -3.314 9.128 1.00 0.00 H new ATOM 520 N ILE A 37 -3.816 -0.979 7.977 1.00 0.00 N ATOM 521 CA ILE A 37 -2.478 -0.818 8.501 1.00 0.00 C ATOM 522 C ILE A 37 -2.513 -1.230 9.977 1.00 0.00 C ATOM 523 O ILE A 37 -3.557 -1.170 10.637 1.00 0.00 O ATOM 524 CB ILE A 37 -1.963 0.625 8.221 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.955 0.906 6.695 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.518 0.837 8.719 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.503 2.294 6.216 1.00 0.00 C ATOM 0 H ILE A 37 -4.281 -0.085 7.821 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.751 -1.461 8.006 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.638 1.296 8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.310 0.164 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.964 0.736 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.204 1.858 8.501 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.475 0.666 9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.147 0.137 8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.552 2.337 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.158 3.056 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.478 2.475 6.541 1.00 0.00 H new ATOM 539 N THR A 38 -1.360 -1.672 10.470 1.00 0.00 N ATOM 540 CA THR A 38 -1.157 -2.083 11.849 1.00 0.00 C ATOM 541 C THR A 38 0.058 -1.403 12.486 1.00 0.00 C ATOM 542 O THR A 38 0.187 -1.392 13.712 1.00 0.00 O ATOM 543 CB THR A 38 -1.017 -3.614 11.876 1.00 0.00 C ATOM 544 OG1 THR A 38 0.165 -4.006 11.201 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.196 -4.327 11.214 1.00 0.00 C ATOM 0 H THR A 38 -0.518 -1.755 9.901 1.00 0.00 H new ATOM 0 HA THR A 38 -2.016 -1.773 12.444 1.00 0.00 H new ATOM 0 HB THR A 38 -0.985 -3.900 12.927 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.247 -4.982 11.225 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.043 -5.405 11.262 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.117 -4.067 11.735 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.269 -4.018 10.171 1.00 0.00 H new ATOM 553 N SER A 39 0.969 -0.853 11.680 1.00 0.00 N ATOM 554 CA SER A 39 2.108 -0.041 12.088 1.00 0.00 C ATOM 555 C SER A 39 2.660 0.695 10.869 1.00 0.00 C ATOM 556 O SER A 39 2.497 0.227 9.740 1.00 0.00 O ATOM 557 CB SER A 39 3.198 -0.953 12.657 1.00 0.00 C ATOM 558 OG SER A 39 2.927 -1.237 14.019 1.00 0.00 O ATOM 0 H SER A 39 0.925 -0.972 10.668 1.00 0.00 H new ATOM 0 HA SER A 39 1.795 0.678 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.244 -1.880 12.085 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.172 -0.472 12.563 1.00 0.00 H new ATOM 0 HG SER A 39 1.962 -1.351 14.144 1.00 0.00 H new ATOM 564 N LEU A 40 3.379 1.799 11.092 1.00 0.00 N ATOM 565 CA LEU A 40 4.032 2.589 10.047 1.00 0.00 C ATOM 566 C LEU A 40 5.421 3.030 10.531 1.00 0.00 C ATOM 567 O LEU A 40 5.560 3.489 11.660 1.00 0.00 O ATOM 568 CB LEU A 40 3.130 3.792 9.747 1.00 0.00 C ATOM 569 CG LEU A 40 3.688 4.756 8.678 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.030 4.494 7.325 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.468 6.211 9.088 1.00 0.00 C ATOM 0 H LEU A 40 3.526 2.177 12.028 1.00 0.00 H new ATOM 0 HA LEU A 40 4.174 2.007 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.157 3.428 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.967 4.348 10.670 1.00 0.00 H new ATOM 0 HG LEU A 40 4.760 4.577 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.435 5.183 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.231 3.468 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.954 4.644 7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.870 6.871 8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.401 6.398 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.976 6.404 10.033 1.00 0.00 H new ATOM 583 N LYS A 41 6.453 2.917 9.691 1.00 0.00 N ATOM 584 CA LYS A 41 7.811 3.421 9.944 1.00 0.00 C ATOM 585 C LYS A 41 8.447 4.026 8.681 1.00 0.00 C ATOM 586 O LYS A 41 9.453 3.536 8.162 1.00 0.00 O ATOM 587 CB LYS A 41 8.654 2.325 10.624 1.00 0.00 C ATOM 588 CG LYS A 41 9.967 2.863 11.223 1.00 0.00 C ATOM 589 CD LYS A 41 11.248 2.472 10.458 1.00 0.00 C ATOM 590 CE LYS A 41 12.196 1.630 11.319 1.00 0.00 C ATOM 591 NZ LYS A 41 12.985 2.432 12.280 1.00 0.00 N ATOM 0 H LYS A 41 6.366 2.457 8.785 1.00 0.00 H new ATOM 0 HA LYS A 41 7.764 4.257 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.065 1.858 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.885 1.547 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.908 3.950 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.053 2.505 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.979 1.913 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.763 3.374 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.615 0.888 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.878 1.083 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.605 1.804 12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.564 3.123 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.341 2.934 12.924 1.00 0.00 H new ATOM 605 N GLY A 42 7.911 5.151 8.217 1.00 0.00 N ATOM 606 CA GLY A 42 8.585 6.040 7.274 1.00 0.00 C ATOM 607 C GLY A 42 8.391 5.640 5.828 1.00 0.00 C ATOM 608 O GLY A 42 7.512 6.191 5.167 1.00 0.00 O ATOM 0 H GLY A 42 6.983 5.476 8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.215 7.055 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.651 6.055 7.499 1.00 0.00 H new ATOM 612 N SER A 43 9.176 4.675 5.358 1.00 0.00 N ATOM 613 CA SER A 43 8.991 3.999 4.077 1.00 0.00 C ATOM 614 C SER A 43 8.659 2.537 4.329 1.00 0.00 C ATOM 615 O SER A 43 9.254 1.633 3.744 1.00 0.00 O ATOM 616 CB SER A 43 10.185 4.236 3.147 1.00 0.00 C ATOM 617 OG SER A 43 11.432 3.851 3.693 1.00 0.00 O ATOM 0 H SER A 43 9.985 4.330 5.875 1.00 0.00 H new ATOM 0 HA SER A 43 8.143 4.423 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.023 3.688 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.225 5.294 2.889 1.00 0.00 H new ATOM 0 HG SER A 43 12.143 4.030 3.043 1.00 0.00 H new ATOM 623 N LEU A 44 7.745 2.314 5.264 1.00 0.00 N ATOM 624 CA LEU A 44 7.364 1.001 5.739 1.00 0.00 C ATOM 625 C LEU A 44 5.991 1.110 6.384 1.00 0.00 C ATOM 626 O LEU A 44 5.768 1.972 7.225 1.00 0.00 O ATOM 627 CB LEU A 44 8.424 0.483 6.722 1.00 0.00 C ATOM 628 CG LEU A 44 8.472 -1.041 6.915 1.00 0.00 C ATOM 629 CD1 LEU A 44 7.284 -1.653 7.651 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.764 -1.808 5.620 1.00 0.00 C ATOM 0 H LEU A 44 7.236 3.069 5.724 1.00 0.00 H new ATOM 0 HA LEU A 44 7.307 0.286 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.403 0.818 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.250 0.947 7.693 1.00 0.00 H new ATOM 0 HG LEU A 44 9.323 -1.165 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.422 -2.731 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.213 -1.221 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.367 -1.444 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.784 -2.878 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.986 -1.595 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.731 -1.497 5.223 1.00 0.00 H new ATOM 642 N ALA A 45 5.083 0.212 6.046 1.00 0.00 N ATOM 643 CA ALA A 45 3.809 0.006 6.734 1.00 0.00 C ATOM 644 C ALA