USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 609 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 21 TYR OH : rot 180:sc= -1.53 USER MOD Set 1.2: A 79 SER OG : rot -90:sc= -0.364 USER MOD Single : A 12 CYS SG : rot 70:sc= -1.12 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 35 TYR OH : rot 130:sc= -0.585 USER MOD Single : A 36 MET CE :methyl -127:sc= 0 (180deg=-1.47) USER MOD Single : A 37 THR OG1 : rot -130:sc= 0 USER MOD Single : A 40 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-2.6) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -1.73 X(o=-1.7,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ -116:sc= 0.0396 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -162:sc= -0.219 (180deg=-0.735) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.212 -8.900 -11.417 1.00 0.00 N ATOM 84 CA PRO A 9 -0.130 -7.783 -10.472 1.00 0.00 C ATOM 85 C PRO A 9 0.401 -6.510 -11.124 1.00 0.00 C ATOM 86 O PRO A 9 1.171 -6.567 -12.082 1.00 0.00 O ATOM 87 CB PRO A 9 0.850 -8.288 -9.410 1.00 0.00 C ATOM 88 CG PRO A 9 1.686 -9.298 -10.115 1.00 0.00 C ATOM 89 CD PRO A 9 0.786 -9.945 -11.131 1.00 0.00 C ATOM 0 HA PRO A 9 -1.108 -7.513 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.460 -7.475 -9.016 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.324 -8.731 -8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.543 -8.827 -10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.079 -10.036 -9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.334 -10.233 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.320 -10.849 -10.738 1.00 0.00 H new ATOM 97 N ARG A 10 -0.016 -5.363 -10.597 1.00 0.00 N ATOM 98 CA ARG A 10 0.417 -4.077 -11.129 1.00 0.00 C ATOM 99 C ARG A 10 1.612 -3.539 -10.346 1.00 0.00 C ATOM 100 O ARG A 10 1.767 -3.823 -9.158 1.00 0.00 O ATOM 101 CB ARG A 10 -0.732 -3.068 -11.082 1.00 0.00 C ATOM 102 CG ARG A 10 -1.587 -3.060 -12.338 1.00 0.00 C ATOM 103 CD ARG A 10 -2.319 -1.737 -12.506 1.00 0.00 C ATOM 104 NE ARG A 10 -3.390 -1.826 -13.495 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.381 -0.946 -13.585 1.00 0.00 C ATOM 106 NH1 ARG A 10 -4.438 0.082 -12.750 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.319 -1.094 -14.512 1.00 0.00 N ATOM 0 H ARG A 10 -0.653 -5.299 -9.803 1.00 0.00 H new ATOM 0 HA ARG A 10 0.720 -4.225 -12.166 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.365 -3.291 -10.223 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.322 -2.070 -10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.957 -3.242 -13.209 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.310 -3.874 -12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.736 -1.429 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.610 -0.966 -12.808 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.376 -2.606 -14.152 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.719 0.199 -12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.200 0.756 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.279 -1.884 -15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.080 -0.418 -14.580 1.00 0.00 H new ATOM 121 N LEU A 11 2.453 -2.763 -11.020 1.00 0.00 N ATOM 122 CA LEU A 11 3.635 -2.186 -10.389 1.00 0.00 C ATOM 123 C LEU A 11 3.353 -0.770 -9.897 1.00 0.00 C ATOM 124 O LEU A 11 3.316 0.175 -10.685 1.00 0.00 O ATOM 125 CB LEU A 11 4.807 -2.173 -11.371 1.00 0.00 C ATOM 126 CG LEU A 11 6.193 -1.963 -10.760 1.00 0.00 C ATOM 127 CD1 LEU A 11 6.276 -0.605 -10.081 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.515 -3.075 -9.772 1.00 0.00 C ATOM 0 H LEU A 11 2.339 -2.519 -12.004 1.00 0.00 H new ATOM 0 HA LEU A 11 3.896 -2.804 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.811 -3.118 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.632 -1.385 -12.104 1.00 0.00 H new ATOM 0 HG LEU A 11 6.931 -1.992 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.269 -0.473 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.090 0.180 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.528 -0.547 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.505 -2.909 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.773 -3.078 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.498 -4.036 -10.287 1.00 0.00 H new ATOM 140 N CYS A 12 3.157 -0.632 -8.591 1.00 0.00 N ATOM 141 CA CYS A 12 2.879 0.670 -7.993 1.00 0.00 C ATOM 142 C CYS A 12 4.174 1.375 -7.602 1.00 0.00 C ATOM 143 O CYS A 12 4.755 1.092 -6.554 1.00 0.00 O ATOM 144 CB CYS A 12 1.981 0.510 -6.766 1.00 0.00 C ATOM 145 SG CYS A 12 0.309 -0.065 -7.146 1.00 0.00 S ATOM 0 H CYS A 12 3.185 -1.405 -7.926 1.00 0.00 H new ATOM 0 HA CYS A 12 2.363 1.280 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.448 -0.193 -6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.916 1.467 -6.249 1.00 0.00 H new ATOM 0 HG CYS A 12 0.354 -1.305 -7.533 1.00 0.00 H new ATOM 151 N TYR A 13 4.621 2.294 -8.451 1.00 0.00 N ATOM 152 CA TYR A 13 5.849 3.037 -8.196 1.00 0.00 C ATOM 153 C TYR A 13 5.569 4.281 -7.358 1.00 0.00 C ATOM 154 O TYR A 13 4.814 5.164 -7.769 1.00 0.00 O ATOM 155 CB TYR A 13 6.512 3.436 -9.515 1.00 0.00 C ATOM 156 CG TYR A 13 8.021 3.493 -9.442 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.781 2.329 -9.445 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.687 4.710 -9.369 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.160 2.376 -9.377 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.066 4.766 -9.302 1.00 0.00 C ATOM 161 CZ TYR A 13 10.798 3.597 -9.307 1.00 0.00 C ATOM 162 OH TYR A 13 12.171 3.649 -9.239 1.00 0.00 O ATOM 0 H TYR A 13 4.151 2.542 -9.322 1.00 0.00 H new ATOM 0 HA TYR A 13 6.526 2.390 -7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.221 2.725 -10.288 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.134 4.412 -9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.285 1.371 -9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.117 5.628 -9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.735 1.462 -9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.568 5.720 -9.246 1.00 0.00 H new ATOM 0 HH TYR A 13 12.461 4.584 -9.196 1.00 0.00 H new ATOM 172 N LEU A 14 6.183 4.344 -6.182 1.00 0.00 N ATOM 173 CA LEU A 14 6.002 5.480 -5.285 1.00 0.00 C ATOM 174 C LEU A 14 7.139 6.485 -5.442 1.00 0.00 C ATOM 175 O LEU A 14 8.274 6.112 -5.740 1.00 0.00 O ATOM 176 CB LEU A 14 5.926 5.002 -3.834 1.00 0.00 C ATOM 177 CG LEU A 14 4.529 4.664 -3.312 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.716 5.932 -3.102 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.814 3.722 -4.270 1.00 0.00 C ATOM 0 H LEU A 14 6.810 3.622 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 14 5.067 5.974 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.555 4.118 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.354 5.774 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 14 4.634 4.161 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.725 5.671 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.219 6.571 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.620 6.464 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.822 3.493 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.721 4.198 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.387 2.800 -4.369 1.00 0.00 H new ATOM 191 N VAL A 15 6.828 7.761 -5.236 1.00 0.00 N ATOM 192 CA VAL A 15 7.824 8.819 -5.351 1.00 0.00 C ATOM 193 C VAL A 15 7.657 9.853 -4.244 1.00 0.00 C ATOM 194 O VAL A 15 6.664 10.579 -4.201 1.00 0.00 O ATOM 195 CB VAL A 15 7.736 9.526 -6.717 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.837 10.568 -6.851 1.00 0.00 C ATOM 197 CG2 VAL A 15 7.810 8.512 -7.848 1.00 0.00 C ATOM 0 H VAL A 15 5.894 8.087 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 15 8.801 8.346 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 15 6.775 10.037 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.759 11.057 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.732 11.312 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.809 10.083 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.746 9.029 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.754 7.971 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.982 7.808 -7.760 1.00 0.00 H new ATOM 207 N LYS A 16 8.637 9.916 -3.348 1.00 0.00 N ATOM 208 CA LYS A 16 8.601 10.863 -2.240 1.00 0.00 C ATOM 209 C LYS A 16 8.385 12.285 -2.746 1.00 0.00 C ATOM 210 O LYS A 16 9.227 12.836 -3.455 1.00 0.00 O ATOM 211 CB LYS A 16 9.902 10.788 -1.437 1.00 0.00 C ATOM 212 CG LYS A 16 9.985 9.577 -0.524 1.00 0.00 C ATOM 213 CD LYS A 16 11.270 9.576 0.286 1.00 0.00 C ATOM 214 CE LYS A 16 11.086 8.874 1.622 1.00 0.00 C ATOM 215 NZ LYS A 16 10.580 9.801 2.672 1.00 0.00 N ATOM 0 H LYS A 16 9.466 9.322 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 16 7.765 10.596 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.745 10.770 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.001 11.692 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.129 9.569 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.929 8.666 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.058 9.081 