USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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: B 397 ASN : amide:sc= -2.14 K(o=-1.2,f=-4.7) USER MOD Set 1.2: B 400 LYS NZ :NH3+ 143:sc= 0.976 (180deg=0) USER MOD Single : A 607 CYS SG : rot 36:sc= -0.0195 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -119:sc= -3.23! (180deg=-5.39!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -110:sc= 0.676 (180deg=-0.237) USER MOD Single : A 617 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.64) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 623 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 HIS : no HE2:sc= 0.604 K(o=0.6,f=-2!) USER MOD Single : A 638 GLN : amide:sc= -4.04! K(o=-4!,f=-2.6) USER MOD Single : A 639 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 180:sc= -0.889 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -3:sc= 0.745 USER MOD Single : B 393 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0.0895 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.571 USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -15.833 4.279 6.556 1.00 13.31 N ATOM 107 CA CYS A 607 -14.843 3.627 5.706 1.00 3.25 C ATOM 108 C CYS A 607 -15.488 2.537 4.857 1.00 12.34 C ATOM 109 O CYS A 607 -16.085 1.596 5.383 1.00 5.52 O ATOM 110 CB CYS A 607 -13.722 3.031 6.559 1.00 63.35 C ATOM 111 SG CYS A 607 -14.302 1.966 7.900 1.00 3.24 S ATOM 0 HA CYS A 607 -14.421 4.379 5.039 1.00 3.25 H new ATOM 0 HB2 CYS A 607 -13.056 2.456 5.915 1.00 63.35 H new ATOM 0 HB3 CYS A 607 -13.132 3.843 6.984 1.00 63.35 H new ATOM 0 HG CYS A 607 -15.350 1.305 7.507 1.00 3.24 H new ATOM 117 N LYS A 608 -15.367 2.670 3.541 1.00 15.22 N ATOM 118 CA LYS A 608 -15.939 1.697 2.617 1.00 22.33 C ATOM 119 C LYS A 608 -14.922 0.615 2.269 1.00 22.15 C ATOM 120 O LYS A 608 -13.711 0.830 2.314 1.00 23.34 O ATOM 121 CB LYS A 608 -16.416 2.393 1.341 1.00 14.44 C ATOM 122 CG LYS A 608 -17.427 3.498 1.593 1.00 71.35 C ATOM 123 CD LYS A 608 -18.625 2.989 2.378 1.00 41.44 C ATOM 124 CE LYS A 608 -19.913 3.663 1.928 1.00 3.31 C ATOM 125 NZ LYS A 608 -20.673 2.819 0.965 1.00 40.00 N ATOM 0 H LYS A 608 -14.878 3.443 3.089 1.00 15.22 H new ATOM 0 HA LYS A 608 -16.792 1.226 3.106 1.00 22.33 H new ATOM 0 HB2 LYS A 608 -15.554 2.812 0.822 1.00 14.44 H new ATOM 0 HB3 LYS A 608 -16.859 1.651 0.676 1.00 14.44 H new ATOM 0 HG2 LYS A 608 -16.950 4.311 2.141 1.00 71.35 H new ATOM 0 HG3 LYS A 608 -17.763 3.909 0.641 1.00 71.35 H new ATOM 0 HD2 LYS A 608 -18.714 1.910 2.250 1.00 41.44 H new ATOM 0 HD3 LYS A 608 -18.469 3.172 3.441 1.00 41.44 H new ATOM 0 HE2 LYS A 608 -20.536 3.873 2.797 1.00 3.31 H new ATOM 0 HE3 LYS A 608 -19.679 4.621 1.465 1.00 3.31 H new ATOM 0 HZ1 LYS A 608 -21.544 3.313 0.682 1.00 40.00 H new ATOM 0 HZ2 LYS A 608 -20.088 2.639 0.124 1.00 40.00 H new ATOM 0 HZ3 LYS A 608 -20.919 1.914 1.415 1.00 40.00 H new ATOM 139 N PRO A 609 -15.424 -0.577 1.912 1.00 61.20 N ATOM 140 CA PRO A 609 -14.576 -1.716 1.547 1.00 44.44 C ATOM 141 C PRO A 609 -13.864 -1.505 0.214 1.00 72.52 C ATOM 142 O PRO A 609 -14.272 -0.669 -0.591 1.00 60.23 O ATOM 143 CB PRO A 609 -15.565 -2.878 1.447 1.00 75.33 C ATOM 144 CG PRO A 609 -16.874 -2.236 1.137 1.00 13.45 C ATOM 145 CD PRO A 609 -16.857 -0.905 1.837 1.00 51.14 C ATOM 0 HA PRO A 609 -13.779 -1.879 2.272 1.00 44.44 H new ATOM 0 HB2 PRO A 609 -15.273 -3.580 0.666 1.00 75.33 H new ATOM 0 HB3 PRO A 609 -15.611 -3.440 2.380 1.00 75.33 H new ATOM 0 HG2 PRO A 609 -17.002 -2.110 0.062 1.00 13.45 H new ATOM 0 HG3 PRO A 609 -17.703 -2.851 1.487 1.00 13.45 H new ATOM 0 HD2 PRO A 609 -17.413 -0.151 1.280 1.00 51.14 H new ATOM 0 HD3 PRO A 609 -17.308 -0.966 2.828 1.00 51.14 H new ATOM 153 N MET A 610 -12.801 -2.270 -0.011 1.00 14.11 N ATOM 154 CA MET A 610 -12.035 -2.167 -1.248 1.00 51.01 C ATOM 155 C MET A 610 -11.912 -3.528 -1.926 1.00 0.12 C ATOM 156 O MET A 610 -11.555 -4.519 -1.288 1.00 4.01 O ATOM 157 CB MET A 610 -10.643 -1.597 -0.965 1.00 73.11 C ATOM 158 CG MET A 610 -10.670 -0.262 -0.239 1.00 53.53 C ATOM 159 SD MET A 610 -10.257 1.123 -1.317 1.00 10.34 S ATOM 160 CE MET A 610 -8.612 0.659 -1.851 1.00 72.55 C ATOM 0 H MET A 610 -12.451 -2.967 0.646 1.00 14.11 H new ATOM 0 HA MET A 610 -12.566 -1.493 -1.920 1.00 51.01 H new ATOM 0 HB2 MET A 610 -10.080 -2.315 -0.368 1.00 73.11 H new ATOM 0 HB3 MET A 610 -10.109 -1.478 -1.908 1.00 73.11 H new ATOM 0 HG2 MET A 610 -11.661 -0.104 0.186 1.00 53.53 H new ATOM 0 HG3 MET A 610 -9.967 -0.291 0.594 1.00 53.53 H new ATOM 0 HE1 MET A 610 -7.898 1.420 -1.534 1.00 72.55 H new ATOM 0 HE2 MET A 610 -8.342 -0.299 -1.407 1.00 72.55 H new ATOM 0 HE3 MET A 610 -8.593 0.574 -2.938 1.00 72.55 H new ATOM 170 N SER A 611 -12.210 -3.569 -3.220 1.00 42.04 N ATOM 171 CA SER A 611 -12.135 -4.809 -3.983 1.00 34.41 C ATOM 172 C SER A 611 -10.761 -4.972 -4.624 1.00 51.24 C ATOM 173 O SER A 611 -10.003 -4.009 -4.749 1.00 34.00 O ATOM 174 CB SER A 611 -13.220 -4.836 -5.061 1.00 11.22 C ATOM 175 OG SER A 611 -13.746 -6.141 -5.225 1.00 60.52 O ATOM 0 H SER A 611 -12.506 -2.757 -3.762 1.00 42.04 H new ATOM 0 HA SER A 611 -12.295 -5.639 -3.295 1.00 34.41 H new ATOM 0 HB2 SER A 611 -14.022 -4.149 -4.791 1.00 11.22 H new ATOM 0 HB3 SER A 611 -12.806 -4.486 -6.007 1.00 11.22 H new ATOM 0 HG SER A 611 -14.438 -6.130 -5.918 1.00 60.52 H new ATOM 181 N TYR A 612 -10.445 -6.197 -5.029 1.00 75.44 N ATOM 182 CA TYR A 612 -9.162 -6.488 -5.657 1.00 24.45 C ATOM 183 C TYR A 612 -8.959 -5.636 -6.906 1.00 13.24 C ATOM 184 O TYR A 612 -7.829 -5.360 -7.305 1.00 53.02 O ATOM 185 CB TYR A 612 -9.071 -7.972 -6.017 1.00 23.04 C ATOM 186 CG TYR A 612 -10.288 -8.494 -6.746 1.00 54.43 C ATOM 187 CD1 TYR A 612 -10.449 -8.282 -8.109 1.00 74.45 C ATOM 188 CD2 TYR A 612 -11.277 -9.199 -6.071 1.00 14.40 C ATOM 189 CE1 TYR A 612 -11.561 -8.756 -8.779 1.00 42.14 C ATOM 190 CE2 TYR A 612 -12.391 -9.677 -6.733 1.00 73.21 C ATOM 191 CZ TYR A 612 -12.529 -9.453 -8.086 1.00 72.41 C ATOM 192 OH TYR A 612 -13.637 -9.928 -8.750 1.00 61.13 O ATOM 0 H TYR A 612 -11.060 -7.005 -4.933 1.00 75.44 H new ATOM 0 HA TYR A 612 -8.375 -6.245 -4.943 1.00 24.45 H new ATOM 0 HB2 TYR A 612 -8.189 -8.133 -6.637 1.00 23.04 H new ATOM 0 HB3 TYR A 612 -8.929 -8.551 -5.104 1.00 23.04 H new ATOM 0 HD1 TYR A 612 -9.692 -7.738 -8.655 1.00 74.45 H new ATOM 0 HD2 TYR A 612 -11.173 -9.376 -5.011 1.00 14.40 H new ATOM 0 HE1 TYR A 612 -11.672 -8.582 -9.839 1.00 42.14 H new ATOM 0 HE2 TYR A 612 -13.150 -10.224 -6.193 1.00 73.21 H new ATOM 0 HH TYR A 612 -14.221 -10.397 -8.118 1.00 61.13 H new ATOM 202 N GLU A 613 -10.065 -5.223 -7.517 1.00 11.50 N ATOM 203 CA GLU A 613 -10.010 -4.402 -8.721 1.00 64.41 C ATOM 204 C GLU A 613 -9.237 -3.112 -8.466 1.00 25.24 C ATOM 205 O GLU A 613 -8.200 -2.867 -9.080 1.00 4.32 O ATOM 206 CB GLU A 613 -11.423 -4.075 -9.207 1.00 75.33 C ATOM 207 CG GLU A 613 -11.752 -4.668 -10.567 1.00 60.24 C ATOM 208 CD GLU A 613 -13.063 -4.152 -11.128 1.00 32.14 C ATOM 209 OE1 GLU A 613 -13.384 -2.968 -10.894 1.00 72.02 O ATOM 210 OE2 GLU A 613 -13.769 -4.934 -11.799 1.00 11.11 O ATOM 0 H GLU A 613 -11.009 -5.443 -7.199 1.00 11.50 H new ATOM 0 HA GLU A 613 -9.490 -4.970 -9.493 1.00 64.41 H new ATOM 0 HB2 GLU A 613 -12.143 -4.442 -8.476 1.00 75.33 H new ATOM 0 HB3 GLU A 613 -11.540 -2.992 -9.254 1.00 75.33 H new ATOM 0 HG2 GLU A 613 -10.947 -4.437 -11.264 1.00 60.24 H new ATOM 0 HG3 GLU A 613 -11.799 -5.754 -10.484 1.00 60.24 H new ATOM 217 N GLU A 614 -9.751 -2.292 -7.555 1.00 54.13 N ATOM 218 CA GLU A 614 -9.109 -1.026 -7.220 1.00 12.35 C ATOM 219 C GLU A 614 -7.740 -1.260 -6.591 1.00 5.24 C ATOM 220 