A 45 3.636 -1.499 6.892 1.00 0.00 C ATOM 645 O ALA A 45 4.163 -2.238 6.060 1.00 0.00 O ATOM 646 CB ALA A 45 2.649 0.577 5.911 1.00 0.00 C ATOM 0 H ALA A 45 5.212 -0.420 5.256 1.00 0.00 H new ATOM 0 HA ALA A 45 3.808 0.513 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.711 0.413 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.800 1.646 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.610 0.079 4.942 1.00 0.00 H new ATOM 652 N TRP A 46 2.875 -1.953 7.885 1.00 0.00 N ATOM 653 CA TRP A 46 2.442 -3.349 8.022 1.00 0.00 C ATOM 654 C TRP A 46 0.931 -3.419 7.876 1.00 0.00 C ATOM 655 O TRP A 46 0.257 -2.444 8.205 1.00 0.00 O ATOM 656 CB TRP A 46 2.911 -3.984 9.335 1.00 0.00 C ATOM 657 CG TRP A 46 4.252 -4.631 9.218 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.429 -3.975 9.237 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.576 -6.029 8.939 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.456 -4.864 9.014 1.00 0.00 N ATOM 661 CE2 TRP A 46 5.990 -6.137 8.799 1.00 0.00 C ATOM 662 CE3 TRP A 46 3.836 -7.223 8.775 1.00 0.00 C ATOM 663 CZ2 TRP A 46 6.630 -7.345 8.493 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.470 -8.436 8.450 1.00 0.00 C ATOM 665 CH2 TRP A 46 5.865 -8.503 8.308 1.00 0.00 C ATOM 0 H TRP A 46 2.533 -1.351 8.634 1.00 0.00 H new ATOM 0 HA TRP A 46 2.909 -3.932 7.228 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.948 -3.219 10.110 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.181 -4.727 9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.548 -2.914 9.402 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.443 -4.608 9.009 1.00 0.00 H new ATOM 0 HE3 TRP A 46 2.764 -7.203 8.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 7.705 -7.383 8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.876 -9.327 8.308 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.343 -9.439 8.059 1.00 0.00 H new ATOM 676 N LEU A 47 0.426 -4.539 7.352 1.00 0.00 N ATOM 677 CA LEU A 47 -0.959 -4.725 6.925 1.00 0.00 C ATOM 678 C LEU A 47 -1.460 -6.105 7.374 1.00 0.00 C ATOM 679 O LEU A 47 -0.650 -6.963 7.749 1.00 0.00 O ATOM 680 CB LEU A 47 -1.043 -4.594 5.389 1.00 0.00 C ATOM 681 CG LEU A 47 -0.672 -3.209 4.821 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.363 -3.275 3.324 1.00 0.00 C ATOM 683 CD2 LEU A 47 -1.753 -2.163 5.016 1.00 0.00 C ATOM 0 H LEU A 47 0.996 -5.373 7.209 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.589 -3.962 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.385 -5.339 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.059 -4.836 5.076 1.00 0.00 H new ATOM 0 HG LEU A 47 0.211 -2.913 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.106 -2.280 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.476 -3.950 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.238 -3.642 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.422 -1.215 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.666 -2.486 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.948 -2.036 6.081 1.00 0.00 H new ATOM 695 N GLU A 48 -2.780 -6.330 7.342 1.00 0.00 N ATOM 696 CA GLU A 48 -3.423 -7.539 7.882 1.00 0.00 C ATOM 697 C GLU A 48 -4.619 -8.065 7.095 1.00 0.00 C ATOM 698 O GLU A 48 -5.365 -8.907 7.600 1.00 0.00 O ATOM 699 CB GLU A 48 -3.785 -7.300 9.362 1.00 0.00 C ATOM 700 CG GLU A 48 -4.812 -6.177 9.558 1.00 0.00 C ATOM 701 CD GLU A 48 -5.478 -6.221 10.935 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.885 -5.735 11.927 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.654 -6.651 11.026 1.00 0.00 O ATOM 0 H GLU A 48 -3.442 -5.669 6.935 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.687 -8.337 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.180 -8.223 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.879 -7.056 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.320 -5.213 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.578 -6.251 8.786 1.00 0.00 H new ATOM 710 N LEU A 49 -4.771 -7.617 5.853 1.00 0.00 N ATOM 711 CA LEU A 49 -5.963 -7.761 5.021 1.00 0.00 C ATOM 712 C LEU A 49 -7.235 -7.224 5.690 1.00 0.00 C ATOM 713 O LEU A 49 -7.301 -7.013 6.899 1.00 0.00 O ATOM 714 CB LEU A 49 -6.130 -9.218 4.543 1.00 0.00 C ATOM 715 CG LEU A 49 -5.591 -9.512 3.140 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.932 -10.961 2.761 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.209 -8.649 2.033 1.00 0.00 C ATOM 0 H LEU A 49 -4.024 -7.115 5.372 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.810 -7.135 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.628 -9.876 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.190 -9.472 4.568 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.522 -9.306 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.550 -11.175 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.474 -11.642 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.014 -11.095 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.772 -8.922 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.286 -8.814 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.009 -7.597 2.237 1.00 0.00 H new ATOM 729 N PHE A 50 -8.265 -6.968 4.886 1.00 0.00 N ATOM 730 CA PHE A 50 -9.603 -6.709 5.400 1.00 0.00 C ATOM 731 C PHE A 50 -10.247 -8.056 5.721 1.00 0.00 C ATOM 732 O PHE A 50 -10.567 -8.338 6.877 1.00 0.00 O ATOM 733 CB PHE A 50 -10.411 -5.873 4.389 1.00 0.00 C ATOM 734 CG PHE A 50 -10.880 -4.540 4.929 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.981 -3.696 5.604 1.00 0.00 C ATOM 736 CD2 PHE A 50 -12.221 -4.148 4.788 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.427 -2.499 6.178 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.655 -2.930 5.337 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.766 -2.107 6.043 1.00 0.00 C ATOM 0 H PHE A 50 -8.194 -6.935 3.869 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.572 -6.117 6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.798 -5.700 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.279 -6.449 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.940 -3.972 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.917 -4.782 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.737 -1.876 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.684 -2.624 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.110 -1.180 6.478 1.00 0.00 H new ATOM 781 N GLN A 54 -8.684 -12.820 -0.553 1.00 0.00 N ATOM 782 CA GLN A 54 -7.254 -12.964 -0.333 1.00 0.00 C ATOM 783 C GLN A 54 -6.609 -13.439 -1.643 1.00 0.00 C ATOM 784 O GLN A 54 -7.322 -13.965 -2.514 1.00 0.00 O ATOM 785 CB GLN A 54 -6.979 -13.938 0.826 1.00 0.00 C ATOM 786 CG GLN A 54 -7.541 -15.347 0.637 1.00 0.00 C ATOM 787 CD GLN A 54 -7.133 -16.265 1.775 1.00 0.00 C ATOM 788 OE1 GLN A 54 -6.489 -17.286 1.556 1.00 0.00 O ATOM 789 NE2 GLN A 54 -7.533 -15.979 3.001 1.00 0.00 N ATOM 0 HA GLN A 54 -6.817 -12.007 -0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.901 -14.010 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.396 -13.517 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.628 -15.301 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.186 -15.758 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.068 -15.129 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.307 -16.608 3.771 