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.596 10.602 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.389 8.045 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.037 8.448 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.468 9.284 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.257 10.579 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.660 10.189 2.379 1.00 0.00 H new ATOM 229 N GLU A 17 7.252 12.874 -2.376 1.00 0.00 N ATOM 230 CA GLU A 17 6.926 14.233 -2.793 1.00 0.00 C ATOM 231 C GLU A 17 6.819 15.161 -1.587 1.00 0.00 C ATOM 232 O GLU A 17 7.500 16.183 -1.513 1.00 0.00 O ATOM 233 CB GLU A 17 5.615 14.248 -3.581 1.00 0.00 C ATOM 234 CG GLU A 17 5.785 13.911 -5.053 1.00 0.00 C ATOM 235 CD GLU A 17 6.731 14.859 -5.764 1.00 0.00 C ATOM 236 OE1 GLU A 17 7.947 14.576 -5.787 1.00 0.00 O ATOM 237 OE2 GLU A 17 6.256 15.884 -6.295 1.00 0.00 O ATOM 0 H GLU A 17 6.545 12.432 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 17 7.731 14.592 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.923 13.536 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.159 15.234 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.159 12.892 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.812 13.940 -5.543 1.00 0.00 H new ATOM 244 N GLY A 18 5.955 14.798 -0.643 1.00 0.00 N ATOM 245 CA GLY A 18 5.773 15.608 0.547 1.00 0.00 C ATOM 246 C GLY A 18 5.918 14.804 1.824 1.00 0.00 C ATOM 247 O GLY A 18 5.176 13.849 2.052 1.00 0.00 O ATOM 0 H GLY A 18 5.378 13.958 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.503 16.418 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.785 16.069 0.522 1.00 0.00 H new ATOM 251 N GLY A 19 6.878 15.190 2.659 1.00 0.00 N ATOM 252 CA GLY A 19 7.101 14.486 3.908 1.00 0.00 C ATOM 253 C GLY A 19 6.839 12.998 3.790 1.00 0.00 C ATOM 254 O GLY A 19 7.659 12.258 3.246 1.00 0.00 O ATOM 0 H GLY A 19 7.505 15.977 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.129 14.646 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.454 14.906 4.678 1.00 0.00 H new ATOM 258 N SER A 20 5.695 12.558 4.303 1.00 0.00 N ATOM 259 CA SER A 20 5.329 11.147 4.257 1.00 0.00 C ATOM 260 C SER A 20 4.686 10.795 2.919 1.00 0.00 C ATOM 261 O SER A 20 4.048 11.635 2.284 1.00 0.00 O ATOM 262 CB SER A 20 4.371 10.809 5.401 1.00 0.00 C ATOM 263 OG SER A 20 5.014 10.929 6.658 1.00 0.00 O ATOM 0 H SER A 20 5.005 13.158 4.755 1.00 0.00 H new ATOM 0 HA SER A 20 6.239 10.558 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.508 11.474 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.995 9.793 5.277 1.00 0.00 H new ATOM 0 HG SER A 20 4.380 10.709 7.372 1.00 0.00 H new ATOM 269 N TYR A 21 4.859 9.547 2.497 1.00 0.00 N ATOM 270 CA TYR A 21 4.298 9.083 1.234 1.00 0.00 C ATOM 271 C TYR A 21 2.811 9.409 1.146 1.00 0.00 C ATOM 272 O TYR A 21 2.403 10.313 0.418 1.00 0.00 O ATOM 273 CB TYR A 21 4.512 7.577 1.079 1.00 0.00 C ATOM 274 CG TYR A 21 5.923 7.203 0.685 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.322 7.224 -0.646 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.857 6.827 1.643 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.610 6.882 -1.011 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.147 6.485 1.287 1.00 0.00 C ATOM 279 CZ TYR A 21 8.519 6.514 -0.041 1.00 0.00 C ATOM 280 OH TYR A 21 9.803 6.173 -0.400 1.00 0.00 O ATOM 0 H TYR A 21 5.383 8.839 3.011 1.00 0.00 H new ATOM 0 HA TYR A 21 4.813 9.601 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.264 7.085 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.821 7.196 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.613 7.513 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.569 6.802 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.903 6.903 -2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.861 6.196 2.044 1.00 0.00 H new ATOM 0 HH TYR A 21 10.316 5.940 0.402 1.00 0.00 H new ATOM 290 N GLY A 22 2.003 8.664 1.895 1.00 0.00 N ATOM 291 CA GLY A 22 0.569 8.888 1.888 1.00 0.00 C ATOM 292 C GLY A 22 -0.208 7.683 2.382 1.00 0.00 C ATOM 293 O GLY A 22 -1.120 7.816 3.198 1.00 0.00 O ATOM 0 H GLY A 22 2.316 7.910 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.336 9.749 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.248 9.134 0.876 1.00 0.00 H new ATOM 297 N PHE A 23 0.153 6.505 1.886 1.00 0.00 N ATOM 298 CA PHE A 23 -0.519 5.272 2.280 1.00 0.00 C ATOM 299 C PHE A 23 -0.183 4.907 3.724 1.00 0.00 C ATOM 300 O PHE A 23 0.692 5.513 4.341 1.00 0.00 O ATOM 301 CB PHE A 23 -0.118 4.127 1.347 1.00 0.00 C ATOM 302 CG PHE A 23 1.353 3.825 1.366 1.00 0.00 C ATOM 303 CD1 PHE A 23 1.892 3.003 2.342 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.196 4.364 0.407 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.246 2.722 2.361 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.550 4.087 0.422 1.00 0.00 C ATOM 307 CZ PHE A 23 4.076 3.266 1.401 1.00 0.00 C ATOM 0 H PHE A 23 0.907 6.378 1.211 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.594 5.434 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.669 3.230 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.416 4.377 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.248 2.577 3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.791 5.007 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.654 2.078 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.197 4.512 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.134 3.050 1.415 1.00 0.00 H new ATOM 317 N SER A 24 -0.887 3.912 4.255 1.00 0.00 N ATOM 318 CA SER A 24 -0.668 3.469 5.627 1.00 0.00 C ATOM 319 C SER A 24 -0.537 1.950 5.692 1.00 0.00 C ATOM 320 O SER A 24 -1.240 1.223 4.989 1.00 0.00 O ATOM 321 CB SER A 24 -1.817 3.932 6.524 1.00 0.00 C ATOM 322 OG SER A 24 -1.879 5.346 6.585 1.00 0.00 O ATOM 0 H SER A 24 -1.613 3.398 3.756 1.00 0.00 H new ATOM 0 HA SER A 24 0.262 3.912 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.760 3.540 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.685 3.527 7.527 1.00 0.00 H new ATOM 0 HG SER A 24 -2.623 5.616 7.163 1.00 0.00 H new ATOM 328 N LEU A 25 0.369 1.477 6.541 1.00 0.00 N ATOM 329 CA LEU A 25 0.594 0.045 6.700 1.00 0.00 C ATOM 330 C LEU A 25 0.183 -0.420 8.093 1.00 0.00 C ATOM 331 O LEU A 25 0.505 0.221 9.094 1.00 0.00 O ATOM 332 CB LEU A 25 2.066 -0.291 6.452 1.00 0.00 C ATOM 333 CG LEU A 25 2.633 0.139 5.099 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.154 0.143 5.135 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.126 -0.775 3.993 1.00 0.00 C ATOM 0 H LEU A 25 0.960 2.064 7.130 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.020 -0.477 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.662 0.174 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.194 -1.369 6.551 1.00 0.00 H new ATOM 0 HG LEU A 25 2.292 1.153 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.540 0.452 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.498 0.839 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.515 -0.859 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.540 -0.454 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.437 -1.800 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.038 -0.727 3.952 1.00 0.00 H new ATOM 347 N LYS A 26 -0.530 -1.540 8.152 1.00 0.00 N ATOM 348 CA LYS A 26 -0.983 -2.094 9.422 1.00 0.00 C ATOM 349 C LYS A 26 -1.104 -3.613 9.341 1.00 0.00 C ATOM 350 O LYS A 26 -1.733 -4.148 8.428 1.00 0.00 O ATOM 351 CB LYS A 26 -2.330 -1.485 9.816 1.00 0.00 C ATOM 352 CG LYS A 26 -3.497 -2.010 8.997 1.00 0.00 C ATOM 353 CD LYS A 26 -4.810 -1.375 9.427 1.00 0.00 C ATOM 354 CE LYS A 26 -5.998 -2.254 9.067 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.334 -3.207 10.161 1.00 0.00 N ATOM 0 H LYS A 26 -0.807 -2.082 7.334 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.243 -1.846 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.517 -1.688 10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.276 -0.402 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.322 -1.807 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.562 -3.093 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.797 -1.202 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.918 -0.401 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.863 -1.626 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.776 -2.810 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.149 -3.788 9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.517 -3.823 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.571 -2.676 11.023 1.00 0.00 H new ATOM 369 N THR A 27 -0.497 -4.302 10.302 1.00 0.00 N ATOM 370 CA THR A 27 -0.537 -5.759 10.340 1.00 0.00 C ATOM 371 C THR A 27 -1.853 -6.258 10.927 1.00 0.00 C ATOM 372 O THR A 27 -2.408 -5.646 11.840 1.00 0.00 O ATOM 373 CB THR A 27 0.630 -6.332 11.165 1.00 0.00 C ATOM 374 OG1 THR A 27 0.715 -5.659 12.427 1.00 0.00 O ATOM 375 CG2 THR A 27 1.946 -6.184 10.417 1.00 0.00 C ATOM 0 H THR A 27 0.028 -3.875 11.065 1.00 0.00 H new ATOM 0 HA THR A 27 -0.448 -6.104 9.310 1.00 0.00 H new ATOM 0 HB THR A 27 0.442 -7.393 11.331 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.458 -6.030 12.946 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.755 -6.596 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.889 -6.721 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.138 -5.129 10.224 1.00 0.00 H new ATOM 383 N VAL A 28 -2.346 -7.373 10.398 1.00 0.00 N ATOM 384 CA VAL A 28 -3.596 -7.955 10.871 1.00 0.00 C ATOM 385 C VAL A 28 -3.342 -9.229 11.669 1.00 0.00 C ATOM 386 O VAL A 28 -2.358 -9.931 11.437 1.00 0.00 O ATOM 387 CB VAL A 28 -4.544 -8.276 9.701 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.652 -9.216 10.152 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.125 -6.996 9.119 1.00 0.00 C ATOM 0 H VAL A 28 -1.899 -7.891 9.642 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.066 -7.213 11.516 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.971 -8.776 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.311 -9.431 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.215 -10.145 10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.225 -8.746 10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.793 -7.242 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.683 -6.466 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.316 -6.362 8.755 1.00 0.00 H new ATOM 467 N GLY A 33 1.089 -11.040 6.360 1.00 0.00 N ATOM 468 CA GLY A 33 1.656 -10.052 5.461 1.00 0.00 C ATOM 469 C GLY A 33 0.984 -8.699 5.588 1.00 0.00 C ATOM 470 O GLY A 33 -0.207 -8.615 5.890 1.00 0.00 O ATOM 0 HA2 GLY A 33 2.721 -9.946 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.564 -10.405 4.434 1.00 0.00 H new ATOM 474 N VAL A 34 1.749 -7.636 5.360 1.00 0.00 N ATOM 475 CA VAL A 34 1.221 -6.280 5.452 1.00 0.00 C ATOM 476 C VAL A 34 0.651 -5.821 4.114 1.00 0.00 C ATOM 477 O VAL A 34 1.014 -6.343 3.060 1.00 0.00 O ATOM 478 CB VAL A 34 2.306 -5.285 5.904 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.825 -5.652 7.285 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.441 -5.239 4.892 1.00 0.00 C ATOM 0 H VAL A 34 2.737 -7.688 5.110 1.00 0.00 H new ATOM 0 HA VAL A 34 0.424 -6.300 6.196 1.00 0.00 H new ATOM 0 HB VAL A 34 1.862 -4.291 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.591 -4.938 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.003 -5.628 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.254 -6.654 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.199 -4.531 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.886 -6.230 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.053 -4.923 3.924 1.00 0.00 H new ATOM 490 N TYR A 35 -0.245 -4.841 4.164 1.00 0.00 N ATOM 491 CA TYR A 35 -0.867 -4.312 2.957 1.00 0.00 C ATOM 492 C TYR A 35 -1.387 -2.896 3.187 1.00 0.00 C ATOM 493 O TYR A 35 -1.390 -2.400 4.313 1.00 0.00 O ATOM 494 CB TYR A 35 -2.013 -5.221 2.508 1.00 0.00 C ATOM 495 CG TYR A 35 -3.089 -5.400 3.554 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.886 -4.333 3.949 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.311 -6.637 4.147 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.870 -4.491 4.905 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.294 -6.805 5.103 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.070 -5.729 5.479 1.00 0.00 C ATOM 501 OH TYR A 35 -6.051 -5.892 6.431 1.00 0.00 O ATOM 0 H TYR A 35 -0.556 -4.397 5.028 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.110 -4.279 2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.461 -4.807 1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.608 -6.198 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.733 -3.362 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.705 -7.482 3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.479 -3.650 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.454 -7.774 5.553 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.608 -6.664 6.198 1.00 0.00 H new ATOM 511 N MET A 36 -1.827 -2.252 2.111 1.00 0.00 N ATOM 512 CA MET A 36 -2.351 -0.894 2.195 1.00 0.00 C ATOM 513 C MET A 36 -3.742 -0.886 2.823 1.00 0.00 C ATOM 514 O MET A 36 -4.626 -1.637 2.409 1.00 0.00 O ATOM 515 CB MET A 36 -2.403 -0.257 0.805 1.00 0.00 C ATOM 516 CG MET A 36 -1.092 -0.355 0.043 1.00 0.00 C ATOM 517 SD MET A 36 0.228 0.608 0.805 1.00 0.00 S ATOM 518 CE MET A 36 1.482 0.535 -0.472 1.00 0.00 C ATOM 0 H MET A 36 -1.831 -2.649 1.171 1.00 0.00 H new ATOM 0 HA MET A 36 -1.682 -0.312 2.828 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.189 -0.738 0.223 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.678 0.793 0.905 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.787 -1.400 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.244 -0.010 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.418 0.178 -0.043 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.160 -0.147 -1.259 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.632 1.530 -0.892 1.00 0.00 H new ATOM 528 N THR A 37 -3.929 -0.032 3.825 1.00 0.00 N ATOM 529 CA THR A 37 -5.211 0.072 4.510 1.00 0.00 C ATOM 530 C THR A 37 -5.851 1.435 4.274 1.00 0.00 C ATOM 531 O THR A 37 -7.053 1.532 4.024 1.00 0.00 O ATOM 532 CB THR A 37 -5.057 -0.154 6.026 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.336 -0.071 6.666 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.113 0.872 6.633 1.00 0.00 C ATOM 0 H THR A 37 -3.209 0.597 4.180 1.00 0.00 H new ATOM 0 HA THR A 37 -5.854 -0.705 4.097 1.00 0.00 H new ATOM 0 HB THR A 37 -4.637 -1.148 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.279 0.537 7.433 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.020 0.692 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.133 0.786 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.509 1.874 6.466 1.00 0.00 H new ATOM 542 N ASP A 38 -5.042 2.486 4.353 1.00 0.00 N ATOM 543 CA ASP A 38 -5.531 3.844 4.146 1.00 0.00 C ATOM 544 C ASP A 38 -4.806 4.509 2.980 1.00 0.00 C ATOM 545 O ASP A 38 -3.598 4.743 3.039 1.00 0.00 O ATOM 546 CB ASP A 38 -5.347 4.674 5.417 1.00 0.00 C ATOM 547 CG ASP A 38 -6.069 6.006 5.348 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.212 6.035 4.845 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.491 7.018 5.796 1.00 0.00 O ATOM 0 H ASP A 38 -4.045 2.423 4.559 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.593 3.790 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.715 4.109 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.284 4.848 5.583 1.00 0.00 H new ATOM 554 N ILE A 39 -5.551 4.811 1.922 1.00 0.00 N ATOM 555 CA ILE A 39 -4.979 5.449 0.742 1.00 0.00 C ATOM 556 C ILE A 39 -5.311 6.938 0.708 1.00 0.00 C ATOM 557 O ILE A 39 -6.467 7.324 0.538 1.00 0.00 O ATOM 558 CB ILE A 39 -5.486 4.792 -0.555 1.00 0.00 C ATOM 559 CG1 ILE A 39 -5.156 3.298 -0.558 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.877 5.477 -1.769 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.675 3.006 -0.457 1.00 0.00 C ATOM 0 H ILE A 39 -6.552 4.624 1.857 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.898 5.321 0.806 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.569 4.906 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.670 2.819 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.545 2.850 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.245 5.001 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.158 6.530 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.791 5.391 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.515 1.928 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.157 3.456 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.284 3.424 0.471 1.00 0.00 H new ATOM 573 N THR A 40 -4.286 7.770 0.869 1.00 0.00 N ATOM 574 CA THR A 40 -4.468 9.216 0.856 1.00 0.00 C ATOM 575 C THR A 40 -4.909 9.702 -0.520 1.00 0.00 C ATOM 576 O THR A 40 -4.239 9.477 -1.529 1.00 0.00 O ATOM 577 CB THR A 40 -3.173 9.948 1.256 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.891 9.723 2.642 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.293 11.442 0.994 1.00 0.00 C ATOM 0 H THR A 40 -3.322 7.467 1.010 1.00 0.00 H new ATOM 0 HA THR A 40 -5.246 9.444 1.585 1.00 0.00 H new ATOM 0 HB THR A 40 -2.357 9.553 0.651 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.429 8.865 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.367 11.938 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.479 11.612 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.120 11.848 1.577 1.00 0.00 H new ATOM 587 N PRO A 41 -6.061 10.387 -0.565 1.00 0.00 N ATOM 588 CA PRO A 41 -6.617 10.920 -1.813 1.00 0.00 C ATOM 589 C PRO A 41 -5.793 12.079 -2.365 1.00 0.00 C ATOM 590 O PRO A 41 -5.360 12.955 -1.617 1.00 0.00 O ATOM 591 CB PRO A 41 -8.010 11.402 -1.403 1.00 0.00 C ATOM 592 CG PRO A 41 -7.899 11.688 0.055 1.00 0.00 C ATOM 593 CD PRO A 41 -6.911 10.693 0.598 1.00 0.00 C ATOM 0 HA PRO A 41 -6.626 10.174 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.300 12.293 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.766 10.642 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.559 12.709 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.866 11.586 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.331 11.111 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.407 9.801 0.979 1.00 0.00 H new ATOM 601 N GLN A 