O GLU A 614 -6.812 -0.473 -6.783 1.00 35.03 O ATOM 221 CB GLU A 614 -9.991 -0.220 -6.262 1.00 64.23 C ATOM 222 CG GLU A 614 -11.394 0.027 -6.790 1.00 34.24 C ATOM 223 CD GLU A 614 -11.791 1.489 -6.731 1.00 12.41 C ATOM 224 OE1 GLU A 614 -11.803 2.057 -5.619 1.00 13.34 O ATOM 225 OE2 GLU A 614 -12.088 2.066 -7.798 1.00 40.21 O ATOM 0 H GLU A 614 -10.609 -2.481 -7.036 1.00 54.13 H new ATOM 0 HA GLU A 614 -8.974 -0.461 -8.142 1.00 12.35 H new ATOM 0 HB2 GLU A 614 -10.057 -0.748 -5.311 1.00 64.23 H new ATOM 0 HB3 GLU A 614 -9.513 0.739 -6.061 1.00 64.23 H new ATOM 0 HG2 GLU A 614 -11.457 -0.321 -7.821 1.00 34.24 H new ATOM 0 HG3 GLU A 614 -12.105 -0.562 -6.211 1.00 34.24 H new ATOM 232 N LYS A 615 -7.619 -2.349 -5.837 1.00 53.23 N ATOM 233 CA LYS A 615 -6.363 -2.689 -5.179 1.00 74.23 C ATOM 234 C LYS A 615 -5.271 -2.972 -6.206 1.00 23.22 C ATOM 235 O LYS A 615 -4.172 -2.423 -6.123 1.00 23.50 O ATOM 236 CB LYS A 615 -6.553 -3.907 -4.272 1.00 71.13 C ATOM 237 CG LYS A 615 -7.357 -3.611 -3.017 1.00 51.15 C ATOM 238 CD LYS A 615 -7.482 -4.841 -2.133 1.00 52.32 C ATOM 239 CE LYS A 615 -8.873 -5.448 -2.218 1.00 72.53 C ATOM 240 NZ LYS A 615 -9.273 -6.102 -0.942 1.00 25.23 N ATOM 0 H LYS A 615 -8.376 -3.011 -5.667 1.00 53.23 H new ATOM 0 HA LYS A 615 -6.056 -1.837 -4.573 1.00 74.23 H new ATOM 0 HB2 LYS A 615 -7.052 -4.695 -4.836 1.00 71.13 H new ATOM 0 HB3 LYS A 615 -5.575 -4.292 -3.984 1.00 71.13 H new ATOM 0 HG2 LYS A 615 -6.878 -2.807 -2.458 1.00 51.15 H new ATOM 0 HG3 LYS A 615 -8.350 -3.259 -3.295 1.00 51.15 H new ATOM 0 HD2 LYS A 615 -6.741 -5.582 -2.432 1.00 52.32 H new ATOM 0 HD3 LYS A 615 -7.264 -4.572 -1.100 1.00 52.32 H new ATOM 0 HE2 LYS A 615 -9.594 -4.670 -2.468 1.00 72.53 H new ATOM 0 HE3 LYS A 615 -8.901 -6.180 -3.025 1.00 72.53 H new ATOM 0 HZ1 LYS A 615 -9.296 -7.133 -1.073 1.00 25.23 H new ATOM 0 HZ2 LYS A 615 -8.586 -5.863 -0.199 1.00 25.23 H new ATOM 0 HZ3 LYS A 615 -10.217 -5.767 -0.661 1.00 25.23 H new ATOM 254 N ARG A 616 -5.581 -3.830 -7.172 1.00 1.41 N ATOM 255 CA ARG A 616 -4.625 -4.184 -8.214 1.00 71.23 C ATOM 256 C ARG A 616 -4.071 -2.934 -8.892 1.00 64.44 C ATOM 257 O ARG A 616 -2.940 -2.931 -9.377 1.00 73.12 O ATOM 258 CB ARG A 616 -5.286 -5.091 -9.255 1.00 1.22 C ATOM 259 CG ARG A 616 -5.932 -4.332 -10.402 1.00 4.14 C ATOM 260 CD ARG A 616 -4.971 -4.161 -11.568 1.00 2.21 C ATOM 261 NE ARG A 616 -5.436 -4.854 -12.767 1.00 3.42 N ATOM 262 CZ ARG A 616 -4.803 -4.809 -13.934 1.00 40.40 C ATOM 263 NH1 ARG A 616 -3.684 -4.109 -14.058 1.00 53.45 N ATOM 264 NH2 ARG A 616 -5.289 -5.466 -14.979 1.00 20.02 N ATOM 0 H ARG A 616 -6.486 -4.293 -7.255 1.00 1.41 H new ATOM 0 HA ARG A 616 -3.798 -4.719 -7.747 1.00 71.23 H new ATOM 0 HB2 ARG A 616 -4.537 -5.773 -9.658 1.00 1.22 H new ATOM 0 HB3 ARG A 616 -6.043 -5.703 -8.763 1.00 1.22 H new ATOM 0 HG2 ARG A 616 -6.821 -4.865 -10.737 1.00 4.14 H new ATOM 0 HG3 ARG A 616 -6.260 -3.353 -10.053 1.00 4.14 H new ATOM 0 HD2 ARG A 616 -4.851 -3.100 -11.786 1.00 2.21 H new ATOM 0 HD3 ARG A 616 -3.989 -4.542 -11.287 1.00 2.21 H new ATOM 0 HE ARG A 616 -6.294 -5.402 -12.705 1.00 3.42 H new ATOM 0 HH11 ARG A 616 -3.307 -3.603 -13.256 1.00 53.45 H new ATOM 0 HH12 ARG A 616 -3.200 -4.076 -14.955 1.00 53.45 H new ATOM 0 HH21 ARG A 616 -6.149 -6.006 -14.887 1.00 20.02 H new ATOM 0 HH22 ARG A 616 -4.802 -5.431 -15.875 1.00 20.02 H new ATOM 278 N GLN A 617 -4.876 -1.877 -8.922 1.00 22.42 N ATOM 279 CA GLN A 617 -4.466 -0.623 -9.541 1.00 2.24 C ATOM 280 C GLN A 617 -3.416 0.087 -8.691 1.00 72.14 C ATOM 281 O GLN A 617 -2.520 0.748 -9.217 1.00 54.52 O ATOM 282 CB GLN A 617 -5.677 0.290 -9.744 1.00 1.51 C ATOM 283 CG GLN A 617 -5.327 1.638 -10.352 1.00 41.51 C ATOM 284 CD GLN A 617 -4.660 1.512 -11.707 1.00 54.43 C ATOM 285 OE1 GLN A 617 -4.948 0.589 -12.470 1.00 32.15 O ATOM 286 NE2 GLN A 617 -3.764 2.442 -12.016 1.00 3.24 N ATOM 0 H GLN A 617 -5.815 -1.864 -8.525 1.00 22.42 H new ATOM 0 HA GLN A 617 -4.026 -0.853 -10.511 1.00 2.24 H new ATOM 0 HB2 GLN A 617 -6.397 -0.214 -10.388 1.00 1.51 H new ATOM 0 HB3 GLN A 617 -6.166 0.450 -8.783 1.00 1.51 H new ATOM 0 HG2 GLN A 617 -6.234 2.234 -10.452 1.00 41.51 H new ATOM 0 HG3 GLN A 617 -4.665 2.177 -9.674 1.00 41.51 H new ATOM 0 HE21 GLN A 617 -3.556 3.189 -11.354 1.00 3.24 H new ATOM 0 HE22 GLN A 617 -3.284 2.409 -12.915 1.00 3.24 H new ATOM 295 N LEU A 618 -3.533 -0.055 -7.375 1.00 62.12 N ATOM 296 CA LEU A 618 -2.594 0.572 -6.452 1.00 15.43 C ATOM 297 C LEU A 618 -1.213 -0.066 -6.562 1.00 61.33 C ATOM 298 O LEU A 618 -0.201 0.630 -6.639 1.00 3.40 O ATOM 299 CB LEU A 618 -3.108 0.458 -5.016 1.00 32.31 C ATOM 300 CG LEU A 618 -4.018 1.589 -4.536 1.00 63.13 C ATOM 301 CD1 LEU A 618 -4.969 2.014 -5.643 1.00 15.32 C ATOM 302 CD2 LEU A 618 -4.792 1.163 -3.298 1.00 30.50 C ATOM 0 H LEU A 618 -4.269 -0.599 -6.924 1.00 62.12 H new ATOM 0 HA LEU A 618 -2.509 1.625 -6.719 1.00 15.43 H new ATOM 0 HB2 LEU A 618 -3.650 -0.483 -4.919 1.00 32.31 H new ATOM 0 HB3 LEU A 618 -2.249 0.402 -4.347 1.00 32.31 H new ATOM 0 HG LEU A 618 -3.395 2.444 -4.272 1.00 63.13 H new ATOM 0 HD11 LEU A 618 -5.609 2.820 -5.283 1.00 15.32 H new ATOM 0 HD12 LEU A 618 -4.395 2.362 -6.502 1.00 15.32 H new ATOM 0 HD13 LEU A 618 -5.586 1.165 -5.939 1.00 15.32 H new ATOM 0 HD21 LEU A 618 -5.434 1.981 -2.971 1.00 30.50 H new ATOM 0 HD22 LEU A 618 -5.404 0.293 -3.533 1.00 30.50 H new ATOM 0 HD23 LEU A 618 -4.093 0.910 -2.501 1.00 30.50 H new ATOM 314 N SER A 619 -1.179 -1.394 -6.572 1.00 73.21 N ATOM 315 CA SER A 619 0.078 -2.127 -6.672 1.00 73.25 C ATOM 316 C SER A 619 0.860 -1.697 -7.909 1.00 62.13 C ATOM 317 O SER A 619 2.072 -1.486 -7.850 1.00 75.53 O ATOM 318 CB SER A 619 -0.188 -3.633 -6.720 1.00 63.34 C ATOM 319 OG SER A 619 0.854 -4.312 -7.400 1.00 24.31 O ATOM 0 H SER A 619 -2.008 -1.985 -6.512 1.00 73.21 H new ATOM 0 HA SER A 619 0.675 -1.899 -5.789 1.00 73.25 H new ATOM 0 HB2 SER A 619 -0.279 -4.022 -5.706 1.00 63.34 H new ATOM 0 HB3 SER A 619 -1.138 -3.822 -7.221 1.00 63.34 H new ATOM 0 HG SER A 619 0.662 -5.273 -7.416 1.00 24.31 H new ATOM 325 N LEU A 620 0.158 -1.569 -9.030 1.00 54.54 N ATOM 326 CA LEU A 620 0.784 -1.164 -10.283 1.00 44.23 C ATOM 327 C LEU A 620 1.074 0.334 -10.289 1.00 41.24 C ATOM 328 O LEU A 620 2.218 0.755 -10.454 1.00 23.31 O ATOM 329 CB LEU A 620 -0.115 -1.525 -11.466 1.00 70.24 C ATOM 330 CG LEU A 620 0.335 -1.009 -12.834 1.00 53.43 C ATOM 331 CD1 LEU A 620 1.026 -2.111 -13.621 1.00 75.43 C ATOM 332 CD2 LEU A 620 -0.852 -0.458 -13.612 1.00 31.43 C ATOM 0 H LEU A 620 -0.845 -1.740 -9.096 1.00 54.54 H new ATOM 0 HA LEU A 620 1.729 -1.699 -10.376 1.00 44.23 H new ATOM 0 HB2 LEU A 620 -0.195 -2.611 -11.518 1.00 70.24 H new ATOM 0 HB3 LEU A 620 -1.116 -1.141 -11.266 1.00 70.24 H new ATOM 0 HG LEU A 620 1.050 -0.201 -12.679 1.00 53.43 H new ATOM 0 HD11 LEU A 620 1.339 -1.724 -14.591 1.00 75.43 H new ATOM 0 HD12 LEU A 620 1.900 -2.458 -13.070 1.00 75.43 H new ATOM 0 HD13 LEU A 620 0.335 -2.942 -13.767 1.00 75.43 H new ATOM 0 HD21 LEU A 620 -0.514 -0.095 -14.583 1.00 31.43 H new ATOM 0 HD22 LEU A 620 -1.590 -1.247 -13.756 1.00 31.43 H new ATOM 0 HD23 LEU A 620 -1.303 0.363 -13.055 1.00 31.43 H new ATOM 344 N ASP A 621 0.029 1.134 -10.106 1.00 71.32 N ATOM 345 CA ASP A 621 0.170 2.584 -10.087 1.00 13.44 C ATOM 346 C ASP A 621 1.288 3.009 -9.139 1.00 34.03 C ATOM 347 O ASP A 621 2.275 3.614 -9.559 1.00 74.40 O ATOM 348 CB ASP A 621 -1.147 3.241 -9.668 1.00 62.11 C ATOM 349 CG ASP A 621 -1.170 4.729 -9.961 1.00 33.34 C ATOM 350 OD1 ASP A 621 -0.105 5.282 -10.306 1.00 60.21 O ATOM 351 OD2 ASP A 621 -2.253 5.340 -9.844 1.00 