1.00 0.00 H new ATOM 798 N PRO A 55 -5.284 -13.284 -1.794 1.00 0.00 N ATOM 799 CA PRO A 55 -4.556 -13.856 -2.915 1.00 0.00 C ATOM 800 C PRO A 55 -4.518 -15.390 -2.822 1.00 0.00 C ATOM 801 O PRO A 55 -4.882 -15.949 -1.785 1.00 0.00 O ATOM 802 CB PRO A 55 -3.158 -13.242 -2.838 1.00 0.00 C ATOM 803 CG PRO A 55 -2.982 -12.871 -1.372 1.00 0.00 C ATOM 804 CD PRO A 55 -4.394 -12.548 -0.912 1.00 0.00 C ATOM 0 HA PRO A 55 -5.031 -13.636 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.396 -13.950 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.074 -12.366 -3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.552 -13.693 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.316 -12.016 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.543 -12.844 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.587 -11.477 -0.969 1.00 0.00 H new ATOM 812 N PRO A 56 -4.081 -16.098 -3.879 1.00 0.00 N ATOM 813 CA PRO A 56 -3.809 -17.523 -3.761 1.00 0.00 C ATOM 814 C PRO A 56 -2.624 -17.763 -2.807 1.00 0.00 C ATOM 815 O PRO A 56 -1.780 -16.875 -2.637 1.00 0.00 O ATOM 816 CB PRO A 56 -3.494 -18.020 -5.177 1.00 0.00 C ATOM 817 CG PRO A 56 -3.405 -16.776 -6.063 1.00 0.00 C ATOM 818 CD PRO A 56 -3.610 -15.570 -5.152 1.00 0.00 C ATOM 0 HA PRO A 56 -4.660 -18.062 -3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.557 -18.576 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.272 -18.695 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.437 -16.724 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.164 -16.803 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.680 -15.017 -5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.336 -14.878 -5.579 1.00 0.00 H new ATOM 826 N PRO A 57 -2.486 -18.982 -2.255 1.00 0.00 N ATOM 827 CA PRO A 57 -1.335 -19.333 -1.437 1.00 0.00 C ATOM 828 C PRO A 57 -0.071 -19.345 -2.294 1.00 0.00 C ATOM 829 O PRO A 57 -0.140 -19.484 -3.520 1.00 0.00 O ATOM 830 CB PRO A 57 -1.659 -20.711 -0.855 1.00 0.00 C ATOM 831 CG PRO A 57 -2.566 -21.335 -1.914 1.00 0.00 C ATOM 832 CD PRO A 57 -3.347 -20.137 -2.454 1.00 0.00 C ATOM 0 HA PRO A 57 -1.147 -18.616 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.758 -21.303 -0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.161 -20.633 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.990 -21.827 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.228 -22.087 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.586 -20.269 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.293 -20.016 -1.925 1.00 0.00 H new ATOM 840 N ASN A 58 1.099 -19.230 -1.654 1.00 0.00 N ATOM 841 CA ASN A 58 2.418 -19.223 -2.300 1.00 0.00 C ATOM 842 C ASN A 58 2.476 -18.215 -3.462 1.00 0.00 C ATOM 843 O ASN A 58 3.165 -18.447 -4.460 1.00 0.00 O ATOM 844 CB ASN A 58 2.828 -20.646 -2.740 1.00 0.00 C ATOM 845 CG ASN A 58 3.050 -21.670 -1.629 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.099 -21.358 -0.439 1.00 0.00 O ATOM 847 ND2 ASN A 58 3.183 -22.932 -1.998 1.00 0.00 N ATOM 0 H ASN A 58 1.156 -19.136 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 58 3.149 -18.890 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.058 -21.031 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.747 -20.571 -3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.328 -23.656 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.141 -23.182 -2.986 1.00 0.00 H new ATOM 854 N THR A 59 1.719 -17.115 -3.382 1.00 0.00 N ATOM 855 CA THR A 59 1.596 -16.118 -4.447 1.00 0.00 C ATOM 856 C THR A 59 1.779 -14.684 -3.906 1.00 0.00 C ATOM 857 O THR A 59 1.784 -13.717 -4.663 1.00 0.00 O ATOM 858 CB THR A 59 0.264 -16.359 -5.189 1.00 0.00 C ATOM 859 OG1 THR A 59 0.142 -17.721 -5.577 1.00 0.00 O ATOM 860 CG2 THR A 59 0.137 -15.517 -6.456 1.00 0.00 C ATOM 0 H THR A 59 1.164 -16.890 -2.557 1.00 0.00 H new ATOM 0 HA THR A 59 2.400 -16.230 -5.174 1.00 0.00 H new ATOM 0 HB THR A 59 -0.520 -16.076 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.096 -18.264 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.818 -15.726 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.189 -14.460 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.950 -15.763 -7.139 1.00 0.00 H new ATOM 868 N LEU A 60 1.970 -14.521 -2.597 1.00 0.00 N ATOM 869 CA LEU A 60 2.575 -13.342 -1.995 1.00 0.00 C ATOM 870 C LEU A 60 3.989 -13.681 -1.588 1.00 0.00 C ATOM 871 O LEU A 60 4.224 -14.796 -1.119 1.00 0.00 O ATOM 872 CB LEU A 60 1.817 -12.917 -0.737 1.00 0.00 C ATOM 873 CG LEU A 60 0.637 -11.981 -0.987 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.160 -11.405 0.340 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.945 -10.792 -1.909 1.00 0.00 C ATOM 0 H LEU A 60 1.700 -15.226 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 60 2.548 -12.531 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.453 -13.810 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.514 -12.427 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.115 -12.595 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.683 -10.736 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.152 -12.216 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.972 -10.850 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.049 -10.183 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.739 -10.187 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.266 -11.161 -2.883 1.00 0.00 H new ATOM 887 N SER A 61 4.901 -12.713 -1.704 1.00 0.00 N ATOM 888 CA SER A 61 6.316 -12.919 -1.472 1.00 0.00 C ATOM 889 C SER A 61 6.986 -11.601 -1.065 1.00 0.00 C ATOM 890 O SER A 61 6.466 -10.524 -1.358 1.00 0.00 O ATOM 891 CB SER A 61 6.939 -13.411 -2.792 1.00 0.00 C ATOM 892 OG SER A 61 6.109 -14.306 -3.516 1.00 0.00 O ATOM 0 H SER A 61 4.666 -11.756 -1.965 1.00 0.00 H new ATOM 0 HA SER A 61 6.460 -13.645 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.164 -12.549 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.887 -13.904 -2.575 1.00 0.00 H new ATOM 0 HG SER A 61 6.562 -14.578 -4.341 1.00 0.00 H new ATOM 898 N GLU A 62 8.171 -11.662 -0.450 1.00 0.00 N ATOM 899 CA GLU A 62 8.881 -10.508 0.135 1.00 0.00 C ATOM 900 C GLU A 62 9.401 -9.462 -0.874 1.00 0.00 C ATOM 901 O GLU A 62 10.002 -8.451 -0.497 1.00 0.00 O ATOM 902 CB GLU A 62 10.039 -10.966 1.038 1.00 0.00 C ATOM 903 CG GLU A 62 9.697 -12.053 2.071 1.00 0.00 C ATOM 904 CD GLU A 62 10.706 -12.110 3.236 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.861 -11.609 3.093 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.379 -12.623 4.312 1.00 0.00 O ATOM 0 H GLU A 62 8.682 -12.538 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 62 8.113 -10.001 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.844 -11.336 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.426 -10.096 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.699 -11.868 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.667 -13.023 1.575 1.00 0.00 H new ATOM 913 N GLY A 63 9.180 -9.683 -2.161 1.00 0.00 N ATOM 914 CA GLY A 63 9.642 -8.870 -3.270 1.00 0.00 C ATOM 915 C GLY A 63 8.533 -8.670 -4.294 1.00 0.00 C ATOM 916 O GLY A 63 8.832 -8.275 -5.425 1.00 0.00 O ATOM 0 H GLY A 63 8.638 -10.488 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.981 -7.902 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.499 -9.348 -3.744 