42 -5.582 12.077 -3.677 1.00 0.00 N ATOM 602 CA GLN A 42 -4.810 13.129 -4.328 1.00 0.00 C ATOM 603 C GLN A 42 -3.429 13.261 -3.696 1.00 0.00 C ATOM 604 O GLN A 42 -2.866 14.353 -3.631 1.00 0.00 O ATOM 605 CB GLN A 42 -5.553 14.463 -4.241 1.00 0.00 C ATOM 606 CG GLN A 42 -5.285 15.387 -5.419 1.00 0.00 C ATOM 607 CD GLN A 42 -6.224 15.137 -6.582 1.00 0.00 C ATOM 608 OE1 GLN A 42 -5.897 14.398 -7.511 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.399 15.753 -6.537 1.00 0.00 N ATOM 0 H GLN A 42 -5.935 11.359 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.685 12.858 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.624 14.270 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.266 14.970 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.384 16.423 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.256 15.255 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.628 16.357 -5.748 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.072 15.623 -7.292 1.00 0.00 H new ATOM 618 N GLY A 43 -2.887 12.140 -3.229 1.00 0.00 N ATOM 619 CA GLY A 43 -1.576 12.152 -2.607 1.00 0.00 C ATOM 620 C GLY A 43 -0.538 11.413 -3.429 1.00 0.00 C ATOM 621 O GLY A 43 -0.649 11.328 -4.652 1.00 0.00 O ATOM 0 H GLY A 43 -3.333 11.224 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.255 13.184 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.642 11.698 -1.618 1.00 0.00 H new ATOM 625 N VAL A 44 0.476 10.877 -2.755 1.00 0.00 N ATOM 626 CA VAL A 44 1.538 10.142 -3.431 1.00 0.00 C ATOM 627 C VAL A 44 1.088 8.730 -3.788 1.00 0.00 C ATOM 628 O VAL A 44 1.339 8.249 -4.893 1.00 0.00 O ATOM 629 CB VAL A 44 2.805 10.060 -2.559 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.889 9.260 -3.266 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.302 11.454 -2.208 1.00 0.00 C ATOM 0 H VAL A 44 0.584 10.938 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 44 1.769 10.688 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 44 2.554 9.545 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.776 9.213 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.528 8.250 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.141 9.743 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.198 11.376 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.537 11.998 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.528 11.988 -1.657 1.00 0.00 H new ATOM 641 N ALA A 45 0.421 8.071 -2.847 1.00 0.00 N ATOM 642 CA ALA A 45 -0.067 6.715 -3.063 1.00 0.00 C ATOM 643 C ALA A 45 -1.108 6.677 -4.177 1.00 0.00 C ATOM 644 O ALA A 45 -0.842 6.179 -5.270 1.00 0.00 O ATOM 645 CB ALA A 45 -0.648 6.151 -1.775 1.00 0.00 C ATOM 0 H ALA A 45 0.206 8.455 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 45 0.777 6.096 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.009 5.138 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.124 6.133 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.476 6.778 -1.444 1.00 0.00 H new ATOM 651 N MET A 46 -2.293 7.207 -3.891 1.00 0.00 N ATOM 652 CA MET A 46 -3.373 7.234 -4.870 1.00 0.00 C ATOM 653 C MET A 46 -2.844 7.597 -6.254 1.00 0.00 C ATOM 654 O MET A 46 -3.378 7.151 -7.270 1.00 0.00 O ATOM 655 CB MET A 46 -4.451 8.233 -4.444 1.00 0.00 C ATOM 656 CG MET A 46 -5.716 8.156 -5.283 1.00 0.00 C ATOM 657 SD MET A 46 -6.705 6.694 -4.917 1.00 0.00 S ATOM 658 CE MET A 46 -7.829 7.346 -3.683 1.00 0.00 C ATOM 0 H MET A 46 -2.529 7.623 -2.990 1.00 0.00 H new ATOM 0 HA MET A 46 -3.811 6.237 -4.919 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.706 8.056 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.044 9.242 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.317 9.049 -5.110 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.447 8.153 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.507 6.558 -3.356 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.259 7.712 -2.829 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.405 8.166 -4.112 1.00 0.00 H new ATOM 668 N ARG A 47 -1.794 8.411 -6.286 1.00 0.00 N ATOM 669 CA ARG A 47 -1.195 8.835 -7.545 1.00 0.00 C ATOM 670 C ARG A 47 -0.423 7.690 -8.194 1.00 0.00 C ATOM 671 O ARG A 47 -0.480 7.499 -9.409 1.00 0.00 O ATOM 672 CB ARG A 47 -0.262 10.026 -7.315 1.00 0.00 C ATOM 673 CG ARG A 47 0.321 10.599 -8.596 1.00 0.00 C ATOM 674 CD ARG A 47 1.615 9.900 -8.981 1.00 0.00 C ATOM 675 NE ARG A 47 2.359 10.643 -9.994 1.00 0.00 N ATOM 676 CZ ARG A 47 3.672 10.536 -10.169 1.00 0.00 C ATOM 677 NH1 ARG A 47 4.381 9.719 -9.402 1.00 0.00 N ATOM 678 NH2 ARG A 47 4.277 11.246 -11.112 1.00 0.00 N ATOM 0 H ARG A 47 -1.341 8.790 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.999 9.135 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.810 10.810 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.553 9.717 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.403 10.497 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.507 11.665 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.237 9.774 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.390 8.902 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 47 1.842 11.279 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.919 9.171 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.389 9.638 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.734 11.875 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.285 11.163 -11.245 1.00 0.00 H new ATOM 692 N ALA A 48 0.297 6.930 -7.375 1.00 0.00 N ATOM 693 CA ALA A 48 1.078 5.802 -7.869 1.00 0.00 C ATOM 694 C ALA A 48 0.174 4.725 -8.460 1.00 0.00 C ATOM 695 O ALA A 48 0.633 3.849 -9.192 1.00 0.00 O ATOM 696 CB ALA A 48 1.932 5.222 -6.751 1.00 0.00 C ATOM 0 H ALA A 48 0.356 7.075 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 48 1.733 6.164 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.510 4.381 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.611 5.988 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.288 4.881 -5.941 1.00 0.00 H new ATOM 702 N GLY A 49 -1.114 4.796 -8.136 1.00 0.00 N ATOM 703 CA GLY A 49 -2.061 3.821 -8.644 1.00 0.00 C ATOM 704 C GLY A 49 -2.293 2.680 -7.673 1.00 0.00 C ATOM 705 O GLY A 49 -2.634 1.569 -8.080 1.00 0.00 O ATOM 0 H GLY A 49 -1.518 5.511 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.010 4.315 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.695 3.421 -9.589 1.00 0.00 H new ATOM 709 N VAL A 50 -2.108 2.953 -6.385 1.00 0.00 N ATOM 710 CA VAL A 50 -2.300 1.941 -5.354 1.00 0.00 C ATOM 711 C VAL A 50 -3.610 2.159 -4.606 1.00 0.00 C ATOM 712 O VAL A 50 -3.924 3.278 -4.195 1.00 0.00 O ATOM 713 CB VAL A 50 -1.137 1.943 -4.343 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.051 3.284 -3.631 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.300 0.808 -3.343 1.00 0.00 C ATOM 0 H VAL A 50 -1.825 3.867 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.331 0.976 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.205 1.787 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.224 3.267 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.884 4.074 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.983 3.473 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.470 0.824 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.239 0.931 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.308 -0.145 -3.872 1.00 0.00 H new ATOM 725 N LEU A 51 -4.371 1.085 -4.431 1.00 0.00 N ATOM 726 CA LEU A 51 -5.649 1.158 -3.730 1.00 0.00 C ATOM 727 C LEU A 51 -5.631 0.295 -2.473 1.00 0.00 C ATOM 728 O LEU A 51 -4.935 -0.718 -2.413 1.00 0.00 O ATOM 729 CB LEU A 51 -6.784 0.712 -4.653 1.00 0.00 C ATOM 730 CG LEU A 51 -6.561 -0.599 -5.407 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.077 -1.777 -4.594 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.236 -0.553 -6.770 1.00 0.00 C ATOM 0 H LEU A 51 -4.126 0.153 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.815 2.194 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.692 0.616 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.963 1.502 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.490 -0.730 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.910 -2.702 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.547 -1.822 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.144 -1.652 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.066 -1.495 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.307 -0.398 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.819 0.266 -7.355 1.00 0.00 H new ATOM 744 N ALA A 52 -6.403 0.703 -1.471 1.00 0.00 N ATOM 745 CA ALA A 52 -6.479 -0.035 -0.216 1.00 0.00 C ATOM 746 C ALA A 52 -6.930 -1.473 -0.452 1.00 0.00 C ATOM 747 O ALA A 52 -7.614 -1.767 -1.432 1.00 0.00 O ATOM 748 CB ALA A 52 -7.423 0.664 0.751 1.00 0.00 C ATOM 0 H ALA A 52 -6.984 1.540 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.482 -0.062 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.470 0.102 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.058 1.671 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.419 0.720 0.311 1.00 0.00 H new ATOM 754 N ASP A 53 -6.542 -2.365 0.453 1.00 0.00 N ATOM 755 CA ASP A 53 -6.906 -3.773 