30.33 O ATOM 0 H ASP A 621 -0.925 0.802 -9.969 1.00 71.32 H new ATOM 0 HA ASP A 621 0.427 2.912 -11.094 1.00 13.44 H new ATOM 0 HB2 ASP A 621 -1.973 2.758 -10.190 1.00 62.11 H new ATOM 0 HB3 ASP A 621 -1.307 3.081 -8.602 1.00 62.11 H new ATOM 356 N ILE A 622 1.126 2.689 -7.860 1.00 34.12 N ATOM 357 CA ILE A 622 2.121 3.037 -6.853 1.00 60.02 C ATOM 358 C ILE A 622 3.516 2.598 -7.284 1.00 74.34 C ATOM 359 O ILE A 622 4.499 3.301 -7.053 1.00 72.40 O ATOM 360 CB ILE A 622 1.792 2.399 -5.492 1.00 33.45 C ATOM 361 CG1 ILE A 622 0.445 2.909 -4.976 1.00 72.33 C ATOM 362 CG2 ILE A 622 2.895 2.694 -4.487 1.00 50.22 C ATOM 363 CD1 ILE A 622 -0.153 2.045 -3.887 1.00 52.13 C ATOM 0 H ILE A 622 0.315 2.189 -7.496 1.00 34.12 H new ATOM 0 HA ILE A 622 2.100 4.122 -6.750 1.00 60.02 H new ATOM 0 HB ILE A 622 1.725 1.319 -5.622 1.00 33.45 H new ATOM 0 HG12 ILE A 622 0.571 3.923 -4.596 1.00 72.33 H new ATOM 0 HG13 ILE A 622 -0.256 2.966 -5.809 1.00 72.33 H new ATOM 0 HG21 ILE A 622 2.647 2.236 -3.530 1.00 50.22 H new ATOM 0 HG22 ILE A 622 3.838 2.286 -4.851 1.00 50.22 H new ATOM 0 HG23 ILE A 622 2.992 3.772 -4.359 1.00 50.22 H new ATOM 0 HD11 ILE A 622 -1.107 2.467 -3.570 1.00 52.13 H new ATOM 0 HD12 ILE A 622 -0.312 1.036 -4.269 1.00 52.13 H new ATOM 0 HD13 ILE A 622 0.528 2.008 -3.037 1.00 52.13 H new ATOM 375 N ASN A 623 3.593 1.431 -7.916 1.00 24.54 N ATOM 376 CA ASN A 623 4.868 0.897 -8.382 1.00 22.25 C ATOM 377 C ASN A 623 5.453 1.772 -9.486 1.00 63.51 C ATOM 378 O ASN A 623 6.670 1.924 -9.593 1.00 43.52 O ATOM 379 CB ASN A 623 4.691 -0.536 -8.890 1.00 0.44 C ATOM 380 CG ASN A 623 5.831 -0.977 -9.786 1.00 2.53 C ATOM 381 OD1 ASN A 623 5.687 -1.041 -11.007 1.00 24.33 O ATOM 382 ND2 ASN A 623 6.973 -1.283 -9.182 1.00 23.30 N ATOM 0 H ASN A 623 2.788 0.837 -8.117 1.00 24.54 H new ATOM 0 HA ASN A 623 5.561 0.893 -7.541 1.00 22.25 H new ATOM 0 HB2 ASN A 623 4.618 -1.214 -8.039 1.00 0.44 H new ATOM 0 HB3 ASN A 623 3.752 -0.611 -9.438 1.00 0.44 H new ATOM 0 HD21 ASN A 623 7.776 -1.586 -9.733 1.00 23.30 H new ATOM 0 HD22 ASN A 623 7.047 -1.215 -8.167 1.00 23.30 H new ATOM 389 N LYS A 624 4.578 2.343 -10.305 1.00 53.43 N ATOM 390 CA LYS A 624 5.006 3.205 -11.401 1.00 54.30 C ATOM 391 C LYS A 624 5.559 4.524 -10.872 1.00 64.14 C ATOM 392 O LYS A 624 6.425 5.141 -11.496 1.00 12.31 O ATOM 393 CB LYS A 624 3.836 3.476 -12.351 1.00 34.45 C ATOM 394 CG LYS A 624 4.267 3.968 -13.722 1.00 12.05 C ATOM 395 CD LYS A 624 3.083 4.476 -14.529 1.00 23.33 C ATOM 396 CE LYS A 624 3.318 4.315 -16.023 1.00 32.12 C ATOM 397 NZ LYS A 624 2.084 4.589 -16.811 1.00 3.41 N ATOM 0 H LYS A 624 3.568 2.225 -10.231 1.00 53.43 H new ATOM 0 HA LYS A 624 5.798 2.691 -11.946 1.00 54.30 H new ATOM 0 HB2 LYS A 624 3.255 2.561 -12.469 1.00 34.45 H new ATOM 0 HB3 LYS A 624 3.176 4.217 -11.899 1.00 34.45 H new ATOM 0 HG2 LYS A 624 5.001 4.766 -13.609 1.00 12.05 H new ATOM 0 HG3 LYS A 624 4.757 3.158 -14.263 1.00 12.05 H new ATOM 0 HD2 LYS A 624 2.184 3.932 -14.240 1.00 23.33 H new ATOM 0 HD3 LYS A 624 2.908 5.527 -14.298 1.00 23.33 H new ATOM 0 HE2 LYS A 624 4.110 4.993 -16.341 1.00 32.12 H new ATOM 0 HE3 LYS A 624 3.663 3.302 -16.229 1.00 32.12 H new ATOM 0 HZ1 LYS A 624 2.285 4.469 -17.824 1.00 3.41 H new ATOM 0 HZ2 LYS A 624 1.335 3.926 -16.526 1.00 3.41 H new ATOM 0 HZ3 LYS A 624 1.769 5.564 -16.634 1.00 3.41 H new ATOM 411 N LEU A 625 5.058 4.952 -9.719 1.00 21.45 N ATOM 412 CA LEU A 625 5.505 6.197 -9.104 1.00 53.34 C ATOM 413 C LEU A 625 6.947 6.080 -8.622 1.00 44.32 C ATOM 414 O LEU A 625 7.478 4.985 -8.434 1.00 55.15 O ATOM 415 CB LEU A 625 4.591 6.567 -7.934 1.00 65.00 C ATOM 416 CG LEU A 625 3.315 7.329 -8.294 1.00 21.03 C ATOM 417 CD1 LEU A 625 3.653 8.645 -8.976 1.00 52.42 C ATOM 418 CD2 LEU A 625 2.420 6.478 -9.183 1.00 51.43 C ATOM 0 H LEU A 625 4.341 4.455 -9.190 1.00 21.45 H new ATOM 0 HA LEU A 625 5.457 6.984 -9.857 1.00 53.34 H new ATOM 0 HB2 LEU A 625 4.309 5.651 -7.415 1.00 65.00 H new ATOM 0 HB3 LEU A 625 5.163 7.169 -7.228 1.00 65.00 H new ATOM 0 HG LEU A 625 2.774 7.550 -7.374 1.00 21.03 H new ATOM 0 HD11 LEU A 625 2.732 9.173 -9.225 1.00 52.42 H new ATOM 0 HD12 LEU A 625 4.253 9.259 -8.305 1.00 52.42 H new ATOM 0 HD13 LEU A 625 4.216 8.448 -9.888 1.00 52.42 H new ATOM 0 HD21 LEU A 625 1.516 7.035 -9.430 1.00 51.43 H new ATOM 0 HD22 LEU A 625 2.952 6.226 -10.100 1.00 51.43 H new ATOM 0 HD23 LEU A 625 2.149 5.563 -8.657 1.00 51.43 H new ATOM 430 N PRO A 626 7.597 7.234 -8.415 1.00 40.21 N ATOM 431 CA PRO A 626 8.986 7.288 -7.950 1.00 4.45 C ATOM 432 C PRO A 626 9.130 6.834 -6.501 1.00 35.22 C ATOM 433 O PRO A 626 8.146 6.748 -5.767 1.00 44.11 O ATOM 434 CB PRO A 626 9.349 8.769 -8.084 1.00 11.13 C ATOM 435 CG PRO A 626 8.047 9.488 -7.994 1.00 34.43 C ATOM 436 CD PRO A 626 7.027 8.577 -8.620 1.00 11.13 C ATOM 0 HA PRO A 626 9.633 6.623 -8.523 1.00 4.45 H new ATOM 0 HB2 PRO A 626 10.030 9.083 -7.293 1.00 11.13 H new ATOM 0 HB3 PRO A 626 9.848 8.970 -9.032 1.00 11.13 H new ATOM 0 HG2 PRO A 626 7.792 9.705 -6.957 1.00 34.43 H new ATOM 0 HG3 PRO A 626 8.091 10.443 -8.518 1.00 34.43 H new ATOM 0 HD2 PRO A 626 6.052 8.677 -8.143 1.00 11.13 H new ATOM 0 HD3 PRO A 626 6.888 8.797 -9.678 1.00 11.13 H new ATOM 444 N GLY A 627 10.362 6.545 -6.095 1.00 1.12 N ATOM 445 CA GLY A 627 10.612 6.104 -4.736 1.00 34.14 C ATOM 446 C GLY A 627 10.007 7.035 -3.704 1.00 21.12 C ATOM 447 O GLY A 627 9.325 6.590 -2.781 1.00 11.23 O ATOM 0 H GLY A 627 11.192 6.609 -6.684 1.00 1.12 H new ATOM 0 HA2 GLY A 627 10.203 5.103 -4.601 1.00 34.14 H new ATOM 0 HA3 GLY A 627 11.687 6.034 -4.572 1.00 34.14 H new ATOM 451 N GLU A 628 10.259 8.331 -3.859 1.00 24.32 N ATOM 452 CA GLU A 628 9.736 9.327 -2.930 1.00 63.13 C ATOM 453 C GLU A 628 8.241 9.129 -2.706 1.00 32.32 C ATOM 454 O GLU A 628 7.745 9.268 -1.587 1.00 53.34 O ATOM 455 CB GLU A 628 10.001 10.738 -3.458 1.00 61.33 C ATOM 456 CG GLU A 628 9.393 11.833 -2.600 1.00 40.44 C ATOM 457 CD GLU A 628 10.247 13.086 -2.560 1.00 11.20 C ATOM 458 OE1 GLU A 628 11.344 13.036 -1.965 1.00 32.22 O ATOM 459 OE2 GLU A 628 9.819 14.115 -3.124 1.00 20.52 O ATOM 0 H GLU A 628 10.821 8.716 -4.618 1.00 24.32 H new ATOM 0 HA GLU A 628 10.249 9.202 -1.976 1.00 63.13 H new ATOM 0 HB2 GLU A 628 11.077 10.896 -3.524 1.00 61.33 H new ATOM 0 HB3 GLU A 628 9.604 10.819 -4.470 1.00 61.33 H new ATOM 0 HG2 GLU A 628 8.404 12.084 -2.985 1.00 40.44 H new ATOM 0 HG3 GLU A 628 9.255 11.460 -1.585 1.00 40.44 H new ATOM 466 N LYS A 629 7.525 8.803 -3.777 1.00 21.41 N ATOM 467 CA LYS A 629 6.086 8.584 -3.699 1.00 22.41 C ATOM 468 C LYS A 629 5.770 7.316 -2.912 1.00 14.15 C ATOM 469 O LYS A 629 4.847 7.294 -2.096 1.00 62.02 O ATOM 470 CB LYS A 629 5.487 8.486 -5.104 1.00 63.40 C ATOM 471 CG LYS A 629 4.330 9.440 -5.340 1.00 54.51 C ATOM 472 CD LYS A 629 3.226 9.242 -4.315 1.00 1.32 C ATOM 473 CE LYS A 629 3.085 10.453 -3.406 1.00 11.23 C ATOM 474 NZ LYS A 629 1.906 10.335 -2.504 1.00 12.42 N ATOM 0 H LYS A 629 7.919 8.685 -4.710 1.00 21.41 H new ATOM 0 HA LYS A 629 5.643 9.434 -3.179 1.00 22.41 H new ATOM 0 HB2 LYS A 629 6.268 8.687 -5.837 1.00 63.40 H new ATOM 0 HB3 LYS A 629 5.145 7.465 -5.274 1.00 63.40 H new ATOM 0 HG2 LYS A 629 4.690 10.468 -5.295 1.00 54.51 H new ATOM 0 HG3 LYS A 629 3.929 9.287 -6.342 1.00 54.51 H new ATOM 0 HD2 LYS A 629 2.281 9.058 -4.827 1.00 1.32 H new ATOM 0 HD3 LYS A 629 3.440 8.358 -3.714 1.00 1.32 H new ATOM 0 HE2 LYS A 629 3.990 10.566 -2.808 1.00 11.23 H new ATOM 0 HE3 LYS A 629 2.989 11.353 -4.013 1.00 11.23 H new ATOM 0 HZ1 LYS A 629 1.845 11.180 -1.901 1.00 12.42 H new ATOM 0 HZ2 LYS A 629 1.040 10.253 -3.074 