1.00 0.00 H new ATOM 920 N ALA A 64 7.275 -8.948 -3.922 1.00 0.00 N ATOM 921 CA ALA A 64 6.133 -8.694 -4.783 1.00 0.00 C ATOM 922 C ALA A 64 6.048 -7.180 -4.921 1.00 0.00 C ATOM 923 O ALA A 64 6.057 -6.491 -3.899 1.00 0.00 O ATOM 924 CB ALA A 64 4.866 -9.287 -4.150 1.00 0.00 C ATOM 0 H ALA A 64 7.031 -9.353 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 64 6.235 -9.159 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.011 -9.095 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.991 -10.362 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.695 -8.825 -3.178 1.00 0.00 H new ATOM 930 N GLU A 65 6.034 -6.647 -6.144 1.00 0.00 N ATOM 931 CA GLU A 65 5.648 -5.270 -6.337 1.00 0.00 C ATOM 932 C GLU A 65 4.131 -5.199 -6.249 1.00 0.00 C ATOM 933 O GLU A 65 3.405 -6.058 -6.772 1.00 0.00 O ATOM 934 CB GLU A 65 6.219 -4.637 -7.602 1.00 0.00 C ATOM 935 CG GLU A 65 5.938 -5.334 -8.931 1.00 0.00 C ATOM 936 CD GLU A 65 6.364 -4.419 -10.083 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.442 -3.779 -9.977 1.00 0.00 O ATOM 938 OE2 GLU A 65 5.613 -4.340 -11.078 1.00 0.00 O ATOM 0 H GLU A 65 6.283 -7.148 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 65 6.088 -4.660 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.837 -3.618 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.300 -4.565 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.481 -6.278 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.877 -5.571 -9.013 1.00 0.00 H new ATOM 945 N VAL A 66 3.696 -4.180 -5.524 1.00 0.00 N ATOM 946 CA VAL A 66 2.323 -3.901 -5.157 1.00 0.00 C ATOM 947 C VAL A 66 2.113 -2.387 -5.201 1.00 0.00 C ATOM 948 O VAL A 66 2.987 -1.620 -4.788 1.00 0.00 O ATOM 949 CB VAL A 66 1.981 -4.477 -3.769 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.276 -5.975 -3.709 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.711 -3.806 -2.602 1.00 0.00 C ATOM 0 H VAL A 66 4.339 -3.481 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 66 1.650 -4.386 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 66 0.916 -4.276 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.026 -6.356 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.679 -6.494 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.334 -6.146 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.409 -4.275 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.787 -3.918 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.457 -2.746 -2.575 1.00 0.00 H new ATOM 961 N SER A 67 0.952 -1.942 -5.658 1.00 0.00 N ATOM 962 CA SER A 67 0.579 -0.539 -5.613 1.00 0.00 C ATOM 963 C SER A 67 -0.251 -0.269 -4.356 1.00 0.00 C ATOM 964 O SER A 67 -0.736 -1.197 -3.705 1.00 0.00 O ATOM 965 CB SER A 67 -0.188 -0.178 -6.882 1.00 0.00 C ATOM 966 OG SER A 67 0.378 -0.765 -8.034 1.00 0.00 O ATOM 0 H SER A 67 0.242 -2.546 -6.071 1.00 0.00 H new ATOM 0 HA SER A 67 1.470 0.086 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.224 -0.503 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.203 0.906 -6.999 1.00 0.00 H new ATOM 0 HG SER A 67 -0.145 -0.509 -8.822 1.00 0.00 H new ATOM 972 N VAL A 68 -0.445 1.006 -4.024 1.00 0.00 N ATOM 973 CA VAL A 68 -1.225 1.444 -2.875 1.00 0.00 C ATOM 974 C VAL A 68 -2.020 2.678 -3.271 1.00 0.00 C ATOM 975 O VAL A 68 -1.506 3.517 -4.014 1.00 0.00 O ATOM 976 CB VAL A 68 -0.312 1.757 -1.666 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.186 0.550 -0.737 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.095 2.264 -2.032 1.00 0.00 C ATOM 0 H VAL A 68 -0.053 1.779 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.901 0.644 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.815 2.578 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.462 0.803 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.172 0.274 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.242 -0.289 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.661 2.456 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.610 1.510 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.011 3.185 -2.608 1.00 0.00 H new ATOM 988 N SER A 69 -3.231 2.829 -2.734 1.00 0.00 N ATOM 989 CA SER A 69 -4.016 4.049 -2.812 1.00 0.00 C ATOM 990 C SER A 69 -4.803 4.218 -1.514 1.00 0.00 C ATOM 991 O SER A 69 -5.107 3.218 -0.853 1.00 0.00 O ATOM 992 CB SER A 69 -4.920 4.001 -4.055 1.00 0.00 C ATOM 993 OG SER A 69 -5.995 3.097 -3.941 1.00 0.00 O ATOM 0 H SER A 69 -3.700 2.083 -2.220 1.00 0.00 H new ATOM 0 HA SER A 69 -3.371 4.921 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.315 4.999 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.317 3.727 -4.921 1.00 0.00 H new ATOM 0 HG SER A 69 -6.529 3.118 -4.763 1.00 0.00 H new ATOM 999 N VAL A 70 -5.132 5.458 -1.149 1.00 0.00 N ATOM 1000 CA VAL A 70 -6.021 5.797 -0.051 1.00 0.00 C ATOM 1001 C VAL A 70 -6.565 7.201 -0.312 1.00 0.00 C ATOM 1002 O VAL A 70 -5.923 8.019 -0.976 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.264 5.673 1.293 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.040 6.597 1.409 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.187 5.901 2.494 1.00 0.00 C ATOM 0 H VAL A 70 -4.770 6.280 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.865 5.111 0.015 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.898 4.646 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.564 6.451 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.329 6.361 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.358 7.635 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.614 5.805 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.618 6.901 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.987 5.160 2.484 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.760 7.479 0.194 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.342 8.807 0.172 1.00 0.00 C ATOM 1017 C TRP A 71 -7.947 9.520 1.463 1.00 0.00 C ATOM 1018 O TRP A 71 -8.322 9.065 2.544 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.857 8.675 0.028 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.334 8.238 -1.323 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.565 6.969 -1.727 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.628 9.079 -2.474 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.999 6.980 -3.040 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -11.015 8.254 -3.566 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.591 10.466 -2.701 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -11.290 8.786 -4.837 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.913 11.020 -3.950 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -11.246 10.179 -5.024 1.00 0.00 C ATOM 0 H TRP A 71 -8.356 6.778 0.635 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.977 9.395 -0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.216 7.962 0.770 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.313 9.637 0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.432 6.086 -1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.274 6.145 -3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.307 11.123 -1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.533 8.132 -5.