0.344 1.00 0.00 C ATOM 756 C ASP A 53 -6.104 -4.458 -0.758 1.00 0.00 C ATOM 757 O ASP A 53 -6.653 -5.216 -1.559 1.00 0.00 O ATOM 758 CB ASP A 53 -8.404 -3.914 0.065 1.00 0.00 C ATOM 759 CG ASP A 53 -8.981 -5.193 0.638 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.702 -6.274 0.077 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.712 -5.114 1.647 1.00 0.00 O ATOM 0 H ASP A 53 -5.975 -2.138 1.270 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.673 -4.258 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.932 -3.059 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.574 -3.892 -1.011 1.00 0.00 H new ATOM 766 N ASP A 54 -4.805 -4.186 -0.793 1.00 0.00 N ATOM 767 CA ASP A 54 -3.927 -4.776 -1.797 1.00 0.00 C ATOM 768 C ASP A 54 -2.708 -5.420 -1.143 1.00 0.00 C ATOM 769 O ASP A 54 -1.786 -4.729 -0.709 1.00 0.00 O ATOM 770 CB ASP A 54 -3.479 -3.714 -2.802 1.00 0.00 C ATOM 771 CG ASP A 54 -4.423 -3.600 -3.983 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.356 -4.425 -4.079 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.230 -2.686 -4.811 1.00 0.00 O ATOM 0 H ASP A 54 -4.336 -3.561 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.487 -5.550 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.411 -2.749 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.479 -3.957 -3.162 1.00 0.00 H new ATOM 778 N HIS A 55 -2.712 -6.748 -1.074 1.00 0.00 N ATOM 779 CA HIS A 55 -1.607 -7.485 -0.472 1.00 0.00 C ATOM 780 C HIS A 55 -0.287 -7.141 -1.156 1.00 0.00 C ATOM 781 O HIS A 55 -0.161 -7.252 -2.376 1.00 0.00 O ATOM 782 CB HIS A 55 -1.863 -8.990 -0.559 1.00 0.00 C ATOM 783 CG HIS A 55 -0.732 -9.821 -0.037 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.429 -11.074 -0.527 1.00 0.00 N ATOM 785 CD2 HIS A 55 0.174 -9.571 0.938 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.612 -11.560 0.125 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.998 -10.667 1.019 1.00 0.00 N ATOM 0 H HIS A 55 -3.468 -7.335 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.538 -7.196 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.767 -9.229 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.051 -9.259 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.237 -8.676 1.540 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.070 -12.523 -0.044 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.781 -10.774 1.664 1.00 0.00 H new ATOM 796 N LEU A 56 0.692 -6.721 -0.363 1.00 0.00 N ATOM 797 CA LEU A 56 2.003 -6.360 -0.892 1.00 0.00 C ATOM 798 C LEU A 56 2.783 -7.602 -1.311 1.00 0.00 C ATOM 799 O LEU A 56 3.359 -8.297 -0.473 1.00 0.00 O ATOM 800 CB LEU A 56 2.797 -5.573 0.153 1.00 0.00 C ATOM 801 CG LEU A 56 2.792 -4.052 -0.006 1.00 0.00 C ATOM 802 CD1 LEU A 56 1.387 -3.501 0.175 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.751 -3.410 0.985 1.00 0.00 C ATOM 0 H LEU A 56 0.603 -6.622 0.648 1.00 0.00 H new ATOM 0 HA LEU A 56 1.853 -5.735 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.402 -5.816 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.831 -5.917 0.130 1.00 0.00 H new ATOM 0 HG LEU A 56 3.127 -3.810 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.403 -2.417 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.726 -3.937 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.023 -3.753 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.735 -2.328 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.446 -3.661 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.760 -3.781 0.807 1.00 0.00 H new ATOM 815 N ILE A 57 2.799 -7.874 -2.611 1.00 0.00 N ATOM 816 CA ILE A 57 3.511 -9.030 -3.141 1.00 0.00 C ATOM 817 C ILE A 57 5.018 -8.873 -2.971 1.00 0.00 C ATOM 818 O ILE A 57 5.731 -9.848 -2.737 1.00 0.00 O ATOM 819 CB ILE A 57 3.194 -9.252 -4.632 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.681 -9.290 -4.854 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.840 -10.538 -5.125 1.00 0.00 C ATOM 822 CD1 ILE A 57 0.986 -10.398 -4.093 1.00 0.00 C ATOM 0 H ILE A 57 2.327 -7.309 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 57 3.172 -9.897 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 57 3.605 -8.420 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.254 -8.332 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.481 -9.411 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.607 -10.681 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.921 -10.474 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.456 -11.381 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.084 -10.364 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.386 -11.362 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.155 -10.267 -3.024 1.00 0.00 H new ATOM 834 N GLU A 58 5.496 -7.638 -3.087 1.00 0.00 N ATOM 835 CA GLU A 58 6.919 -7.353 -2.945 1.00 0.00 C ATOM 836 C GLU A 58 7.178 -5.849 -2.970 1.00 0.00 C ATOM 837 O GLU A 58 6.378 -5.079 -3.501 1.00 0.00 O ATOM 838 CB GLU A 58 7.712 -8.037 -4.060 1.00 0.00 C ATOM 839 CG GLU A 58 7.242 -7.667 -5.457 1.00 0.00 C ATOM 840 CD GLU A 58 8.216 -8.100 -6.535 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.855 -9.160 -6.366 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.340 -7.380 -7.547 1.00 0.00 O ATOM 0 H GLU A 58 4.919 -6.819 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 58 7.248 -7.745 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.765 -7.775 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.639 -9.117 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.272 -8.127 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.099 -6.588 -5.514 1.00 0.00 H new ATOM 849 N VAL A 59 8.302 -5.439 -2.391 1.00 0.00 N ATOM 850 CA VAL A 59 8.668 -4.028 -2.346 1.00 0.00 C ATOM 851 C VAL A 59 10.099 -3.817 -2.826 1.00 0.00 C ATOM 852 O VAL A 59 11.001 -4.576 -2.476 1.00 0.00 O ATOM 853 CB VAL A 59 8.525 -3.456 -0.923 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.167 -2.080 -0.834 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.060 -3.398 -0.517 1.00 0.00 C ATOM 0 H VAL A 59 8.975 -6.064 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 59 7.983 -3.501 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 59 9.044 -4.118 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.056 -1.692 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.226 -2.156 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.679 -1.405 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.978 -2.991 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.515 -2.759 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.636 -4.402 -0.539 1.00 0.00 H new ATOM 865 N ASN A 60 10.300 -2.778 -3.631 1.00 0.00 N ATOM 866 CA ASN A 60 11.623 -2.466 -4.160 1.00 0.00 C ATOM 867 C ASN A 60 12.283 -3.711 -4.744 1.00 0.00 C ATOM 868 O ASN A 60 13.508 -3.819 -4.778 1.00 0.00 O ATOM 869 CB ASN A 60 12.507 -1.873 -3.061 1.00 0.00 C ATOM 870 CG ASN A 60 13.547 -0.915 -3.610 1.00 0.00 C ATOM 871 OD1 ASN A 60 14.642 -1.325 -3.996 1.00 0.00 O ATOM 872 ND2 ASN A 60 13.208 0.368 -3.647 1.00 0.00 N ATOM 0 H ASN A 60 9.564 -2.139 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 60 11.505 -1.732 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.881 -1.350 -2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.007 -2.680 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.866 1.059 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.289 0.662 -3.316 1.00 0.00 H new ATOM 879 N GLY A 61 11.461 -4.650 -5.204 1.00 0.00 N ATOM 880 CA GLY A 61 11.983 -5.875 -5.781 1.00 0.00 C ATOM 881 C GLY A 61 12.395 -6.883 -4.727 1.00 0.00 C ATOM 882 O GLY A 61 13.557 -7.281 -4.660 1.00 0.00 O ATOM 0 H GLY A 61 10.443 -4.584 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.227 -6.319 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.842 -5.640 -6.410 1.00 0.00 H new ATOM 886 N GLU A 62 11.439 -7.295 -3.899 1.00 0.00 N ATOM 887 CA GLU A 62 11.711 -8.261 -2.841 1.00 0.00 C ATOM 888 C GLU A 62 10.415 -8.877 -2.321 1.00 0.00 C ATOM 889 O GLU A 62 9.577 -8.187 -1.742 1.00 0.00 O ATOM 890 CB GLU A 62 12.468 -7.593 -1.692 1.00 0.00 C ATOM 891 CG GLU A 62 13.977 -7.605 -1.870 1.00 0.00 C ATOM 892 CD GLU A 62 14.720 -7.642 -0.548 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.311 -8.419 0.340 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.709 -6.894 -0.401 1.00 0.00 O ATOM 0 H GLU A 62 10.471 -6.975 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 62 12.329 -9.056 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.130 -6.561 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.216 -8.098 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.262 -8.471 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.280 -6.719 -2.428 1.00 0.00 H new ATOM 901 N ASN A 63 10.258 -10.179 -2.533 1.00 0.00 N ATOM 902 CA ASN A 63 9.064 -10.888 -2.087 1.00 0.00 C ATOM 903 C ASN A 63 8.807 -10.641 -0.603 1.00 0.00 C ATOM 904 O ASN A 63 9.588 -11.061 0.251 1.00 0.00 O ATOM 905 CB ASN A 63 9.209 -12.389 -2.348 1.00 0.00 C ATOM 906 CG ASN A 63 8.799 -12.773 -3.756 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.644 -13.000 -4.621 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.494 -12.849 -3.991 1.00 0.00 N ATOM 0 H ASN A 63 10.943 -10.765 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 63 8.214 -10.508 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.244 -12.686 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.599 -12.940 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.157 -13.104 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.829 -12.652 -3.243 1.00 0.00 H new ATOM 915 N VAL A 64 7.707 -9.957 -0.305 1.00 0.00 N ATOM 916 CA VAL A 64 7.346 -9.656 1.075 1.00 0.00 C ATOM 917 C VAL A 64 5.978 -10.232 1.424 1.00 0.00 C ATOM 918 O VAL A 64 5.369 -9.850 2.422 1.00 0.00 O ATOM 919 CB VAL A 64 7.331 -8.137 1.332 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.746 -7.580 1.324 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.465 -7.431 0.300 1.00 0.00 C ATOM 0 H VAL A 64 7.051 -9.601 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 64 8.104 -10.118 1.708 1.00 0.00 H new ATOM 0 HB VAL A 64 6.901 -7.957 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.715 -6.506 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.332 -8.065 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.206 -7.770 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.466 -6.359 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.863 -7.617 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.445 -7.810 0.360 1.00 0.00 H new ATOM 931 N GLU A 65 5.502 -11.155 0.594 1.00 0.00 N ATOM 932 CA GLU A 65 4.206 -11.785 0.815 1.00 0.00 C ATOM 933 C GLU A 65 4.032 -12.172 2.281 1.00 0.00 C ATOM 934 O GLU A 65 2.994 -11.902 2.886 1.00 0.00 O ATOM 935 CB GLU A 65 4.057 -13.022 -0.072 1.00 0.00 C ATOM 936 CG GLU A 65 3.884 -12.698 -1.546 1.00 0.00 C ATOM 937 CD GLU A 65 3.155 -13.791 -2.303 1.00 0.00 C ATOM 938 OE1 GLU A 65 2.180 -14.344 -1.752 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.559 -14.093 -3.445 1.00 0.00 O ATOM 0 H GLU A 65 5.994 -11.483 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 65 3.431 -11.064 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.936 -13.655 0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.198 -13.600 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.333 -11.763 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.864 -12.541 -1.997 1.00 0.00 H new ATOM 946 N ASP A 66 5.054 -12.806 2.844 1.00 0.00 N ATOM 947 CA ASP A 66 5.016 -13.230 4.239 1.00 0.00 C ATOM 948 C ASP A 66 6.123 -12.555 5.043 1.00 0.00 C ATOM 949 O ASP A 66 6.842 -13.209 5.797 1.00 0.00 O ATOM 950 CB ASP A 66 5.153 -14.751 4.335 1.00 0.00 C ATOM 951 CG ASP A 66 6.412 -15.262 3.663 1.00 0.00 C ATOM 952 OD1 ASP A 66 6.453 -15.280 2.415 1.00 0.00 O ATOM 953 OD2 ASP A 66 7.356 -15.646 4.385 1.00 0.00 O ATOM 0 H ASP A 66 5.919 -13.038 2.356 1.00 0.00 H new ATOM 0 HA ASP A 66 4.055 -12.932 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.159 -15.047 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.283 -15.221 3.876 1.00 0.00 H new ATOM 958 N ALA A 67 6.254 -11.244 4.875 1.00 0.00 N ATOM 959 CA ALA A 67 7.272 -10.480 5.585 1.00 0.00 C ATOM 960 C ALA A 67 6.660 -9.682 6.731 1.00 0.00 C ATOM 961 O ALA A 67 5.446 -9.488 6.786 1.00 0.00 O ATOM 962 CB ALA A 67 8.003 -9.553 4.625 1.00 0.00 C ATOM 0 H ALA A 67 5.667 -10.688 4.253 1.00 0.00 H new ATOM 0 HA ALA A 67 7.988 -11.184 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.760 -8.989 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.482 -10.143 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.291 -8.862 4.173 1.00 0.00 H new ATOM 968 N SER A 68 7.508 -9.222 7.645 1.00 0.00 N ATOM 969 CA SER A 68 7.049 -8.448 8.793 1.00 0.00 C ATOM 970 C SER A 68 7.128 -6.952 8.506 1.00 0.00 C ATOM 971 O SER A 68 7.978 -6.499 7.738 1.00 0.00 O ATOM 972 CB SER A 68 7.885 -8.786 10.029 1.00 0.00 C ATOM 973 OG SER A 68 9.183 -8.226 9.936 1.00 0.00 O ATOM 0 H SER A 68 8.516 -9.372 7.613 1.00 0.00 H new ATOM 0 HA SER A 68 6.008 -8.709 8.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.387 -8.410 10.923 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.959 -9.868 10.137 1.00 0.00 H new ATOM 0 HG SER A 68 9.696 -8.455 10.739 1.00 0.00 H new ATOM 979 N HIS A 69 6.235 -6.188 9.128 1.00 0.00 N ATOM 980 CA HIS A 69 6.203 -4.742 8.941 1.00 0.00 C ATOM 981 C HIS A 69 7.606 -4.151 9.035 1.00 0.00 C ATOM 982 O HIS A 69 7.928 -3.182 8.349 1.00 0.00 O ATOM 983 CB HIS A 69 5.292 -4.092 9.982 1.00 0.00 C ATOM 984 CG HIS A 69 4.757 -2.758 9.561 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.598 -2.216 10.075 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.230 -1.856 8.670 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.380 -1.038 9.517 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.356 -0.796 8.661 1.00 0.00 N ATOM 0 H HIS A 69 5.524 -6.546 9.766 1.00 0.00 H new ATOM 0 HA HIS A 69 5.808 -4.538 7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.456 -4.760 10.189 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.845 -3.975 10.914 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.002 -2.656 10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.127 -1.952 8.077 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.546 -0.385 9.726 1.00 0.00 H new ATOM 997 N GLU A 70 8.436 -4.740 9.890 1.00 0.00 N ATOM 998 CA GLU A 70 9.804 -4.270 10.075 1.00 0.00 C ATOM 999 C GLU A 70 10.647 -4.549 8.834 1.00 0.00 C ATOM 1000 O GLU A 70 11.494 -3.742 8.453 1.00 0.00 O ATOM 1001 CB GLU A 70 10.437 -4.939 11.296 1.00 0.00 C ATOM 1002 CG GLU A 70 9.833 -4.491 12.617 1.00 0.00 C ATOM 1003 CD GLU A 70 10.572 -5.052 13.816 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.665 -4.537 14.132 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.058 -6.004 14.439 1.00 0.00 O ATOM 0 H GLU A 70 8.185 -5.544 10.466 1.00 0.00 H new ATOM 0 HA GLU A 70 9.772 -3.193 10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.329 -6.020 11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.506 -4.725 11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.842 -3.402 12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.789 -4.803 12.659 1.00 0.00 H new ATOM 1012 N GLU A 71 10.408 -5.699 8.210 1.00 0.00 N ATOM 1013 CA GLU A 71 11.147 -6.085 7.013 1.00 0.00 C ATOM 1014 C GLU A 71 10.821 -5.155 5.848 1.00 0.00 C ATOM 1015 O GLU A 71 11.696 -4.800 5.059 1.00 0.00 O ATOM 1016 CB GLU A 71 10.823 -7.531 6.632 1.00 0.00 C ATOM 1017 CG GLU A 71 11.568 -8.561 7.464 1.00 0.00 C ATOM 1018 CD GLU A 71 13.059 -8.565 7.190 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.493 -9.306 6.282 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.793 -7.829 7.882 1.00 0.00 O ATOM 0 H GLU A 71 9.710 -6.378 8.513 1.00 0.00 H new ATOM 0 HA GLU A 71 12.212 -6.004 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.751 -7.695 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.064 -7.683 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.397 -8.360 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.162 -9.551 7.258 1.00 0.00 H new ATOM 1027 N VAL A 72 9.554 -4.764 5.748 1.00 0.00 N ATOM 1028 CA VAL A 72 9.111 -3.875 4.681 1.00 0.00 C ATOM 1029 C VAL A 72 9.475 -2.426 4.985 1.00 0.00 C ATOM 1030 O VAL A 72 10.250 -1.804 4.260 1.00 0.00 O ATOM 1031 CB VAL A 72 7.590 -3.976 4.462 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.131 -2.961 3.426 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.204 -5.387 4.044 1.00 0.00 C ATOM 0 H VAL A 72 8.817 -5.049 6.393 1.00 0.00 H new ATOM 0 HA VAL A 72 9.623 -4.192 3.772 1.00 0.00 H new ATOM 0 HB VAL A 72 7.090 -3.751 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.054 -3.047 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.372 -1.955 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.638 -3.152 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.126 -5.440 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.713 -5.643 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.496 -6.090 4.824 1.00 0.00 H new ATOM 1043 N VAL A 73 8.909 -1.895 6.064 1.00 0.00 N ATOM 1044 CA VAL A 73 9.175 -0.519 6.467 1.00 0.00 C ATOM 1045 C VAL A 73 10.626 -0.138 6.198 1.00 0.00 C ATOM 1046 O VAL A 73 10.910 0.954 5.706 1.00 0.00 O ATOM 1047 CB VAL A 73 8.868 -0.302 7.961 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.784 -1.156 8.824 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.998 1.170 8.323 1.00 0.00 C ATOM 0 H VAL A 73 8.264 -2.396 6.675 1.00 0.00 H new ATOM 0 HA VAL A 73 8.519 0.117 5.872 1.00 0.00 H new ATOM 0 HB VAL A 73 7.840 -0.609 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.552 -0.989 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.635 -2.208 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.822 -0.883 8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.778 1.305 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.014 1.507 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.295 1.754 7.729 1.00 0.00 H new ATOM 1059 N GLU A 74 11.541 -1.046 6.523 1.00 0.00 N ATOM 1060 CA GLU A 74 12.964 -0.804 6.315 1.00 0.00 C ATOM 1061 C GLU A 74 13.278 -0.644 4.831 1.00 0.00 C ATOM 1062 O GLU A 74 14.051 0.230 4.438 1.00 0.00 O ATOM 1063 CB GLU A 74 13.790 -1.951 6.902 1.00 0.00 C ATOM 1064 CG