1.00 12.42 H new ATOM 0 HZ3 LYS A 629 2.009 9.490 -1.907 1.00 12.42 H new ATOM 488 N LEU A 630 6.541 6.263 -3.159 1.00 52.21 N ATOM 489 CA LEU A 630 6.345 4.992 -2.472 1.00 54.21 C ATOM 490 C LEU A 630 6.668 5.120 -0.987 1.00 54.12 C ATOM 491 O LEU A 630 5.974 4.559 -0.140 1.00 13.22 O ATOM 492 CB LEU A 630 7.218 3.908 -3.104 1.00 63.54 C ATOM 493 CG LEU A 630 6.813 2.462 -2.810 1.00 44.42 C ATOM 494 CD1 LEU A 630 6.910 1.614 -4.068 1.00 64.11 C ATOM 495 CD2 LEU A 630 7.681 1.880 -1.703 1.00 52.31 C ATOM 0 H LEU A 630 7.309 6.265 -3.831 1.00 52.21 H new ATOM 0 HA LEU A 630 5.297 4.710 -2.574 1.00 54.21 H new ATOM 0 HB2 LEU A 630 7.216 4.052 -4.184 1.00 63.54 H new ATOM 0 HB3 LEU A 630 8.244 4.053 -2.765 1.00 63.54 H new ATOM 0 HG LEU A 630 5.777 2.456 -2.473 1.00 44.42 H new ATOM 0 HD11 LEU A 630 6.618 0.589 -3.839 1.00 64.11 H new ATOM 0 HD12 LEU A 630 6.246 2.019 -4.832 1.00 64.11 H new ATOM 0 HD13 LEU A 630 7.936 1.626 -4.436 1.00 64.11 H new ATOM 0 HD21 LEU A 630 7.379 0.851 -1.507 1.00 52.31 H new ATOM 0 HD22 LEU A 630 8.726 1.899 -2.012 1.00 52.31 H new ATOM 0 HD23 LEU A 630 7.560 2.473 -0.796 1.00 52.31 H new ATOM 507 N GLY A 631 7.725 5.864 -0.679 1.00 1.41 N ATOM 508 CA GLY A 631 8.120 6.056 0.705 1.00 61.43 C ATOM 509 C GLY A 631 6.977 6.545 1.572 1.00 52.41 C ATOM 510 O GLY A 631 6.825 6.110 2.714 1.00 3.51 O ATOM 0 H GLY A 631 8.315 6.338 -1.363 1.00 1.41 H new ATOM 0 HA2 GLY A 631 8.499 5.116 1.105 1.00 61.43 H new ATOM 0 HA3 GLY A 631 8.939 6.774 0.750 1.00 61.43 H new ATOM 514 N ARG A 632 6.173 7.454 1.030 1.00 73.53 N ATOM 515 CA ARG A 632 5.039 8.005 1.763 1.00 2.14 C ATOM 516 C ARG A 632 3.933 6.966 1.917 1.00 65.20 C ATOM 517 O ARG A 632 3.261 6.906 2.946 1.00 1.52 O ATOM 518 CB ARG A 632 4.496 9.243 1.048 1.00 52.32 C ATOM 519 CG ARG A 632 5.291 10.508 1.328 1.00 0.34 C ATOM 520 CD ARG A 632 5.152 11.516 0.197 1.00 31.34 C ATOM 521 NE ARG A 632 6.188 12.544 0.251 1.00 64.14 N ATOM 522 CZ ARG A 632 6.236 13.582 -0.576 1.00 62.20 C ATOM 523 NH1 ARG A 632 5.313 13.729 -1.516 1.00 35.41 N ATOM 524 NH2 ARG A 632 7.210 14.476 -0.465 1.00 64.01 N ATOM 0 H ARG A 632 6.286 7.824 0.086 1.00 73.53 H new ATOM 0 HA ARG A 632 5.385 8.290 2.757 1.00 2.14 H new ATOM 0 HB2 ARG A 632 4.491 9.058 -0.026 1.00 52.32 H new ATOM 0 HB3 ARG A 632 3.461 9.401 1.350 1.00 52.32 H new ATOM 0 HG2 ARG A 632 4.947 10.956 2.260 1.00 0.34 H new ATOM 0 HG3 ARG A 632 6.343 10.255 1.464 1.00 0.34 H new ATOM 0 HD2 ARG A 632 5.206 10.997 -0.760 1.00 31.34 H new ATOM 0 HD3 ARG A 632 4.170 11.987 0.250 1.00 31.34 H new ATOM 0 HE ARG A 632 6.914 12.460 0.962 1.00 64.14 H new ATOM 0 HH11 ARG A 632 4.563 13.044 -1.606 1.00 35.41 H new ATOM 0 HH12 ARG A 632 5.353 14.527 -2.149 1.00 35.41 H new ATOM 0 HH21 ARG A 632 7.923 14.366 0.256 1.00 64.01 H new ATOM 0 HH22 ARG A 632 7.246 15.273 -1.101 1.00 64.01 H new ATOM 538 N VAL A 633 3.749 6.148 0.885 1.00 14.04 N ATOM 539 CA VAL A 633 2.725 5.111 0.905 1.00 35.03 C ATOM 540 C VAL A 633 2.996 4.092 2.005 1.00 22.35 C ATOM 541 O VAL A 633 2.160 3.869 2.880 1.00 35.04 O ATOM 542 CB VAL A 633 2.640 4.380 -0.448 1.00 72.31 C ATOM 543 CG1 VAL A 633 1.539 3.331 -0.420 1.00 70.34 C ATOM 544 CG2 VAL A 633 2.413 5.373 -1.577 1.00 54.04 C ATOM 0 H VAL A 633 4.296 6.184 0.025 1.00 14.04 H new ATOM 0 HA VAL A 633 1.775 5.608 1.101 1.00 35.03 H new ATOM 0 HB VAL A 633 3.588 3.872 -0.627 1.00 72.31 H new ATOM 0 HG11 VAL A 633 1.494 2.825 -1.384 1.00 70.34 H new ATOM 0 HG12 VAL A 633 1.751 2.602 0.363 1.00 70.34 H new ATOM 0 HG13 VAL A 633 0.582 3.813 -0.218 1.00 70.34 H new ATOM 0 HG21 VAL A 633 2.356 4.839 -2.525 1.00 54.04 H new ATOM 0 HG22 VAL A 633 1.480 5.911 -1.406 1.00 54.04 H new ATOM 0 HG23 VAL A 633 3.240 6.082 -1.610 1.00 54.04 H new ATOM 554 N VAL A 634 4.173 3.474 1.955 1.00 11.12 N ATOM 555 CA VAL A 634 4.557 2.479 2.950 1.00 51.52 C ATOM 556 C VAL A 634 4.361 3.012 4.365 1.00 72.14 C ATOM 557 O VAL A 634 4.006 2.265 5.277 1.00 43.42 O ATOM 558 CB VAL A 634 6.024 2.047 2.773 1.00 44.41 C ATOM 559 CG1 VAL A 634 6.936 3.264 2.711 1.00 73.03 C ATOM 560 CG2 VAL A 634 6.444 1.114 3.899 1.00 0.24 C ATOM 0 H VAL A 634 4.876 3.645 1.236 1.00 11.12 H new ATOM 0 HA VAL A 634 3.911 1.614 2.799 1.00 51.52 H new ATOM 0 HB VAL A 634 6.114 1.507 1.831 1.00 44.41 H new ATOM 0 HG11 VAL A 634 7.969 2.939 2.586 1.00 73.03 H new ATOM 0 HG12 VAL A 634 6.648 3.892 1.868 1.00 73.03 H new ATOM 0 HG13 VAL A 634 6.845 3.834 3.635 1.00 73.03 H new ATOM 0 HG21 VAL A 634 7.484 0.819 3.758 1.00 0.24 H new ATOM 0 HG22 VAL A 634 6.339 1.627 4.855 1.00 0.24 H new ATOM 0 HG23 VAL A 634 5.811 0.227 3.892 1.00 0.24 H new ATOM 570 N HIS A 635 4.595 4.308 4.541 1.00 74.11 N ATOM 571 CA HIS A 635 4.443 4.942 5.845 1.00 4.12 C ATOM 572 C HIS A 635 2.997 4.862 6.324 1.00 74.42 C ATOM 573 O HIS A 635 2.735 4.744 7.521 1.00 12.40 O ATOM 574 CB HIS A 635 4.891 6.403 5.781 1.00 24.21 C ATOM 575 CG HIS A 635 6.305 6.616 6.230 1.00 51.42 C ATOM 576 ND1 HIS A 635 7.323 6.964 5.369 1.00 62.05 N ATOM 577 CD2 HIS A 635 6.866 6.530 7.458 1.00 25.41 C ATOM 578 CE1 HIS A 635 8.450 7.082 6.048 1.00 63.54 C ATOM 579 NE2 HIS A 635 8.200 6.824 7.318 1.00 70.01 N ATOM 0 H HIS A 635 4.891 4.940 3.797 1.00 74.11 H new ATOM 0 HA HIS A 635 5.073 4.407 6.556 1.00 4.12 H new ATOM 0 HB2 HIS A 635 4.785 6.762 4.757 1.00 24.21 H new ATOM 0 HB3 HIS A 635 4.227 7.006 6.401 1.00 24.21 H new ATOM 0 HD1 HIS A 635 7.222 7.108 4.364 1.00 62.05 H new ATOM 0 HD2 HIS A 635 6.359 6.277 8.377 1.00 25.41 H new ATOM 0 HE1 HIS A 635 9.412 7.345 5.634 1.00 63.54 H new ATOM 587 N ILE A 636 2.063 4.927 5.381 1.00 10.44 N ATOM 588 CA ILE A 636 0.644 4.861 5.707 1.00 15.40 C ATOM 589 C ILE A 636 0.277 3.503 6.296 1.00 1.44 C ATOM 590 O ILE A 636 -0.300 3.421 7.381 1.00 52.33 O ATOM 591 CB ILE A 636 -0.231 5.124 4.467 1.00 32.43 C ATOM 592 CG1 ILE A 636 0.339 6.284 3.649 1.00 3.12 C ATOM 593 CG2 ILE A 636 -1.665 5.416 4.883 1.00 14.41 C ATOM 594 CD1 ILE A 636 -0.622 6.823 2.613 1.00 30.20 C ATOM 0 H ILE A 636 2.263 5.025 4.386 1.00 10.44 H new ATOM 0 HA ILE A 636 0.454 5.638 6.447 1.00 15.40 H new ATOM 0 HB ILE A 636 -0.229 4.230 3.843 1.00 32.43 H new ATOM 0 HG12 ILE A 636 0.621 7.091 4.326 1.00 3.12 H new ATOM 0 HG13 ILE A 636 1.250 5.953 3.150 1.00 3.12 H new ATOM 0 HG21 ILE A 636 -2.271 5.600 3.996 1.00 14.41 H new ATOM 0 HG22 ILE A 636 -2.067 4.561 5.427 1.00 14.41 H new ATOM 0 HG23 ILE A 636 -1.685 6.297 5.525 1.00 14.41 H new ATOM 0 HD11 ILE A 636 -0.151 7.643 2.071 1.00 30.20 H new ATOM 0 HD12 ILE A 636 -0.885 6.030 1.913 1.00 30.20 H new ATOM 0 HD13 ILE A 636 -1.524 7.185 3.107 1.00 30.20 H new ATOM 606 N ILE A 637 0.618 2.440 5.574 1.00 13.12 N ATOM 607 CA ILE A 637 0.326 1.086 6.027 1.00 25.34 C ATOM 608 C ILE A 637 0.903 0.834 7.416 1.00 1.54 C ATOM 609 O ILE A 637 0.198 0.387 8.320 1.00 61.40 O ATOM 610 CB ILE A 637 0.889 0.034 5.053 1.00 13.20 C ATOM 611 CG1 ILE A 637 0.157 0.108 3.711 1.00 14.23 C ATOM 612 CG2 ILE A 637 0.770 -1.360 5.651 1.00 13.21 C ATOM 613 CD1 ILE A 637 0.804 1.049 2.720 1.00 4.44 C ATOM 0 H ILE A 637 1.096 2.491 4.674 1.00 13.12 H new ATOM 0 HA ILE A 637 -0.759 0.993 6.064 1.00 25.34 H new ATOM 0 HB ILE A 637 1.945 0.246 4.883 1.00 13.20 H new ATOM 0 HG12 ILE A 637 0.112 -0.890 3.276 1.00 14.23 H new ATOM 0 HG13 ILE A 637 -0.871 0.427 3.884 1.00 14.23 H new ATOM 0 HG21 ILE A 637 1.172 -2.092 4.951 1.00 13.21 H new ATOM 0 HG22 ILE A 637 1.331 -1.405 6.584 1.00 13.21 H new ATOM 0 HG23 ILE A 637 -0.279 -1.583 5.847 1.00 13.21 H new ATOM 0 HD11 ILE A 637 0.232 1.050 1.792 1.00 4.44 H new ATOM 0 HD12 ILE A 637 0.825 2.057 