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.905 12.092 -4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.468 10.602 -5.993 1.00 0.00 H new ATOM 1039 N THR A 72 -7.170 10.597 1.376 1.00 0.00 N ATOM 1040 CA THR A 72 -6.902 11.500 2.492 1.00 0.00 C ATOM 1041 C THR A 72 -6.631 12.896 1.907 1.00 0.00 C ATOM 1042 O THR A 72 -6.560 13.052 0.685 1.00 0.00 O ATOM 1043 CB THR A 72 -5.765 10.931 3.371 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.750 11.601 4.612 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.385 11.021 2.712 1.00 0.00 C ATOM 0 H THR A 72 -6.701 10.871 0.513 1.00 0.00 H new ATOM 0 HA THR A 72 -7.754 11.592 3.166 1.00 0.00 H new ATOM 0 HB THR A 72 -5.972 9.870 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.030 11.239 5.170 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.634 10.604 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.390 10.458 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.148 12.065 2.505 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.521 13.936 2.738 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.304 15.304 2.279 1.00 0.00 C ATOM 1055 C GLY A 73 -7.426 15.829 1.378 1.00 0.00 C ATOM 1056 O GLY A 73 -7.194 16.758 0.606 1.00 0.00 O ATOM 0 H GLY A 73 -6.581 13.849 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.207 15.959 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.360 15.352 1.736 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.615 15.216 1.405 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.710 15.499 0.484 1.00 0.00 C ATOM 1062 C GLY A 74 -9.529 14.855 -0.899 1.00 0.00 C ATOM 1063 O GLY A 74 -10.496 14.789 -1.660 1.00 0.00 O ATOM 0 H GLY A 74 -8.843 14.492 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.643 15.145 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.804 16.578 0.364 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.358 14.294 -1.212 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.957 13.796 -2.524 1.00 0.00 C ATOM 1069 C ALA A 75 -7.657 12.290 -2.472 1.00 0.00 C ATOM 1070 O ALA A 75 -7.825 11.657 -1.426 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.724 14.597 -2.948 1.00 0.00 C ATOM 0 H ALA A 75 -7.625 14.170 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.760 13.924 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.388 14.257 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.978 15.656 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.926 14.450 -2.220 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.226 11.707 -3.595 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.758 10.326 -3.693 1.00 0.00 C ATOM 1079 C LEU A 76 -5.237 10.315 -3.834 1.00 0.00 C ATOM 1080 O LEU A 76 -4.712 10.542 -4.929 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.426 9.622 -4.885 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.978 8.154 -5.046 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.619 7.248 -3.990 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -7.348 7.630 -6.438 1.00 0.00 C ATOM 0 H LEU A 76 -7.193 12.201 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.030 9.784 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.508 9.654 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.195 10.169 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.896 8.134 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.280 6.223 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.330 7.588 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.704 7.288 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.025 6.593 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.428 7.687 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.855 8.236 -7.198 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.516 10.033 -2.751 1.00 0.00 N ATOM 1097 CA CYS A 77 -3.099 9.733 -2.807 1.00 0.00 C ATOM 1098 C CYS A 77 -2.927 8.309 -3.333 1.00 0.00 C ATOM 1099 O CYS A 77 -3.632 7.404 -2.875 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.504 9.862 -1.401 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.711 11.547 -0.749 1.00 0.00 S ATOM 0 H CYS A 77 -4.906 10.008 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.583 10.427 -3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.987 9.149 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.444 9.607 -1.427 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.197 11.617 0.443 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.981 8.067 -4.251 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.620 6.685 -4.571 1.00 0.00 C ATOM 1109 C ARG A 78 -0.152 6.601 -4.960 1.00 0.00 C ATOM 1110 O ARG A 78 0.469 7.621 -5.274 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.580 6.089 -5.625 1.00 0.00 C ATOM 1112 CG ARG A 78 -2.186 6.083 -7.106 1.00 0.00 C ATOM 1113 CD ARG A 78 -1.638 4.705 -7.499 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.373 4.603 -8.937 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.392 3.900 -9.513 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.489 3.236 -8.777 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -0.304 3.887 -10.835 1.00 0.00 N ATOM 0 H ARG A 78 -1.470 8.783 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.740 6.064 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.775 5.056 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.525 6.627 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.051 6.328 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.434 6.849 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.718 4.511 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.353 3.935 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.997 5.118 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.423 3.258 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.233 2.703 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.978 4.408 -11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.438 3.356 -11.292 1.00 0.00 H new ATOM 1131 N CYS A 79 0.410 5.396 -4.930 1.00 0.00 N ATOM 1132 CA CYS A 79 1.812 5.151 -5.223 1.00 0.00 C ATOM 1133 C CYS A 79 2.038 3.708 -5.698 1.00 0.00 C ATOM 1134 O CYS A 79 1.075 2.964 -5.916 1.00 0.00 O ATOM 1135 CB CYS A 79 2.640 5.517 -3.981 1.00 0.00 C ATOM 1136 SG CYS A 79 4.269 6.094 -4.529 1.00 0.00 S ATOM 0 H CYS A 79 -0.109 4.549 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 79 2.141 5.780 -6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.137 6.293 -3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.745 4.652 -3.326 1.00 0.00 H new ATOM 0 HG CYS A 79 4.194 7.347 -4.867 1.00 0.00 H new ATOM 1142 N ASP A 80 3.307 3.346 -5.884 1.00 0.00 N ATOM 1143 CA ASP A 80 3.838 2.119 -6.477 1.00 0.00 C ATOM 1144 C ASP A 80 4.945 1.650 -5.526 1.00 0.00 C ATOM 1145 O ASP A 80 5.747 2.475 -5.077 1.00 0.00 O ATOM 1146 CB ASP A 80 4.507 2.425 -7.832 1.00 0.00 C ATOM 1147 CG ASP A 80 3.603 3.074 -8.881 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.502 4.322 -8.919 1.00 0.00 O ATOM 1149 OD2 ASP A 80 2.930 2.327 -9.636 1.00 0.00 O ATOM 0 H ASP A 80 4.063 3.966 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 80 3.044 1.387 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.360 3.081 -7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.900 1.495 -8.242 1.00 0.00 H new ATOM 1154 N GLY A 81 5.013 0.375 -5.157 1.00 0.00 N ATOM 1155 CA GLY A 81 5.899 -0.121 -4.104 1.00 0.00 C ATOM 1156 C GLY A 81 6.137 -1.618 -4.200 1.00 0.00 C