GLU A 74 14.182 -1.737 8.355 1.00 0.00 C ATOM 1065 CD GLU A 74 14.751 -2.988 8.995 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.821 -3.450 8.545 1.00 0.00 O ATOM 1067 OE2 GLU A 74 14.128 -3.505 9.946 1.00 0.00 O ATOM 0 H GLU A 74 11.323 -1.955 6.931 1.00 0.00 H new ATOM 0 HA GLU A 74 13.227 0.122 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.220 -2.877 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.693 -2.079 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.918 -0.936 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.308 -1.410 8.919 1.00 0.00 H new ATOM 1074 N LYS A 75 12.674 -1.496 4.009 1.00 0.00 N ATOM 1075 CA LYS A 75 12.887 -1.451 2.568 1.00 0.00 C ATOM 1076 C LYS A 75 12.363 -0.144 1.981 1.00 0.00 C ATOM 1077 O LYS A 75 12.894 0.360 0.991 1.00 0.00 O ATOM 1078 CB LYS A 75 12.197 -2.639 1.892 1.00 0.00 C ATOM 1079 CG LYS A 75 12.940 -3.952 2.065 1.00 0.00 C ATOM 1080 CD LYS A 75 12.006 -5.143 1.928 1.00 0.00 C ATOM 1081 CE LYS A 75 12.779 -6.444 1.777 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.181 -7.007 3.096 1.00 0.00 N ATOM 0 H LYS A 75 12.032 -2.227 4.317 1.00 0.00 H new ATOM 0 HA LYS A 75 13.960 -1.508 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.191 -2.744 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.090 -2.429 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.733 -4.023 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.418 -3.974 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.360 -5.202 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.358 -5.001 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.166 -7.171 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.668 -6.270 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.218 -7.016 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.786 -6.420 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.819 -7.978 3.184 1.00 0.00 H new ATOM 1096 N VAL A 76 11.319 0.400 2.598 1.00 0.00 N ATOM 1097 CA VAL A 76 10.725 1.649 2.138 1.00 0.00 C ATOM 1098 C VAL A 76 11.652 2.830 2.405 1.00 0.00 C ATOM 1099 O VAL A 76 12.142 3.472 1.476 1.00 0.00 O ATOM 1100 CB VAL A 76 9.369 1.911 2.820 1.00 0.00 C ATOM 1101 CG1 VAL A 76 8.832 3.281 2.434 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.373 0.819 2.460 1.00 0.00 C ATOM 0 H VAL A 76 10.867 -0.005 3.418 1.00 0.00 H new ATOM 0 HA VAL A 76 10.570 1.548 1.064 1.00 0.00 H new ATOM 0 HB VAL A 76 9.516 1.896 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.874 3.448 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.539 4.050 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.699 3.328 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.420 1.019 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.228 0.800 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.756 -0.146 2.792 1.00 0.00 H new ATOM 1112 N LYS A 77 11.890 3.110 3.682 1.00 0.00 N ATOM 1113 CA LYS A 77 12.760 4.212 4.075 1.00 0.00 C ATOM 1114 C LYS A 77 14.101 4.130 3.354 1.00 0.00 C ATOM 1115 O LYS A 77 14.637 5.141 2.899 1.00 0.00 O ATOM 1116 CB LYS A 77 12.981 4.200 5.589 1.00 0.00 C ATOM 1117 CG LYS A 77 13.380 2.840 6.134 1.00 0.00 C ATOM 1118 CD LYS A 77 13.046 2.712 7.611 1.00 0.00 C ATOM 1119 CE LYS A 77 13.720 3.801 8.432 1.00 0.00 C ATOM 1120 NZ LYS A 77 15.183 3.560 8.579 1.00 0.00 N ATOM 0 H LYS A 77 11.492 2.588 4.463 1.00 0.00 H new ATOM 0 HA LYS A 77 12.272 5.145 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.756 4.924 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.066 4.526 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.867 2.058 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.449 2.687 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.966 2.768 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.362 1.734 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.557 4.768 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.259 3.850 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.606 4.324 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.339 2.649 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.628 3.539 7.639 1.00 0.00 H new ATOM 1134 N LYS A 78 14.639 2.919 3.251 1.00 0.00 N ATOM 1135 CA LYS A 78 15.917 2.703 2.583 1.00 0.00 C ATOM 1136 C LYS A 78 15.821 3.050 1.101 1.00 0.00 C ATOM 1137 O LYS A 78 16.774 3.560 0.510 1.00 0.00 O ATOM 1138 CB LYS A 78 16.364 1.249 2.749 1.00 0.00 C ATOM 1139 CG LYS A 78 16.936 0.942 4.122 1.00 0.00 C ATOM 1140 CD LYS A 78 17.688 -0.379 4.130 1.00 0.00 C ATOM 1141 CE LYS A 78 17.624 -1.048 5.495 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.234 -2.406 5.475 1.00 0.00 N ATOM 0 H LYS A 78 14.209 2.072 3.622 1.00 0.00 H new ATOM 0 HA LYS A 78 16.655 3.358 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.514 0.593 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.114 1.020 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.607 1.746 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.129 0.907 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.265 -1.044 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.729 -0.208 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.141 -0.428 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.585 -1.121 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.171 -2.829 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.725 -3.005 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.233 -2.334 5.194 1.00 0.00 H new ATOM 1156 N SER A 79 14.666 2.772 0.506 1.00 0.00 N ATOM 1157 CA SER A 79 14.447 3.053 -0.908 1.00 0.00 C ATOM 1158 C SER A 79 15.181 4.323 -1.330 1.00 0.00 C ATOM 1159 O SER A 79 15.812 4.367 -2.384 1.00 0.00 O ATOM 1160 CB SER A 79 12.951 3.196 -1.196 1.00 0.00 C ATOM 1161 OG SER A 79 12.525 4.537 -1.030 1.00 0.00 O ATOM 0 H SER A 79 13.867 2.352 0.981 1.00 0.00 H new ATOM 0 HA SER A 79 14.843 2.217 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.741 2.868 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.385 2.546 -0.528 1.00 0.00 H new ATOM 0 HG SER A 79 12.232 4.675 -0.105 1.00 0.00 H new ATOM 1167 N GLY A 80 15.092 5.355 -0.496 1.00 0.00 N ATOM 1168 CA GLY A 80 15.751 6.612 -0.799 1.00 0.00 C ATOM 1169 C GLY A 80 14.769 7.713 -1.144 1.00 0.00 C ATOM 1170 O GLY A 80 14.435 8.544 -0.299 1.00 0.00 O ATOM 0 H GLY A 80 14.576 5.343 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.351 6.920 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.437 6.467 -1.633 1.00 0.00 H new ATOM 1174 N SER A 81 14.305 7.722 -2.390 1.00 0.00 N ATOM 1175 CA SER A 81 13.359 8.733 -2.846 1.00 0.00 C ATOM 1176 C SER A 81 12.115 8.083 -3.444 1.00 0.00 C ATOM 1177 O SER A 81 10.990 8.505 -3.174 1.00 0.00 O ATOM 1178 CB SER A 81 14.017 9.647 -3.881 1.00 0.00 C ATOM 1179 OG SER A 81 15.026 10.447 -3.288 1.00 0.00 O ATOM 0 H SER A 81 14.569 7.040 -3.101 1.00 0.00 H new ATOM 0 HA SER A 81 13.058 9.328 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.449 9.045 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.262 10.287 -4.337 1.00 0.00 H new ATOM 0 HG SER A 81 15.432 11.021 -3.971 1.00 0.00 H new ATOM 1185 N ARG A 82 12.326 7.053 -4.258 1.00 0.00 N ATOM 1186 CA ARG A 82 11.222 6.345 -4.895 1.00 0.00 C ATOM 1187 C ARG A 82 11.195 4.881 -4.465 1.00 0.00 C ATOM 1188 O ARG A 82 12.220 4.316 -4.083 1.00 0.00 O ATOM 1189 CB ARG A 82 11.340 6.438 -6.417 1.00 0.00 C ATOM 1190 CG ARG A 82 11.302 7.863 -6.945 1.00 0.00 C ATOM 1191 CD ARG A 82 12.109 8.005 -8.226 1.00 0.00 C ATOM 1192 NE ARG A 82 13.545 8.058 -7.965 1.00 0.00 N ATOM 1193 CZ ARG A 82 14.469 7.939 -8.912 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.109 7.760 -10.175 1.00 0.00 N ATOM 1195 NH2 ARG A 82 15.757 7.998 -8.596 1.00 0.00 N ATOM 0 H ARG A 82 13.250 6.691 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 82 10.291 6.816 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.272 5.968 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.529 5.869 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.269 8.156 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.695 8.543 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.891 7.166 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.802 8.910 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 82 13.855 8.194 -7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.120 7.713 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.821 7.669 -10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.038 8.135 -7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.465 7.906 -9.324 1.00 0.00 H new ATOM 1209 N VAL A 83 10.015 4.272 -4.529 1.00 0.00 N ATOM 1210 CA VAL A 83 9.855 2.874 -4.147 1.00 0.00 C ATOM 1211 C VAL A 83 9.085 2.099 -5.211 1.00 0.00 C ATOM 1212 O VAL A 83 8.538 2.684 -6.145 1.00 0.00 O ATOM 1213 CB VAL A 83 9.122 2.742 -2.799 1.00 0.00 C ATOM 1214 CG1 VAL A 83 9.583 1.495 -2.061 1.00 0.00 C ATOM 1215 CG2 VAL A 83 9.339 3.985 -1.950 1.00 0.00 C ATOM 0 H VAL A 83 9.156 4.725 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 83 10.856 2.455 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 83 8.054 2.646 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.054 1.418 