3.135 1.00 4.44 H new ATOM 0 HD13 ILE A 637 1.823 0.719 2.517 1.00 4.44 H new ATOM 625 N GLN A 638 2.190 1.128 7.580 1.00 54.33 N ATOM 626 CA GLN A 638 2.860 0.935 8.860 1.00 42.14 C ATOM 627 C GLN A 638 2.312 1.893 9.912 1.00 54.33 C ATOM 628 O GLN A 638 2.554 1.723 11.106 1.00 3.31 O ATOM 629 CB GLN A 638 4.368 1.140 8.704 1.00 23.45 C ATOM 630 CG GLN A 638 4.753 2.557 8.310 1.00 33.02 C ATOM 631 CD GLN A 638 6.214 2.679 7.926 1.00 70.35 C ATOM 632 OE1 GLN A 638 6.932 3.542 8.432 1.00 11.12 O ATOM 633 NE2 GLN A 638 6.664 1.814 7.024 1.00 33.01 N ATOM 0 H GLN A 638 2.788 1.500 6.842 1.00 54.33 H new ATOM 0 HA GLN A 638 2.670 -0.086 9.191 1.00 42.14 H new ATOM 0 HB2 GLN A 638 4.860 0.887 9.643 1.00 23.45 H new ATOM 0 HB3 GLN A 638 4.744 0.448 7.951 1.00 23.45 H new ATOM 0 HG2 GLN A 638 4.133 2.878 7.473 1.00 33.02 H new ATOM 0 HG3 GLN A 638 4.542 3.231 9.140 1.00 33.02 H new ATOM 0 HE21 GLN A 638 6.035 1.115 6.630 1.00 33.01 H new ATOM 0 HE22 GLN A 638 7.639 1.849 6.726 1.00 33.01 H new ATOM 642 N SER A 639 1.570 2.899 9.460 1.00 73.14 N ATOM 643 CA SER A 639 0.989 3.887 10.363 1.00 61.51 C ATOM 644 C SER A 639 -0.385 3.437 10.848 1.00 72.21 C ATOM 645 O SER A 639 -0.676 3.472 12.043 1.00 11.33 O ATOM 646 CB SER A 639 0.878 5.244 9.664 1.00 35.34 C ATOM 647 OG SER A 639 -0.197 6.001 10.193 1.00 55.54 O ATOM 0 H SER A 639 1.357 3.052 8.474 1.00 73.14 H new ATOM 0 HA SER A 639 1.646 3.985 11.228 1.00 61.51 H new ATOM 0 HB2 SER A 639 1.810 5.796 9.784 1.00 35.34 H new ATOM 0 HB3 SER A 639 0.731 5.095 8.594 1.00 35.34 H new ATOM 0 HG SER A 639 -0.247 6.864 9.732 1.00 55.54 H new ATOM 653 N ARG A 640 -1.227 3.014 9.911 1.00 72.32 N ATOM 654 CA ARG A 640 -2.573 2.558 10.241 1.00 22.13 C ATOM 655 C ARG A 640 -2.546 1.128 10.774 1.00 21.05 C ATOM 656 O ARG A 640 -3.387 0.744 11.586 1.00 71.42 O ATOM 657 CB ARG A 640 -3.479 2.639 9.012 1.00 63.53 C ATOM 658 CG ARG A 640 -4.058 4.023 8.771 1.00 5.12 C ATOM 659 CD ARG A 640 -2.971 5.032 8.439 1.00 61.12 C ATOM 660 NE ARG A 640 -3.523 6.290 7.944 1.00 55.22 N ATOM 661 CZ ARG A 640 -4.179 7.156 8.708 1.00 24.21 C ATOM 662 NH1 ARG A 640 -4.361 6.903 9.996 1.00 15.22 N ATOM 663 NH2 ARG A 640 -4.653 8.279 8.183 1.00 1.23 N ATOM 0 H ARG A 640 -1.001 2.977 8.917 1.00 72.32 H new ATOM 0 HA ARG A 640 -2.970 3.211 11.019 1.00 22.13 H new ATOM 0 HB2 ARG A 640 -2.912 2.334 8.133 1.00 63.53 H new ATOM 0 HB3 ARG A 640 -4.297 1.927 9.127 1.00 63.53 H new ATOM 0 HG2 ARG A 640 -4.778 3.980 7.954 1.00 5.12 H new ATOM 0 HG3 ARG A 640 -4.601 4.351 9.657 1.00 5.12 H new ATOM 0 HD2 ARG A 640 -2.372 5.225 9.329 1.00 61.12 H new ATOM 0 HD3 ARG A 640 -2.302 4.610 7.689 1.00 61.12 H new ATOM 0 HE ARG A 640 -3.398 6.516 6.957 1.00 55.22 H new ATOM 0 HH11 ARG A 640 -3.997 6.041 10.403 1.00 15.22 H new ATOM 0 HH12 ARG A 640 -4.865 7.570 10.580 1.00 15.22 H new ATOM 0 HH21 ARG A 640 -4.514 8.477 7.192 1.00 1.23 H new ATOM 0 HH22 ARG A 640 -5.157 8.944 8.770 1.00 1.23 H new ATOM 677 N GLU A 641 -1.576 0.347 10.311 1.00 43.30 N ATOM 678 CA GLU A 641 -1.441 -1.040 10.740 1.00 34.22 C ATOM 679 C GLU A 641 -0.442 -1.161 11.886 1.00 63.02 C ATOM 680 O GLU A 641 0.771 -1.054 11.699 1.00 20.21 O ATOM 681 CB GLU A 641 -1.000 -1.920 9.568 1.00 0.44 C ATOM 682 CG GLU A 641 -1.440 -3.368 9.695 1.00 32.22 C ATOM 683 CD GLU A 641 -2.948 -3.516 9.775 1.00 41.21 C ATOM 684 OE1 GLU A 641 -3.647 -2.934 8.920 1.00 21.43 O ATOM 685 OE2 GLU A 641 -3.427 -4.213 10.694 1.00 40.21 O ATOM 0 H GLU A 641 -0.872 0.651 9.639 1.00 43.30 H new ATOM 0 HA GLU A 641 -2.415 -1.380 11.093 1.00 34.22 H new ATOM 0 HB2 GLU A 641 -1.402 -1.507 8.643 1.00 0.44 H new ATOM 0 HB3 GLU A 641 0.086 -1.885 9.487 1.00 0.44 H new ATOM 0 HG2 GLU A 641 -1.068 -3.933 8.840 1.00 32.22 H new ATOM 0 HG3 GLU A 641 -0.988 -3.804 10.586 1.00 32.22 H new ATOM 797 N PRO A 649 11.670 -0.115 10.130 1.00 44.41 N ATOM 798 CA PRO A 649 10.799 0.600 9.192 1.00 2.23 C ATOM 799 C PRO A 649 11.240 0.424 7.743 1.00 13.45 C ATOM 800 O PRO A 649 10.534 0.826 6.817 1.00 43.31 O ATOM 801 CB PRO A 649 10.940 2.062 9.620 1.00 5.25 C ATOM 802 CG PRO A 649 12.274 2.137 10.281 1.00 60.44 C ATOM 803 CD PRO A 649 12.481 0.804 10.946 1.00 41.34 C ATOM 0 HA PRO A 649 9.774 0.230 9.224 1.00 2.23 H new ATOM 0 HB2 PRO A 649 10.885 2.733 8.762 1.00 5.25 H new ATOM 0 HB3 PRO A 649 10.143 2.353 10.304 1.00 5.25 H new ATOM 0 HG2 PRO A 649 13.060 2.336 9.553 1.00 60.44 H new ATOM 0 HG3 PRO A 649 12.303 2.946 11.011 1.00 60.44 H new ATOM 0 HD2 PRO A 649 13.532 0.516 10.950 1.00 41.34 H new ATOM 0 HD3 PRO A 649 12.150 0.817 11.984 1.00 41.34 H new ATOM 811 N ASP A 650 12.408 -0.179 7.554 1.00 33.22 N ATOM 812 CA ASP A 650 12.941 -0.410 6.216 1.00 31.52 C ATOM 813 C ASP A 650 12.248 -1.595 5.551 1.00 15.24 C ATOM 814 O ASP A 650 12.518 -1.914 4.394 1.00 74.13 O ATOM 815 CB ASP A 650 14.450 -0.657 6.282 1.00 53.54 C ATOM 816 CG ASP A 650 14.848 -1.974 5.647 1.00 30.44 C ATOM 817 OD1 ASP A 650 15.090 -1.996 4.422 1.00 53.22 O ATOM 818 OD2 ASP A 650 14.920 -2.985 6.377 1.00 20.41 O ATOM 0 H ASP A 650 13.004 -0.517 8.310 1.00 33.22 H new ATOM 0 HA ASP A 650 12.751 0.481 5.617 1.00 31.52 H new ATOM 0 HB2 ASP A 650 14.971 0.158 5.779 1.00 53.54 H new ATOM 0 HB3 ASP A 650 14.772 -0.647 7.323 1.00 53.54 H new ATOM 823 N GLU A 651 11.355 -2.244 6.292 1.00 13.25 N ATOM 824 CA GLU A 651 10.625 -3.395 5.775 1.00 40.03 C ATOM 825 C GLU A 651 9.160 -3.346 6.200 1.00 72.24 C ATOM 826 O GLU A 651 8.848 -3.079 7.361 1.00 62.54 O ATOM 827 CB GLU A 651 11.266 -4.695 6.262 1.00 31.35 C ATOM 828 CG GLU A 651 10.745 -5.934 5.554 1.00 43.34 C ATOM 829 CD GLU A 651 11.001 -7.206 6.338 1.00 24.24 C ATOM 830 OE1 GLU A 651 11.404 -7.105 7.516 1.00 42.15 O ATOM 831 OE2 GLU A 651 10.799 -8.302 5.775 1.00 53.23 O ATOM 0 H GLU A 651 11.120 -1.992 7.252 1.00 13.25 H new ATOM 0 HA GLU A 651 10.671 -3.362 4.686 1.00 40.03 H new ATOM 0 HB2 GLU A 651 12.345 -4.633 6.121 1.00 31.35 H new ATOM 0 HB3 GLU A 651 11.090 -4.798 7.333 1.00 31.35 H new ATOM 0 HG2 GLU A 651 9.674 -5.827 5.383 1.00 43.34 H new ATOM 0 HG3 GLU A 651 11.218 -6.014 4.575 1.00 43.34 H new ATOM 838 N ILE A 652 8.266 -3.606 5.251 1.00 1.40 N ATOM 839 CA ILE A 652 6.835 -3.592 5.528 1.00 41.04 C ATOM 840 C ILE A 652 6.115 -4.690 4.752 1.00 4.30 C ATOM 841 O ILE A 652 6.475 -4.999 3.617 1.00 35.30 O ATOM 842 CB ILE A 652 6.206 -2.231 5.171 1.00 34.44 C ATOM 843 CG1 ILE A 652 5.208 -1.809 6.252 1.00 5.53 C ATOM 844 CG2 ILE A 652 5.525 -2.302 3.813 1.00 42.21 C ATOM 845 CD1 ILE A 652 3.957 -1.164 5.699 1.00 14.34 C ATOM 0 H ILE A 652 8.507 -3.828 4.285 1.00 1.40 H new ATOM 0 HA ILE A 652 6.718 -3.768 6.597 1.00 41.04 H new ATOM 0 HB ILE A 652 6.997 -1.483 5.120 1.00 34.44 H new ATOM 0 HG12 ILE A 652 4.927 -2.684 6.838 1.00 5.53 H new ATOM 0 HG13 ILE A 652 5.696 -1.112 6.934 1.00 5.53 H new ATOM 0 HG21 ILE A 652 5.086 -1.333 3.575 1.00 42.21 H new ATOM 0 HG22 ILE A 652 6.259 -2.564 3.051 1.00 42.21 H new ATOM 0 HG23 ILE A 652 4.741 -3.059 3.838 1.00 42.21 H new ATOM 0 HD11 ILE A 652 3.295 -0.890 6.521 1.00 14.34 H new ATOM 0 HD12 ILE A 652 4.227 -0.270 5.137 1.00 14.34 H new ATOM 0 HD13 ILE A 652 3.446 -1.866 5.040 1.00 14.34 H new ATOM 857 N GLU A 653 5.096 -5.275 5.373 1.00 15.43 N ATOM 858 CA GLU A 653 4.325 -6.338 4.741 1.00 73.14 C ATOM 859 C GLU A 653 2.884 -5.897 4.501 1.00 41.52 C ATOM 860 O GLU A 653 2.054 -5.931 5.410 1.00 55.45 O ATOM 861 CB GLU A 653 4.345 -7.599 5.607 1.00 1.52 C ATOM 862 CG GLU A 653 4.430 -8.887 4.807 1.00 73.45 C ATOM 863 CD GLU A 653 4.592 -10.112 5.686 1.00 1.03 C ATOM 864 OE1 GLU A 653 3.665 -10.408 6.467 