ATOM 1157 O GLY A 81 5.802 -2.243 -5.205 1.00 0.00 O ATOM 0 H GLY A 81 4.446 -0.356 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.855 0.400 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.468 0.113 -3.131 1.00 0.00 H new ATOM 1161 N ARG A 82 6.784 -2.186 -3.178 1.00 0.00 N ATOM 1162 CA ARG A 82 6.994 -3.634 -3.063 1.00 0.00 C ATOM 1163 C ARG A 82 6.870 -4.049 -1.606 1.00 0.00 C ATOM 1164 O ARG A 82 6.706 -3.185 -0.752 1.00 0.00 O ATOM 1165 CB ARG A 82 8.335 -4.138 -3.636 1.00 0.00 C ATOM 1166 CG ARG A 82 8.827 -3.536 -4.958 1.00 0.00 C ATOM 1167 CD ARG A 82 9.596 -2.231 -4.752 1.00 0.00 C ATOM 1168 NE ARG A 82 10.481 -1.970 -5.897 1.00 0.00 N ATOM 1169 CZ ARG A 82 11.820 -2.001 -5.902 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.514 -2.279 -4.801 1.00 0.00 N ATOM 1171 NH2 ARG A 82 12.471 -1.756 -7.033 1.00 0.00 N ATOM 0 H ARG A 82 7.179 -1.653 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 82 6.220 -4.099 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.105 -3.965 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.256 -5.217 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.468 -4.256 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.974 -3.353 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.896 -1.405 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.184 -2.289 -3.836 1.00 0.00 H new ATOM 0 HE ARG A 82 10.027 -1.741 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.026 -2.475 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.533 -2.296 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.951 -1.547 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.491 -1.777 -7.049 1.00 0.00 H new ATOM 1185 N VAL A 83 6.938 -5.346 -1.323 1.00 0.00 N ATOM 1186 CA VAL A 83 6.643 -5.874 -0.003 1.00 0.00 C ATOM 1187 C VAL A 83 7.723 -5.544 1.049 1.00 0.00 C ATOM 1188 O VAL A 83 7.404 -5.229 2.185 1.00 0.00 O ATOM 1189 CB VAL A 83 6.315 -7.362 -0.172 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.350 -8.112 1.148 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.897 -7.512 -0.746 1.00 0.00 C ATOM 0 H VAL A 83 7.200 -6.058 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 83 5.772 -5.377 0.424 1.00 0.00 H new ATOM 0 HB VAL A 83 7.069 -7.779 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.111 -9.162 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.345 -8.033 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.619 -7.680 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.663 -8.570 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.178 -7.057 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.842 -7.016 -1.715 1.00 0.00 H new ATOM 1201 N GLU A 84 9.006 -5.613 0.716 1.00 0.00 N ATOM 1202 CA GLU A 84 10.175 -5.505 1.617 1.00 0.00 C ATOM 1203 C GLU A 84 10.294 -6.646 2.650 1.00 0.00 C ATOM 1204 O GLU A 84 11.390 -7.169 2.855 1.00 0.00 O ATOM 1205 CB GLU A 84 10.194 -4.134 2.331 1.00 0.00 C ATOM 1206 CG GLU A 84 11.579 -3.701 2.847 1.00 0.00 C ATOM 1207 CD GLU A 84 12.674 -3.475 1.785 1.00 0.00 C ATOM 1208 OE1 GLU A 84 12.366 -3.147 0.617 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.881 -3.560 2.121 1.00 0.00 O ATOM 0 H GLU A 84 9.290 -5.755 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 84 11.046 -5.598 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.823 -3.375 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.501 -4.167 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.458 -2.777 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.934 -4.459 3.546 1.00 0.00 H new ATOM 1216 N THR A 85 9.217 -7.009 3.354 1.00 0.00 N ATOM 1217 CA THR A 85 9.153 -8.096 4.333 1.00 0.00 C ATOM 1218 C THR A 85 7.733 -8.666 4.304 1.00 0.00 C ATOM 1219 O THR A 85 6.817 -8.060 4.845 1.00 0.00 O ATOM 1220 CB THR A 85 9.491 -7.588 5.751 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.679 -6.821 5.760 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.672 -8.743 6.743 1.00 0.00 C ATOM 0 H THR A 85 8.323 -6.529 3.251 1.00 0.00 H new ATOM 0 HA THR A 85 9.884 -8.864 4.079 1.00 0.00 H new ATOM 0 HB THR A 85 8.646 -6.970 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.863 -6.514 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.909 -8.342 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.751 -9.323 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.486 -9.386 6.408 1.00 0.00 H new ATOM 1230 N LEU A 86 7.501 -9.800 3.651 1.00 0.00 N ATOM 1231 CA LEU A 86 6.192 -10.453 3.684 1.00 0.00 C ATOM 1232 C LEU A 86 5.979 -11.095 5.040 1.00 0.00 C ATOM 1233 O LEU A 86 6.941 -11.231 5.804 1.00 0.00 O ATOM 1234 CB LEU A 86 6.159 -11.510 2.609 1.00 0.00 C ATOM 1235 CG LEU A 86 4.852 -11.973 2.015 1.00 0.00 C ATOM 1236 CD1 LEU A 86 4.081 -13.098 2.614 1.00 0.00 C ATOM 1237 CD2 LEU A 86 3.985 -10.896 1.350 1.00 0.00 C ATOM 0 H LEU A 86 8.201 -10.288 3.092 1.00 0.00 H new ATOM 0 HA LEU A 86 5.402 -9.721 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.773 -11.147 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.656 -12.392 3.013 1.00 0.00 H new ATOM 0 HG LEU A 86 5.331 -12.535 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.174 -13.268 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.691 -14.001 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.813 -12.849 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.074 -11.351 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.725 -10.133 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.539 -10.437 0.531 1.00 0.00 H new ATOM 1249 N ARG A 87 4.780 -11.628 5.298 1.00 0.00 N ATOM 1250 CA ARG A 87 4.710 -12.743 6.205 1.00 0.00 C ATOM 1251 C ARG A 87 3.784 -13.887 5.837 1.00 0.00 C ATOM 1252 O ARG A 87 4.244 -15.032 5.878 1.00 0.00 O ATOM 1253 CB ARG A 87 4.455 -12.157 7.610 1.00 0.00 C ATOM 1254 CG ARG A 87 4.105 -13.202 8.672 1.00 0.00 C ATOM 1255 CD ARG A 87 4.723 -12.893 10.036 1.00 0.00 C ATOM 1256 NE ARG A 87 5.210 -14.130 10.664 1.00 0.00 N ATOM 1257 CZ ARG A 87 6.228 -14.874 10.203 1.00 0.00 C ATOM 1258 NH1 ARG A 87 7.055 -14.420 9.267 1.00 0.00 N ATOM 1259 NH2 ARG A 87 6.412 -16.105 10.663 1.00 0.00 N ATOM 0 H ARG A 87 3.892 -11.314 4.906 1.00 0.00 H new ATOM 0 HA ARG A 87 5.664 -13.268 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.343 -11.613 7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.643 -11.433 7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.021 -13.260 8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.447 -14.182 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.546 -12.187 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.983 -12.417 10.679 1.00 0.00 H new ATOM 0 HE ARG A 87 4.740 -14.446 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.924 -13.485 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.820 -15.007 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.780 -16.486 11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.185 -16.670 10.313 1.00 0.00 H new ATOM 1273 N ASP A 88 2.523 -13.621 5.533 1.00 0.00 N ATOM 1274 CA ASP A 88 1.566 -14.631 5.110 1.00 0.00 C ATOM 1275 C ASP A 88 0.680 -14.021 4.032 1.00 0.00 C ATOM 1276 O ASP A 88 0.735 -12.814 3.788 1.00 0.00 O ATOM 1277 CB ASP A 88 0.686 -15.088 6.295 1.00 0.00 C ATOM 1278 CG ASP A 88 1.402 -15.873 7.398 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.633 -17.093 7.248 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.634 -15.316 8.495 1.00 0.00 O ATOM 0 H ASP A 88 2.129 -12.681 5.574 1.00 0.00 H new ATOM 0 HA ASP A 88 2.102 -15.500 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.228 -14.206 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.124 -15.705 5.904 1.00 0.00 H new ATOM 1285 N ASP A 89 -0.223 -14.823 3.467 1.00 0.00 N ATOM 1286 CA ASP A 89 -1.188 -14.418 2.432 1.00 0.00 C ATOM 1287 C ASP A 89 -2.039 -13.203 2.856 1.00 0.00 C ATOM 1288 O ASP A 89 -2.679 -12.566 2.019 1.00 0.00 O ATOM 1289 CB ASP A 89 -2.146 -15.571 2.075 1.00 0.00 C ATOM 1290 CG ASP A 89 -1.503 -16.810 1.457 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -0.389 -16.754 0.900 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -2.098 -17.901 1.618 1.00 0.00 O ATOM 0 H ASP A 89 -0.310 -15.807 3.723 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.587 -14.144 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.672 -15.873 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.896 -15.192 1.382 1.00 0.00 H new ATOM 1297 N ARG A 90 -2.063 -12.864 4.153 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.832 -11.772 4.738 1.00 0.00 C ATOM 1299 C ARG A 90 -1.967 -10.708 5.400 1.00 0.00 C ATOM 1300 O ARG A 90 -2.453 -9.595 5.563 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.887 -12.312 5.728 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.410 -13.457 6.645 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.534 -13.911 7.592 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.428 -15.347 7.914 1.00 0.00 N ATOM 1305 CZ ARG A 90 -4.784 -16.358 7.105 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.238 -16.110 5.880 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -4.686 -17.613 7.524 1.00 0.00 N ATOM 0 H ARG A 90 -1.519 -13.372 4.850 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.339 -11.280 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.229 -11.487 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.749 -12.660 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.079 -14.300 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.550 -13.127 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.493 -13.328 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.501 -13.712 7.131 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.052 -15.593 8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.317 -15.148 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.507 -16.882 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.340 -17.812 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.957 -18.379 6.908 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.724 -10.988 5.785 1.00 0.00 N ATOM 1322 CA GLN A 91 0.050 -10.089 6.633 1.00 0.00 C ATOM 1323 C GLN A 91 1.406 -9.876 6.011 1.00 0.00 C ATOM 1324 O GLN A 91 2.054 -10.845 5.627 1.00 0.00 O ATOM 1325 CB GLN A 91 0.248 -10.690 8.023 1.00 0.00 C ATOM 1326 CG GLN A 91 -1.067 -10.852 8.788 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.953 -11.623 10.104 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -1.964 -12.055 10.638 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.224 -11.918 10.637 1.00 0.00 N ATOM 0 H GLN A 91 -0.229 -11.839 5.519 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.491 -9.147 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.731 -11.663 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.922 -10.054 8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.474 -9.863 8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.784 -11.362 8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.080 -11.568 10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.273 -12.495 11.477 1.00 0.00 H new ATOM 1338 N PHE A 92 1.838 -8.626 5.928 1.00 0.00 N ATOM 1339 CA PHE A 92 3.132 -8.271 5.357 1.00 0.00 C ATOM 1340 C PHE A 92 3.442 -6.800 5.593 1.00 0.00 C ATOM 1341 O PHE A 92 2.569 -6.035 6.014 1.00 0.00 O ATOM 1342 CB PHE A 92 3.145 -8.591 3.854 1.00 0.00 C ATOM 1343 CG PHE A 92 1.891 -8.213 3.104 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.714 -6.905 2.637 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.893 -9.174 2.891 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.549 -6.552 1.942 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.323 -8.798 2.289 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.486 -7.492 1.789 1.00 0.00 C ATOM 0 H PHE A 92 1.299 -7.825 6.256 1.00 0.00 H new ATOM 0 HA PHE A 92 3.905 -8.860 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.991 -8.077 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.316 -9.660 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.479 -6.164 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.056 -10.200 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.446 -5.561 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.130 -9.511 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.402 -7.213 1.290 1.00 0.00 H new ATOM 1358 N ALA A 93 4.680 -6.414 5.295 1.00 0.00 N ATOM 1359 CA ALA A 93 5.147 -5.055 5.128 1.00 0.00 C ATOM 1360 C ALA A 93 4.929 -4.587 3.681 1.00 0.00 C ATOM 1361 O ALA A 93 4.696 -5.404 2.791 1.00 0.00 O ATOM 1362 CB ALA A 93 6.638 -4.968 5.466 1.00 0.00 C ATOM 0 H ALA A 93 5.428 -7.094 5.156 1.00 0.00 H new ATOM 0 HA ALA A 93 4.581 -4.412 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.981 -3.941 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.795 -5.276 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.201 -5.624 4.802 1.00 0.00 H new ATOM 1368 N ILE A 94 5.082 -3.283 3.442 1.00 0.00 N ATOM 1369 CA ILE A 94 5.336 -2.698 2.136 1.00 0.00 C ATOM 1370 C ILE A 94 6.353 -1.579 2.298 1.00 0.00 C ATOM 1371 O ILE A 94 6.278 -0.797 3.244 1.00 0.00 O ATOM 1372 CB ILE A 94 4.060 -2.144 1.464 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.199 -1.271 2.406 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.255 -3.280 0.824 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.103 -0.485 1.695 1.00 0.00 C ATOM 0 H ILE A 94 5.029 -2.585 4.184 1.00 0.00 H new ATOM 0 HA ILE A 94 5.714 -3.487 1.486 1.00 0.00 H new ATOM 0 HB ILE A 94 4.384 -1.468 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.742 -1.911 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.849 -0.573 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.359 -2.872 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.865 -3.778 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.967 -3.999 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.544 0.102 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.553 0.183 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.427 -1.177 1.192 1.00 0.00 H new ATOM 1387 N ARG A 95 7.268 -1.462 1.342 1.00 0.00 N ATOM 1388 CA ARG A 95 8.066 -0.278 1.075 1.00 0.00 C ATOM 1389 C ARG A 95 7.319 0.571 0.070 1.00 0.00 C ATOM 1390 O ARG A 95 6.775 0.062 -0.914 1.00 0.00 O ATOM 1391 CB ARG A 95 9.416 -0.704 0.476 1.00 0.00 C ATOM 1392 CG ARG A 95 10.565 -0.319 1.405 1.00 0.00 C ATOM 1393 CD ARG A 95 11.033 1.117 1.136 1.00 0.00 C ATOM 1394 NE ARG A 95 12.256 1.117 0.325 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.459 0.736 0.773 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.688 0.510 2.068 