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.370 0.614 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.655 1.557 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.814 3.874 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.405 4.116 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.954 4.858 -2.478 1.00 0.00 H new ATOM 1225 N MET A 84 9.045 0.780 -5.060 1.00 0.00 N ATOM 1226 CA MET A 84 8.340 -0.076 -6.008 1.00 0.00 C ATOM 1227 C MET A 84 7.484 -1.106 -5.277 1.00 0.00 C ATOM 1228 O MET A 84 7.991 -2.120 -4.796 1.00 0.00 O ATOM 1229 CB MET A 84 9.336 -0.784 -6.928 1.00 0.00 C ATOM 1230 CG MET A 84 8.687 -1.781 -7.874 1.00 0.00 C ATOM 1231 SD MET A 84 9.895 -2.730 -8.818 1.00 0.00 S ATOM 1232 CE MET A 84 10.897 -1.414 -9.505 1.00 0.00 C ATOM 0 H MET A 84 9.492 0.280 -4.291 1.00 0.00 H new ATOM 0 HA MET A 84 7.685 0.554 -6.610 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.872 -0.037 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.076 -1.303 -6.318 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.061 -2.465 -7.301 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.031 -1.249 -8.562 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.472 -1.797 -10.348 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.251 -0.604 -9.844 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.578 -1.039 -8.741 1.00 0.00 H new ATOM 1242 N PHE A 85 6.185 -0.839 -5.196 1.00 0.00 N ATOM 1243 CA PHE A 85 5.259 -1.743 -4.523 1.00 0.00 C ATOM 1244 C PHE A 85 4.493 -2.590 -5.535 1.00 0.00 C ATOM 1245 O PHE A 85 3.884 -2.064 -6.467 1.00 0.00 O ATOM 1246 CB PHE A 85 4.278 -0.949 -3.657 1.00 0.00 C ATOM 1247 CG PHE A 85 4.936 -0.217 -2.523 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.256 -0.877 -1.348 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.233 1.132 -2.632 1.00 0.00 C ATOM 1250 CE1 PHE A 85 5.862 -0.206 -0.302 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.839 1.808 -1.590 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.153 1.138 -0.423 1.00 0.00 C ATOM 0 H PHE A 85 5.749 -0.004 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 85 5.839 -2.409 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.751 -0.231 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.529 -1.630 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.029 -1.928 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.988 1.661 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.107 -0.733 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.067 2.859 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.625 1.665 0.393 1.00 0.00 H new ATOM 1262 N LEU A 86 4.528 -3.904 -5.344 1.00 0.00 N ATOM 1263 CA LEU A 86 3.837 -4.825 -6.239 1.00 0.00 C ATOM 1264 C LEU A 86 2.654 -5.484 -5.537 1.00 0.00 C ATOM 1265 O LEU A 86 2.832 -6.327 -4.657 1.00 0.00 O ATOM 1266 CB LEU A 86 4.805 -5.896 -6.746 1.00 0.00 C ATOM 1267 CG LEU A 86 4.231 -6.899 -7.748 1.00 0.00 C ATOM 1268 CD1 LEU A 86 4.117 -6.270 -9.127 1.00 0.00 C ATOM 1269 CD2 LEU A 86 5.093 -8.152 -7.801 1.00 0.00 C ATOM 0 H LEU A 86 5.027 -4.355 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 86 3.459 -4.254 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.657 -5.398 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.187 -6.448 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 86 3.232 -7.183 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.707 -6.998 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.458 -5.403 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.104 -5.957 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.670 -8.855 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.104 -7.885 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.123 -8.615 -6.815 1.00 0.00 H new ATOM 1281 N LEU A 87 1.447 -5.094 -5.931 1.00 0.00 N ATOM 1282 CA LEU A 87 0.233 -5.648 -5.341 1.00 0.00 C ATOM 1283 C LEU A 87 -0.719 -6.149 -6.423 1.00 0.00 C ATOM 1284 O LEU A 87 -0.490 -5.936 -7.613 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.465 -4.595 -4.479 1.00 0.00 C ATOM 1286 CG LEU A 87 0.430 -3.494 -3.909 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.609 -2.374 -4.922 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.152 -2.954 -2.610 1.00 0.00 C ATOM 0 H LEU A 87 1.283 -4.396 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 87 0.516 -6.493 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.248 -4.127 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.957 -5.102 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 87 1.409 -3.922 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.249 -1.600 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.070 -2.771 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.363 -1.947 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.497 -2.171 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.143 -2.542 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.227 -3.761 -1.882 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.789 -6.815 -6.000 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.778 -7.343 -6.932 1.00 0.00 C ATOM 1302 C VAL A 88 -4.115 -6.626 -6.779 1.00 0.00 C ATOM 1303 O VAL A 88 -4.415 -6.070 -5.723 1.00 0.00 O ATOM 1304 CB VAL A 88 -2.992 -8.854 -6.726 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -3.993 -9.395 -7.736 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.668 -9.598 -6.825 1.00 0.00 C ATOM 0 H VAL A 88 -1.993 -7.002 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.390 -7.172 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.398 -9.012 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.131 -10.464 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.947 -8.883 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.619 -9.226 -8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.838 -10.664 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.231 -9.434 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.985 -9.230 -6.059 1.00 0.00 H new ATOM 1316 N ASP A 89 -4.914 -6.644 -7.840 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.221 -5.997 -7.824 1.00 0.00 C ATOM 1318 C ASP A 89 -7.133 -6.642 -6.785 1.00 0.00 C ATOM 1319 O ASP A 89 -7.307 -7.860 -6.766 1.00 0.00 O ATOM 1320 CB ASP A 89 -6.869 -6.074 -9.208 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.437 -7.304 -9.982 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.959 -8.267 -9.347 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.576 -7.303 -11.223 1.00 0.00 O ATOM 0 H ASP A 89 -4.680 -7.100 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.078 -4.950 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.953 -6.080 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.611 -5.181 -9.777 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.714 -5.815 -5.922 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.610 -6.303 -4.879 1.00 0.00 C ATOM 1330 C LYS A 90 -9.693 -7.201 -5.468 1.00 0.00 C ATOM 1331 O LYS A 90 -10.189 -8.108 -4.801 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.253 -5.127 -4.140 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.270 -4.368 -4.975 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.359 -3.758 -4.107 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.630 -3.506 -4.904 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.411 -2.364 -4.354 1.00 0.00 N ATOM 0 H LYS A 90 -7.581 -4.804 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.021 -6.889 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.740 -5.498 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.471 -4.438 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.767 -3.581 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.719 -5.042 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.577 -4.425 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.003 -2.820 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.373 -3.303 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.247 -4.405 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.269 -2.224 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.678 -2.568 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.831 -1.501 -4.383 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.052 -6.943 -6.722 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.075 -7.730 -7.400 1.00 0.00 C ATOM 1352 C GLU A 91 -10.601 -9.163 -7.625 1.00 0.00 C ATOM 1353 O GLU A 91 -11.405 -10.092 -7.699 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.442 -7.086 -8.739 1.00 0.00 C ATOM 1355 CG GLU A 91 -10.236 -6.687 -9.572 1.00 0.00 C ATOM 1356 CD GLU A 91 -10.546 -6.624 -11.055 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -10.827 -7.687 -11.647 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -10.508 -5.513 -11.623 1.00 0.00 O ATOM 0 H GLU A 91 -9.650 -6.196 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.959 -7.755 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.055 -7.782 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.053 -6.203 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.875 -5.714 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.430 -7.401 -9.403 1.00 0.00 H new