1.00 22.43 O ATOM 865 OE2 GLU A 653 5.647 -10.773 5.592 1.00 22.31 O ATOM 0 H GLU A 653 4.785 -5.030 6.313 1.00 15.43 H new ATOM 0 HA GLU A 653 4.785 -6.560 3.778 1.00 73.14 H new ATOM 0 HB2 GLU A 653 5.194 -7.548 6.288 1.00 1.52 H new ATOM 0 HB3 GLU A 653 3.445 -7.622 6.221 1.00 1.52 H new ATOM 0 HG2 GLU A 653 3.529 -8.995 4.203 1.00 73.45 H new ATOM 0 HG3 GLU A 653 5.271 -8.826 4.117 1.00 73.45 H new ATOM 872 N ILE A 654 2.595 -5.483 3.271 1.00 24.31 N ATOM 873 CA ILE A 654 1.256 -5.036 2.912 1.00 52.42 C ATOM 874 C ILE A 654 0.447 -6.168 2.288 1.00 52.53 C ATOM 875 O ILE A 654 0.704 -6.578 1.155 1.00 33.22 O ATOM 876 CB ILE A 654 1.303 -3.851 1.928 1.00 32.33 C ATOM 877 CG1 ILE A 654 2.373 -2.846 2.357 1.00 21.31 C ATOM 878 CG2 ILE A 654 -0.060 -3.179 1.843 1.00 4.40 C ATOM 879 CD1 ILE A 654 2.454 -1.630 1.462 1.00 14.41 C ATOM 0 H ILE A 654 3.271 -5.448 2.508 1.00 24.31 H new ATOM 0 HA ILE A 654 0.773 -4.713 3.835 1.00 52.42 H new ATOM 0 HB ILE A 654 1.562 -4.229 0.939 1.00 32.33 H new ATOM 0 HG12 ILE A 654 2.168 -2.523 3.378 1.00 21.31 H new ATOM 0 HG13 ILE A 654 3.343 -3.343 2.369 1.00 21.31 H new ATOM 0 HG21 ILE A 654 -0.011 -2.344 1.144 1.00 4.40 H new ATOM 0 HG22 ILE A 654 -0.800 -3.900 1.496 1.00 4.40 H new ATOM 0 HG23 ILE A 654 -0.346 -2.811 2.828 1.00 4.40 H new ATOM 0 HD11 ILE A 654 3.234 -0.961 1.826 1.00 14.41 H new ATOM 0 HD12 ILE A 654 2.690 -1.942 0.445 1.00 14.41 H new ATOM 0 HD13 ILE A 654 1.497 -1.109 1.469 1.00 14.41 H new ATOM 891 N ASP A 655 -0.533 -6.668 3.032 1.00 11.02 N ATOM 892 CA ASP A 655 -1.383 -7.751 2.552 1.00 44.24 C ATOM 893 C ASP A 655 -2.857 -7.369 2.648 1.00 24.10 C ATOM 894 O ASP A 655 -3.473 -7.495 3.705 1.00 11.24 O ATOM 895 CB ASP A 655 -1.120 -9.027 3.353 1.00 60.41 C ATOM 896 CG ASP A 655 -1.806 -10.239 2.754 1.00 52.15 C ATOM 897 OD1 ASP A 655 -2.550 -10.070 1.764 1.00 34.25 O ATOM 898 OD2 ASP A 655 -1.598 -11.355 3.272 1.00 64.41 O ATOM 0 H ASP A 655 -0.759 -6.340 3.971 1.00 11.02 H new ATOM 0 HA ASP A 655 -1.142 -7.933 1.505 1.00 44.24 H new ATOM 0 HB2 ASP A 655 -0.046 -9.208 3.401 1.00 60.41 H new ATOM 0 HB3 ASP A 655 -1.465 -8.887 4.377 1.00 60.41 H new ATOM 903 N PHE A 656 -3.415 -6.902 1.536 1.00 33.03 N ATOM 904 CA PHE A 656 -4.816 -6.499 1.495 1.00 31.42 C ATOM 905 C PHE A 656 -5.723 -7.643 1.938 1.00 31.14 C ATOM 906 O PHE A 656 -6.852 -7.419 2.375 1.00 31.43 O ATOM 907 CB PHE A 656 -5.198 -6.049 0.083 1.00 4.32 C ATOM 908 CG PHE A 656 -4.357 -4.916 -0.431 1.00 61.13 C ATOM 909 CD1 PHE A 656 -3.672 -4.089 0.444 1.00 25.25 C ATOM 910 CD2 PHE A 656 -4.250 -4.677 -1.793 1.00 33.24 C ATOM 911 CE1 PHE A 656 -2.898 -3.046 -0.027 1.00 63.52 C ATOM 912 CE2 PHE A 656 -3.478 -3.636 -2.270 1.00 63.21 C ATOM 913 CZ PHE A 656 -2.799 -2.819 -1.386 1.00 31.44 C ATOM 0 H PHE A 656 -2.919 -6.793 0.652 1.00 33.03 H new ATOM 0 HA PHE A 656 -4.949 -5.665 2.184 1.00 31.42 H new ATOM 0 HB2 PHE A 656 -5.108 -6.896 -0.597 1.00 4.32 H new ATOM 0 HB3 PHE A 656 -6.245 -5.746 0.077 1.00 4.32 H new ATOM 0 HD1 PHE A 656 -3.744 -4.262 1.508 1.00 25.25 H new ATOM 0 HD2 PHE A 656 -4.777 -5.313 -2.489 1.00 33.24 H new ATOM 0 HE1 PHE A 656 -2.371 -2.408 0.667 1.00 63.52 H new ATOM 0 HE2 PHE A 656 -3.405 -3.460 -3.333 1.00 63.21 H new ATOM 0 HZ PHE A 656 -2.193 -2.006 -1.757 1.00 31.44 H new ATOM 923 N GLU A 657 -5.221 -8.869 1.822 1.00 61.11 N ATOM 924 CA GLU A 657 -5.987 -10.048 2.209 1.00 13.30 C ATOM 925 C GLU A 657 -6.435 -9.951 3.665 1.00 72.32 C ATOM 926 O GLU A 657 -7.501 -10.447 4.033 1.00 12.40 O ATOM 927 CB GLU A 657 -5.154 -11.315 2.004 1.00 53.25 C ATOM 928 CG GLU A 657 -5.990 -12.562 1.777 1.00 33.41 C ATOM 929 CD GLU A 657 -5.219 -13.839 2.052 1.00 32.13 C ATOM 930 OE1 GLU A 657 -4.586 -13.930 3.124 1.00 5.54 O ATOM 931 OE2 GLU A 657 -5.250 -14.747 1.196 1.00 20.11 O ATOM 0 H GLU A 657 -4.288 -9.071 1.463 1.00 61.11 H new ATOM 0 HA GLU A 657 -6.873 -10.098 1.576 1.00 13.30 H new ATOM 0 HB2 GLU A 657 -4.493 -11.171 1.150 1.00 53.25 H new ATOM 0 HB3 GLU A 657 -4.519 -11.467 2.877 1.00 53.25 H new ATOM 0 HG2 GLU A 657 -6.870 -12.527 2.420 1.00 33.41 H new ATOM 0 HG3 GLU A 657 -6.348 -12.573 0.748 1.00 33.41 H new ATOM 938 N THR A 658 -5.613 -9.310 4.489 1.00 12.00 N ATOM 939 CA THR A 658 -5.923 -9.149 5.904 1.00 21.41 C ATOM 940 C THR A 658 -6.032 -7.676 6.280 1.00 11.10 C ATOM 941 O THR A 658 -6.703 -7.319 7.249 1.00 11.02 O ATOM 942 CB THR A 658 -4.855 -9.815 6.793 1.00 65.23 C ATOM 943 OG1 THR A 658 -5.057 -9.447 8.161 1.00 1.14 O ATOM 944 CG2 THR A 658 -3.456 -9.408 6.353 1.00 34.13 C ATOM 0 H THR A 658 -4.727 -8.894 4.201 1.00 12.00 H new ATOM 0 HA THR A 658 -6.883 -9.637 6.073 1.00 21.41 H new ATOM 0 HB THR A 658 -4.951 -10.896 6.691 1.00 65.23 H new ATOM 0 HG1 THR A 658 -4.375 -9.876 8.719 1.00 1.14 H new ATOM 0 HG21 THR A 658 -2.718 -9.890 6.995 1.00 34.13 H new ATOM 0 HG22 THR A 658 -3.295 -9.716 5.320 1.00 34.13 H new ATOM 0 HG23 THR A 658 -3.351 -8.326 6.429 1.00 34.13 H new ATOM 952 N LEU A 659 -5.370 -6.822 5.506 1.00 12.02 N ATOM 953 CA LEU A 659 -5.394 -5.385 5.756 1.00 14.13 C ATOM 954 C LEU A 659 -6.826 -4.864 5.806 1.00 74.20 C ATOM 955 O LEU A 659 -7.746 -5.493 5.281 1.00 33.43 O ATOM 956 CB LEU A 659 -4.607 -4.646 4.674 1.00 72.15 C ATOM 957 CG LEU A 659 -3.442 -3.784 5.160 1.00 23.32 C ATOM 958 CD1 LEU A 659 -2.118 -4.499 4.935 1.00 31.32 C ATOM 959 CD2 LEU A 659 -3.446 -2.434 4.458 1.00 34.03 C ATOM 0 H LEU A 659 -4.810 -7.100 4.700 1.00 12.02 H new ATOM 0 HA LEU A 659 -4.928 -5.202 6.724 1.00 14.13 H new ATOM 0 HB2 LEU A 659 -4.219 -5.381 3.969 1.00 72.15 H new ATOM 0 HB3 LEU A 659 -5.298 -4.009 4.122 1.00 72.15 H new ATOM 0 HG LEU A 659 -3.564 -3.615 6.230 1.00 23.32 H new ATOM 0 HD11 LEU A 659 -1.300 -3.870 5.287 1.00 31.32 H new ATOM 0 HD12 LEU A 659 -2.115 -5.440 5.485 1.00 31.32 H new ATOM 0 HD13 LEU A 659 -1.989 -4.700 3.871 1.00 31.32 H new ATOM 0 HD21 LEU A 659 -2.609 -1.835 4.817 1.00 34.03 H new ATOM 0 HD22 LEU A 659 -3.350 -2.583 3.382 1.00 34.03 H new ATOM 0 HD23 LEU A 659 -4.381 -1.916 4.671 1.00 34.03 H new ATOM 971 N LYS A 660 -7.010 -3.710 6.439 1.00 65.43 N ATOM 972 CA LYS A 660 -8.330 -3.101 6.553 1.00 30.42 C ATOM 973 C LYS A 660 -8.615 -2.190 5.364 1.00 42.02 C ATOM 974 O LYS A 660 -7.710 -1.780 4.635 1.00 73.13 O ATOM 975 CB LYS A 660 -8.435 -2.306 7.856 1.00 14.43 C ATOM 976 CG LYS A 660 -9.086 -3.079 8.991 1.00 64.22 C ATOM 977 CD LYS A 660 -9.828 -2.155 9.941 1.00 12.41 C ATOM 978 CE LYS A 660 -10.145 -2.847 11.257 1.00 33.55 C ATOM 979 NZ LYS A 660 -11.501 -2.490 11.760 1.00 43.14 N ATOM 0 H LYS A 660 -6.261 -3.177 6.881 1.00 65.43 H new ATOM 0 HA LYS A 660 -9.072 -3.900 6.560 1.00 30.42 H new ATOM 0 HB2 LYS A 660 -7.436 -1.997 8.164 1.00 14.43 H new ATOM 0 HB3 LYS A 660 -9.007 -1.397 7.672 1.00 14.43 H new ATOM 0 HG2 LYS A 660 -9.779 -3.814 8.581 1.00 64.22 H new ATOM 0 HG3 LYS A 660 -8.324 -3.631 9.540 1.00 64.22 H new ATOM 0 HD2 LYS A 660 -9.225 -1.267 10.132 1.00 12.41 H new ATOM 0 HD3 LYS A 660 -10.753 -1.818 9.474 1.00 12.41 H new ATOM 0 HE2 LYS A 660 -10.080 -3.927 11.124 1.00 33.55 H new ATOM 0 HE3 LYS A 660 -9.398 -2.572 12.001 1.00 33.55 H new ATOM 0 HZ1 LYS A 660 -11.679 -2.982 12.659 1.00 43.14 H new ATOM 0 HZ2 LYS A 660 -11.556 -1.463 11.911 1.00 43.14 H new ATOM 0 HZ3 LYS A 660 -12.217 -2.776 11.062 1.00 43.14 H new ATOM 993 N PRO A 661 -9.900 -1.863 5.162 1.00 24.14 N ATOM 994 CA PRO A 661 -10.332 -0.994 4.063 1.00 33.02 C ATOM 995 C PRO A 661 -9.892 0.453 4.261 1.00 21.02 C ATOM 996 O PRO A 661 -9.637 1.171 3.295 1.00 41.44 O ATOM 997 CB PRO A 661 -11.858 -1.100 4.108 1.00 41.04 C ATOM 998 CG