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.443 0.601 -0.098 1.00 0.00 N ATOM 0 H ARG A 95 7.481 -2.228 0.704 1.00 0.00 H new ATOM 0 HA ARG A 95 8.240 0.283 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.422 -1.781 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.554 -0.231 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.245 -0.412 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.397 -1.009 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.248 1.671 0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.216 1.629 2.081 1.00 0.00 H new ATOM 0 HE ARG A 95 12.185 1.428 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.936 0.627 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.615 0.221 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.277 0.786 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.368 0.312 0.219 1.00 0.00 H new ATOM 1411 N LEU A 96 7.365 1.880 0.280 1.00 0.00 N ATOM 1412 CA LEU A 96 6.993 2.858 -0.724 1.00 0.00 C ATOM 1413 C LEU A 96 8.290 3.296 -1.380 1.00 0.00 C ATOM 1414 O LEU A 96 9.298 3.452 -0.688 1.00 0.00 O ATOM 1415 CB LEU A 96 6.295 4.093 -0.120 1.00 0.00 C ATOM 1416 CG LEU A 96 5.122 3.854 0.851 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.152 2.754 0.410 1.00 0.00 C ATOM 1418 CD2 LEU A 96 5.631 3.597 2.272 1.00 0.00 C ATOM 0 H LEU A 96 7.665 2.293 1.163 1.00 0.00 H new ATOM 0 HA LEU A 96 6.286 2.412 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.049 4.681 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.928 4.706 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 96 4.541 4.776 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.358 2.651 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.718 3.017 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.689 1.810 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.784 3.431 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.272 2.716 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.200 4.461 2.617 1.00 0.00 H new ATOM 1430 N VAL A 97 8.262 3.529 -2.686 1.00 0.00 N ATOM 1431 CA VAL A 97 9.411 4.038 -3.428 1.00 0.00 C ATOM 1432 C VAL A 97 9.013 5.281 -4.227 1.00 0.00 C ATOM 1433 O VAL A 97 7.828 5.577 -4.393 1.00 0.00 O ATOM 1434 CB VAL A 97 10.031 2.909 -4.282 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.738 1.873 -3.391 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.032 2.208 -5.209 1.00 0.00 C ATOM 0 H VAL A 97 7.437 3.370 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 97 10.194 4.362 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 97 10.759 3.400 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.166 1.088 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.532 2.361 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.017 1.435 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.544 1.429 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.236 1.761 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.604 2.935 -5.899 1.00 0.00 H new ATOM 1446 N GLY A 98 10.002 6.041 -4.693 1.00 0.00 N ATOM 1447 CA GLY A 98 9.834 7.283 -5.416 1.00 0.00 C ATOM 1448 C GLY A 98 9.236 8.339 -4.499 1.00 0.00 C ATOM 1449 O GLY A 98 9.905 8.841 -3.592 1.00 0.00 O ATOM 0 H GLY A 98 10.983 5.790 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.796 7.624 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.185 7.127 -6.278 1.00 0.00 H new ATOM 1453 N ARG A 99 7.978 8.679 -4.755 1.00 0.00 N ATOM 1454 CA ARG A 99 7.254 9.813 -4.177 1.00 0.00 C ATOM 1455 C ARG A 99 5.758 9.548 -4.296 1.00 0.00 C ATOM 1456 O ARG A 99 5.322 9.067 -5.344 1.00 0.00 O ATOM 1457 CB ARG A 99 7.646 11.068 -4.981 1.00 0.00 C ATOM 1458 CG ARG A 99 7.509 12.413 -4.263 1.00 0.00 C ATOM 1459 CD ARG A 99 6.104 13.014 -4.244 1.00 0.00 C ATOM 1460 NE ARG A 99 6.174 14.482 -4.256 1.00 0.00 N ATOM 1461 CZ ARG A 99 5.778 15.321 -3.293 1.00 0.00 C ATOM 1462 NH1 ARG A 99 4.958 14.925 -2.319 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.241 16.559 -3.346 1.00 0.00 N ATOM 0 H ARG A 99 7.402 8.145 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 99 7.500 9.955 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.682 10.957 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.035 11.099 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.846 12.290 -3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.183 13.127 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.540 12.663 -5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.569 12.676 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 99 6.569 14.909 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.619 13.963 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.670 15.584 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.871 16.836 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.968 17.237 -2.634 1.00 0.00 H new ATOM 1477 N VAL A 100 4.962 9.929 -3.300 1.00 0.00 N ATOM 1478 CA VAL A 100 3.500 9.812 -3.337 1.00 0.00 C ATOM 1479 C VAL A 100 2.919 11.171 -3.734 1.00 0.00 C ATOM 1480 O VAL A 100 3.388 12.195 -3.227 1.00 0.00 O ATOM 1481 CB VAL A 100 2.930 9.378 -1.964 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.427 9.051 -2.039 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.646 8.186 -1.319 1.00 0.00 C ATOM 0 H VAL A 100 5.315 10.333 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 100 3.223 9.047 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 100 3.103 10.249 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.070 8.751 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.879 9.933 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.267 8.237 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.178 7.955 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.575 7.320 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.695 8.435 -1.159 1.00 0.00 H new ATOM 1493 N ARG A 101 1.886 11.197 -4.583 1.00 0.00 N ATOM 1494 CA ARG A 101 1.119 12.411 -4.853 1.00 0.00 C ATOM 1495 C ARG A 101 -0.374 12.107 -4.864 1.00 0.00 C ATOM 1496 O ARG A 101 -0.774 10.942 -4.865 1.00 0.00 O ATOM 1497 CB ARG A 101 1.623 13.114 -6.130 1.00 0.00 C ATOM 1498 CG ARG A 101 1.356 12.378 -7.462 1.00 0.00 C ATOM 1499 CD ARG A 101 0.293 13.048 -8.365 1.00 0.00 C ATOM 1500 NE ARG A 101 0.814 13.337 -9.720 1.00 0.00 N ATOM 1501 CZ ARG A 101 1.774 14.225 -10.024 1.00 0.00 C ATOM 1502 NH1 ARG A 101 2.343 14.948 -9.065 1.00 0.00 N ATOM 1503 NH2 ARG A 101 2.182 14.388 -11.276 1.00 0.00 N ATOM 0 H ARG A 101 1.562 10.379 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 101 1.278 13.125 -4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.161 14.100 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.697 13.271 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.292 12.306 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.037 11.359 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.578 12.397 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.043 13.975 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 101 0.406 12.813 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.051 14.829 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.072 15.622 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.765 13.834 -12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.912 15.067 -11.490 1.00 0.00 H new