PRO A 661 -12.172 -1.461 5.519 1.00 54.23 C ATOM 999 CD PRO A 661 -11.029 -2.315 5.992 1.00 43.13 C ATOM 0 HA PRO A 661 -9.898 -1.295 3.110 1.00 33.02 H new ATOM 0 HB2 PRO A 661 -12.329 -0.158 3.826 1.00 41.04 H new ATOM 0 HB3 PRO A 661 -12.223 -1.858 3.415 1.00 41.04 H new ATOM 0 HG2 PRO A 661 -12.274 -0.569 6.137 1.00 54.23 H new ATOM 0 HG3 PRO A 661 -13.116 -2.002 5.583 1.00 54.23 H new ATOM 0 HD2 PRO A 661 -10.831 -2.169 7.054 1.00 43.13 H new ATOM 0 HD3 PRO A 661 -11.234 -3.376 5.849 1.00 43.13 H new ATOM 1007 N SER A 662 -9.805 0.874 5.518 1.00 33.42 N ATOM 1008 CA SER A 662 -9.400 2.237 5.842 1.00 61.11 C ATOM 1009 C SER A 662 -8.001 2.528 5.307 1.00 23.01 C ATOM 1010 O SER A 662 -7.773 3.547 4.653 1.00 43.31 O ATOM 1011 CB SER A 662 -9.435 2.456 7.356 1.00 71.15 C ATOM 1012 OG SER A 662 -8.477 3.422 7.753 1.00 31.13 O ATOM 0 H SER A 662 -10.010 0.291 6.329 1.00 33.42 H new ATOM 0 HA SER A 662 -10.103 2.922 5.367 1.00 61.11 H new ATOM 0 HB2 SER A 662 -10.431 2.782 7.657 1.00 71.15 H new ATOM 0 HB3 SER A 662 -9.240 1.514 7.868 1.00 71.15 H new ATOM 0 HG SER A 662 -8.520 3.545 8.724 1.00 31.13 H new ATOM 1018 N THR A 663 -7.066 1.626 5.589 1.00 2.43 N ATOM 1019 CA THR A 663 -5.689 1.787 5.139 1.00 74.35 C ATOM 1020 C THR A 663 -5.577 1.584 3.632 1.00 61.31 C ATOM 1021 O THR A 663 -4.785 2.248 2.963 1.00 42.43 O ATOM 1022 CB THR A 663 -4.747 0.797 5.849 1.00 4.14 C ATOM 1023 OG1 THR A 663 -4.988 0.819 7.261 1.00 70.31 O ATOM 1024 CG2 THR A 663 -3.292 1.142 5.572 1.00 22.40 C ATOM 0 H THR A 663 -7.237 0.776 6.127 1.00 2.43 H new ATOM 0 HA THR A 663 -5.391 2.805 5.390 1.00 74.35 H new ATOM 0 HB THR A 663 -4.947 -0.202 5.462 1.00 4.14 H new ATOM 0 HG1 THR A 663 -4.386 0.186 7.705 1.00 70.31 H new ATOM 0 HG21 THR A 663 -2.645 0.429 6.084 1.00 22.40 H new ATOM 0 HG22 THR A 663 -3.105 1.096 4.499 1.00 22.40 H new ATOM 0 HG23 THR A 663 -3.081 2.148 5.934 1.00 22.40 H new ATOM 1032 N LEU A 664 -6.375 0.662 3.103 1.00 52.14 N ATOM 1033 CA LEU A 664 -6.365 0.372 1.673 1.00 15.30 C ATOM 1034 C LEU A 664 -6.650 1.632 0.860 1.00 52.32 C ATOM 1035 O LEU A 664 -5.823 2.063 0.056 1.00 14.32 O ATOM 1036 CB LEU A 664 -7.402 -0.704 1.344 1.00 65.55 C ATOM 1037 CG LEU A 664 -6.848 -2.096 1.035 1.00 5.53 C ATOM 1038 CD1 LEU A 664 -5.854 -2.525 2.104 1.00 14.11 C ATOM 1039 CD2 LEU A 664 -7.979 -3.107 0.919 1.00 14.24 C ATOM 0 H LEU A 664 -7.036 0.103 3.642 1.00 52.14 H new ATOM 0 HA LEU A 664 -5.373 0.006 1.408 1.00 15.30 H new ATOM 0 HB2 LEU A 664 -8.090 -0.787 2.185 1.00 65.55 H new ATOM 0 HB3 LEU A 664 -7.986 -0.368 0.487 1.00 65.55 H new ATOM 0 HG LEU A 664 -6.326 -2.054 0.079 1.00 5.53 H new ATOM 0 HD11 LEU A 664 -5.471 -3.518 1.867 1.00 14.11 H new ATOM 0 HD12 LEU A 664 -5.027 -1.815 2.138 1.00 14.11 H new ATOM 0 HD13 LEU A 664 -6.351 -2.550 3.074 1.00 14.11 H new ATOM 0 HD21 LEU A 664 -7.566 -4.091 0.699 1.00 14.24 H new ATOM 0 HD22 LEU A 664 -8.530 -3.146 1.859 1.00 14.24 H new ATOM 0 HD23 LEU A 664 -8.653 -2.809 0.116 1.00 14.24 H new ATOM 1051 N ARG A 665 -7.822 2.217 1.076 1.00 13.45 N ATOM 1052 CA ARG A 665 -8.215 3.428 0.365 1.00 72.01 C ATOM 1053 C ARG A 665 -7.213 4.553 0.610 1.00 22.43 C ATOM 1054 O ARG A 665 -6.956 5.370 -0.272 1.00 53.44 O ATOM 1055 CB ARG A 665 -9.612 3.873 0.802 1.00 23.51 C ATOM 1056 CG ARG A 665 -10.359 4.666 -0.257 1.00 71.24 C ATOM 1057 CD ARG A 665 -11.726 5.110 0.239 1.00 30.30 C ATOM 1058 NE ARG A 665 -12.811 4.428 -0.463 1.00 42.31 N ATOM 1059 CZ ARG A 665 -13.143 4.682 -1.724 1.00 1.13 C ATOM 1060 NH1 ARG A 665 -12.478 5.594 -2.418 1.00 12.54 N ATOM 1061 NH2 ARG A 665 -14.143 4.020 -2.294 1.00 5.33 N ATOM 0 H ARG A 665 -8.517 1.872 1.738 1.00 13.45 H new ATOM 0 HA ARG A 665 -8.230 3.202 -0.701 1.00 72.01 H new ATOM 0 HB2 ARG A 665 -10.198 2.993 1.065 1.00 23.51 H new ATOM 0 HB3 ARG A 665 -9.525 4.479 1.704 1.00 23.51 H new ATOM 0 HG2 ARG A 665 -9.772 5.540 -0.540 1.00 71.24 H new ATOM 0 HG3 ARG A 665 -10.476 4.057 -1.153 1.00 71.24 H new ATOM 0 HD2 ARG A 665 -11.805 4.913 1.308 1.00 30.30 H new ATOM 0 HD3 ARG A 665 -11.828 6.187 0.105 1.00 30.30 H new ATOM 0 HE ARG A 665 -13.342 3.719 0.042 1.00 42.31 H new ATOM 0 HH11 ARG A 665 -11.708 6.104 -1.984 1.00 12.54 H new ATOM 0 HH12 ARG A 665 -12.736 5.786 -3.386 1.00 12.54 H new ATOM 0 HH21 ARG A 665 -14.657 3.316 -1.764 1.00 5.33 H new ATOM 0 HH22 ARG A 665 -14.398 4.215 -3.262 1.00 5.33 H new ATOM 1075 N GLU A 666 -6.650 4.584 1.814 1.00 0.30 N ATOM 1076 CA GLU A 666 -5.677 5.609 2.175 1.00 61.20 C ATOM 1077 C GLU A 666 -4.578 5.711 1.121 1.00 31.14 C ATOM 1078 O GLU A 666 -4.196 6.808 0.711 1.00 20.03 O ATOM 1079 CB GLU A 666 -5.061 5.300 3.542 1.00 73.13 C ATOM 1080 CG GLU A 666 -4.745 6.541 4.360 1.00 21.51 C ATOM 1081 CD GLU A 666 -5.991 7.230 4.880 1.00 11.04 C ATOM 1082 OE1 GLU A 666 -6.630 7.966 4.099 1.00 32.44 O ATOM 1083 OE2 GLU A 666 -6.327 7.035 6.067 1.00 23.12 O ATOM 0 H GLU A 666 -6.850 3.912 2.555 1.00 0.30 H new ATOM 0 HA GLU A 666 -6.197 6.566 2.227 1.00 61.20 H new ATOM 0 HB2 GLU A 666 -5.747 4.668 4.106 1.00 73.13 H new ATOM 0 HB3 GLU A 666 -4.145 4.727 3.398 1.00 73.13 H new ATOM 0 HG2 GLU A 666 -4.109 6.265 5.201 1.00 21.51 H new ATOM 0 HG3 GLU A 666 -4.177 7.241 3.747 1.00 21.51 H new ATOM 1090 N LEU A 667 -4.075 4.561 0.687 1.00 34.41 N ATOM 1091 CA LEU A 667 -3.020 4.519 -0.320 1.00 21.25 C ATOM 1092 C LEU A 667 -3.528 5.029 -1.664 1.00 20.02 C ATOM 1093 O LEU A 667 -2.835 5.770 -2.359 1.00 44.14 O ATOM 1094 CB LEU A 667 -2.488 3.093 -0.470 1.00 61.24 C ATOM 1095 CG LEU A 667 -2.444 2.254 0.807 1.00 23.15 C ATOM 1096 CD1 LEU A 667 -1.750 0.926 0.551 1.00 53.11 C ATOM 1097 CD2 LEU A 667 -1.743 3.017 1.923 1.00 73.33 C ATOM 0 H LEU A 667 -4.380 3.645 1.016 1.00 34.41 H new ATOM 0 HA LEU A 667 -2.210 5.169 0.011 1.00 21.25 H new ATOM 0 HB2 LEU A 667 -3.105 2.572 -1.202 1.00 61.24 H new ATOM 0 HB3 LEU A 667 -1.480 3.144 -0.882 1.00 61.24 H new ATOM 0 HG LEU A 667 -3.468 2.051 1.120 1.00 23.15 H new ATOM 0 HD11 LEU A 667 -1.729 0.343 1.472 1.00 53.11 H new ATOM 0 HD12 LEU A 667 -2.293 0.373 -0.216 1.00 53.11 H new ATOM 0 HD13 LEU A 667 -0.730 1.108 0.213 1.00 53.11 H new ATOM 0 HD21 LEU A 667 -1.721 2.405 2.824 1.00 73.33 H new ATOM 0 HD22 LEU A 667 -0.723 3.251 1.619 1.00 73.33 H new ATOM 0 HD23 LEU A 667 -2.283 3.942 2.126 1.00 73.33 H new ATOM 1109 N GLU A 668 -4.744 4.628 -2.021 1.00 41.14 N ATOM 1110 CA GLU A 668 -5.346 5.047 -3.282 1.00 73.32 C ATOM 1111 C GLU A 668 -5.588 6.554 -3.296 1.00 71.44 C ATOM 1112 O GLU A 668 -5.506 7.196 -4.343 1.00 64.30 O ATOM 1113 CB GLU A 668 -6.664 4.305 -3.514 1.00 52.45 C ATOM 1114 CG GLU A 668 -7.312 4.620 -4.852 1.00 10.13 C ATOM 1115 CD GLU A 668 -8.563 3.801 -5.101 1.00 54.55 C ATOM 1116 OE1 GLU A 668 -9.193 3.363 -4.117 1.00 1.32 O ATOM 1117 OE2 GLU A 668 -8.913 3.599 -6.284 1.00 31.32 O ATOM 0 H GLU A 668 -5.331 4.014 -1.456 1.00 41.14 H new ATOM 0 HA GLU A 668 -4.652 4.801 -4.086 1.00 73.32 H new ATOM 0 HB2 GLU A 668 -6.483 3.232 -3.451 1.00 52.45 H new ATOM 0 HB3 GLU A 668 -7.360 4.559 -2.714 1.00 52.45 H new ATOM 0 HG2 GLU A 668 -7.563 5.680 -4.889 1.00 10.13 H new ATOM 0 HG3 GLU A 668 -6.595 4.434 -5.652 1.00 10.13 H new ATOM 1124 N ARG A 669 -5.888 7.109 -2.126 1.00 41.33 N ATOM 1125 CA ARG A 669 -6.144 8.540 -2.004 1.00 62.31 C ATOM 1126 C ARG A 669 -4.874 9.343 -2.268 1.00 30.02 C ATOM 1127 O ARG A 669 -4.933 10.484 -2.726 1.00 51.03 O ATOM 1128 CB ARG A 669 -6.685 8.864 -0.610 1.00 73.05 C ATOM 1129 CG ARG A 669 -7.741 9.959 -0.608 1.00 25.30 C ATOM 1130 CD ARG A 669 -8.003 10.476 0.797 1.00 21.51 C ATOM 1131 NE ARG A 669 -9.148 11.381 0.843 1.00 31.42 N ATOM 1132 CZ ARG A 669 -9.752 11.747 1.968 1.00 30.12 C ATOM 1133 NH1 ARG A 669 -9.321 11.289 3.136 1.00 65.55 N ATOM 1134 NH2 ARG A 669 -10.789 12.574 1.928 1.00 24.02 N ATOM 0 H ARG A 669 -5.960 6.591 -1.250 1.00 41.33 H new ATOM 0 HA ARG A 669 -6.889 8.817 -2.750 1.00 62.31 H new ATOM 0 HB2 ARG A 669 -7.110 7.960 -0.175 1.00 73.05 H new ATOM 0 HB3 ARG A 669 -5.857 9.167 0.031 1.00 73.05 H new ATOM 0 HG2 ARG A 669 -7.415 10.781 -1.245 1.00 25.30 H new ATOM 0 HG3 ARG A 669 -8.667 9.574 -1.034 1.00 25.30 H new ATOM 0 HD2 ARG A 669 -8.180 9.634 1.466 1.00 21.51 H new ATOM 0 HD3 ARG A 669 -7.117 10.994 1.164 1.00 21.51 H new ATOM 0 HE ARG A 669 -9.504 11.753 -0.038 1.00 31.42 H new ATOM 0 HH11 ARG A 669 -8.524 10.654 3.172 1.00 65.55 H new ATOM 0 HH12 ARG A 669 -9.787 11.572 3.998 1.00 65.55 H new ATOM 0 HH21 ARG A 669 -11.123 12.930 1.032 1.00 24.02 H new ATOM 0 HH22 ARG A 669 -11.252 12.854 2.793 1.00 24.02 H new ATOM 1148 N TYR A 670 -3.726 8.741 -1.974 1.00 34.31 N ATOM 1149 CA TYR A 670 -2.443 9.402 -2.176 1.00 31.02 C ATOM 1150 C TYR A 670 -2.010 9.315 -3.637 1.00 4.10 C ATOM 1151 O TYR A 670 -1.502 10.283 -4.204 1.00 15.22 O ATOM 1152 CB TYR A 670 -1.375 8.773 -1.279 1.00 1.21 C ATOM 1153 CG TYR A 670 -1.306 9.389 0.101 1.00 70.31 C ATOM 1154 CD1 TYR A 670 -2.443 9.498 0.892 1.00 31.01 C ATOM 1155 CD2 TYR A 670 -0.103 9.859 0.615 1.00 75.23 C ATOM 1156 CE1 TYR A 670 -2.385 10.060 2.153 1.00 54.41 C ATOM 1157 CE2 TYR A 670 -0.035 10.420 1.875 1.00 51.22 C ATOM 1158 CZ TYR A 670 -1.179 10.520 2.639 1.00 34.23 C ATOM 1159 OH TYR A 670 -1.117 11.078 3.895 1.00 3.42 O ATOM 0 H TYR A 670 -3.659 7.796 -1.595 1.00 34.31 H new ATOM 0 HA TYR A 670 -2.559 10.453 -1.911 1.00 31.02 H new ATOM 0 HB2 TYR A 670 -1.576 7.706 -1.182 1.00 1.21 H new ATOM 0 HB3 TYR A 670 -0.403 8.872 -1.761 1.00 1.21 H new ATOM 0 HD1 TYR A 670 -3.388 9.137 0.515 1.00 31.01 H new ATOM 0 HD2 TYR A 670 0.794 9.784 0.018 1.00 75.23 H new ATOM 0 HE1 TYR A 670 -3.279 10.139 2.754 1.00 54.41 H new ATOM 0 HE2 TYR A 670 0.908 10.778 2.260 1.00 51.22 H new ATOM 0 HH TYR A 670 -0.195 11.350 4.087 1.00 3.42 H new ATOM 1169 N VAL A 671 -2.215 8.149 -4.240 1.00 41.23 N ATOM 1170 CA VAL A 671 -1.848 7.934 -5.635 1.00 40.41 C ATOM 1171 C VAL A 671 -2.825 8.634 -6.574 1.00 1.23 C ATOM 1172 O VAL A 671 -2.438 9.138 -7.628 1.00 45.21 O ATOM 1173 CB VAL A 671 -1.807 6.434 -5.981 1.00 10.43 C ATOM 1174 CG1 VAL A 671 -3.215 5.887 -6.157 1.00 42.22 C ATOM 1175 CG2 VAL A 671 -0.973 6.199 -7.231 1.00 74.15 C ATOM 0 H VAL A 671 -2.633 7.338 -3.784 1.00 41.23 H new ATOM 0 HA VAL A 671 -0.852 8.357 -5.769 1.00 40.41 H new ATOM 0 HB VAL A 671 -1.338 5.901 -5.154 1.00 10.43 H new ATOM 0 HG11 VAL A 671 -3.165 4.826 -6.401 1.00 42.22 H new ATOM 0 HG12 VAL A 671 -3.776 6.021 -5.232 1.00 42.22 H new ATOM 0 HG13 VAL A 671 -3.715 6.422 -6.965 1.00 42.22 H new ATOM 0 HG21 VAL A 671 -0.955 5.134 -7.461 1.00 74.15 H new ATOM 0 HG22 VAL A 671 -1.410 6.744 -8.068 1.00 74.15 H new ATOM 0 HG23 VAL A 671 0.044 6.551 -7.061 1.00 74.15 H new ATOM 1185 N THR A 672 -4.095 8.663 -6.183 1.00 30.35 N ATOM 1186 CA THR A 672 -5.129 9.301 -6.989 1.00 23.33 C ATOM 1187 C THR A 672 -4.946 10.813 -7.021 1.00 11.22 C ATOM 1188 O THR A 672 -5.275 11.467 -8.010 1.00 73.24 O ATOM 1189 CB THR A 672 -6.537 8.976 -6.457 1.00 31.44 C ATOM 1190 OG1 THR A 672 -7.519 9.268 -7.457 1.00 23.30 O ATOM 1191 CG2 THR A 672 -6.836 9.774 -5.196 1.00 20.40 C ATOM 0 H THR A 672 -4.433 8.252 -5.313 1.00 30.35 H new ATOM 0 HA THR A 672 -5.031 8.905 -8.000 1.00 23.33 H new ATOM 0 HB THR A 672 -6.573 7.914 -6.213 1.00 31.44 H new ATOM 0 HG1 THR A 672 -8.411 9.057 -7.111 1.00 23.30 H new ATOM 0 HG21 THR A 672 -7.836 9.528 -4.838 1.00 20.40 H new ATOM 0 HG22 THR A 672 -6.104 9.527 -4.427 1.00 20.40 H new ATOM 0 HG23 THR A 672 -6.782 10.840 -5.419 1.00 20.40 H new ATOM 1199 N SER A 673 -4.420 11.364 -5.931 1.00 70.34 N ATOM 1200 CA SER A 673 -4.197 12.802 -5.834 1.00 23.52 C ATOM 1201 C SER A 673 -3.059 13.239 -6.751 1.00 64.34 C ATOM 1202 O SER A 673 -3.098 14.322 -7.336 1.00 32.25 O ATOM 1203 CB SER A 673 -3.880 13.193 -4.389 1.00 74.31 C ATOM 1204 OG SER A 673 -4.035 14.588 -4.193 1.00 1.53 O ATOM 0 H SER A 673 -4.141 10.837 -5.104 1.00 70.34 H new ATOM 0 HA SER A 673 -5.109 13.308 -6.149 1.00 23.52 H new ATOM 0 HB2 SER A 673 -4.538 12.652 -3.710 1.00 74.31 H new ATOM 0 HB3 SER A 673 -2.859 12.899 -4.145 1.00 74.31 H new ATOM 0 HG SER A 673 -3.828 14.812 -3.262 1.00 1.53 H new ATOM 1309 N THR B 389 16.662 3.895 -3.565 1.00 50.51 N ATOM 1310 CA THR B 389 15.304 4.270 -3.194 1.00 12.23 C ATOM 1311 C THR B 389 14.527 3.070 -2.662 1.00 4.53 C ATOM 1312 O THR B 389 15.072 1.973 -2.541 1.00 75.22 O ATOM 1313 CB THR B 389 14.540 4.873 -4.387 1.00 41.24 C ATOM 1314 OG1 THR B 389 15.324 4.754 -5.581 1.00 11.13 O ATOM 1315 CG2 THR B 389 14.210 6.337 -4.136 1.00 35.42 C ATOM 0 HA THR B 389 15.389 5.022 -2.409 1.00 12.23 H new ATOM 0 HB THR B 389 13.607 4.323 -4.508 1.00 41.24 H new ATOM 0 HG1 THR B 389 16.193 4.357 -5.363 1.00 11.13 H new ATOM 0 HG21 THR B 389 13.670 6.740 -4.993 1.00 35.42 H new ATOM 0 HG22 THR B 389 13.590 6.422 -3.244 1.00 35.42 H new ATOM 0 HG23 THR B 389 15.133 6.898 -3.991 1.00 35.42 H new ATOM 1323 N TRP B 390 13.255 3.286 -2.348 1.00 3.03 N ATOM 1324 CA TRP B 390 12.405 2.221 -1.830 1.00 33.51 C ATOM 1325 C TRP B 390 12.095 1.196 -2.915 1.00 34.10 C ATOM 1326 O TRP B 390 12.152 1.502 -4.107 1.00 11.33 O ATOM 1327 CB TRP B 390 11.104 2.804 -1.274 1.00 61.21 C ATOM 1328 CG TRP B 390 11.163 3.094 0.195 1.00 23.43 C ATOM 1329 CD1 TRP B 390 11.829 4.120 0.802 1.00 52.14 C ATOM 1330 CD2 TRP B 390 10.533 2.347 1.241 1.00 72.41 C ATOM 1331 NE1 TRP B 390 11.651 4.055 2.162 1.00 12.44 N ATOM 1332 CE2 TRP B 390 10.859 2.977 2.458 1.00 43.43 C ATOM 1333 CE3 TRP B 390 9.724 1.207 1.269 1.00 31.02 C ATOM 1334 CZ2 TRP B 390 10.404 2.506 3.686 1.00 4.14 C ATOM 1335 CZ3 TRP B 390 9.273 0.740 2.489 1.00 3.44 C ATOM 1336 CH2 TRP B 390 9.614 1.388 3.684 1.00 14.53 C ATOM 0 H TRP B 390 12.790 4.189 -2.443 1.00 3.03 H new ATOM 0 HA TRP B 390 12.943 1.719 -1.026 1.00 33.51 H new ATOM 0 HB2 TRP B 390 10.868 3.724 -1.809 1.00 61.21 H new ATOM 0 HB3 TRP B 390 10.290 2.106 -1.467 1.00 61.21 H new ATOM 0 HD1 TRP B 390 12.410 4.872 0.288 1.00 52.14 H new ATOM 0 HE1 TRP B 390 12.045 4.705 2.842 1.00 12.44 H new ATOM 0 HE3 TRP B 390 9.456 0.700 0.354 1.00 31.02 H new ATOM 0 HZ2 TRP B 390 10.665 3.005 4.608 1.00 4.14 H new ATOM 0 HZ3 TRP B 390 8.647 -0.139 2.522 1.00 3.44 H new ATOM 0 HH2 TRP B 390 9.246 0.998 4.622 1.00 14.53 H new ATOM 1347 N ARG B 391 11.765 -0.022 -2.497 1.00 5.13 N ATOM 1348 CA ARG B 391 11.447 -1.092 -3.434 1.00 52.22 C ATOM 1349 C ARG B 391 10.200 -1.850 -2.990 1.00 70.40 C ATOM 1350 O ARG B 391 9.676 -1.621 -1.900 1.00 15.13 O ATOM 1351 CB ARG B 391 12.627 -2.057 -3.559 1.00 72.20 C ATOM 1352 CG ARG B 391 13.070 -2.653 -2.232 1.00 52.54 C ATOM 1353 CD ARG B 391 14.495 -3.178 -2.306 1.00 42.12 C ATOM 1354 NE ARG B 391 14.641 -4.226 -3.313 1.00 33.04 N ATOM 1355 CZ ARG B 391 15.805 -4.783 -3.631 1.00 15.14 C ATOM 1356 NH1 ARG B 391 16.917 -4.395 -3.022 1.00 72.30 N ATOM 1357 NH2 ARG B 391 15.856 -5.731 -4.558 1.00 1.01 N ATOM 0 H ARG B 391 11.711 -0.292 -1.515 1.00 5.13 H new ATOM 0 HA ARG B 391 11.250 -0.642 -4.407 1.00 52.22 H new ATOM 0 HB2 ARG B 391 12.354 -2.865 -4.238 1.00 72.20 H new ATOM 0 HB3 ARG B 391 13.469 -1.532 -4.011 1.00 72.20 H new ATOM 0 HG2 ARG B 391 13.000 -1.896 -1.450 1.00 52.54 H new ATOM 0 HG3 ARG B 391 12.396 -3.463 -1.953 1.00 52.54 H new ATOM 0 HD2 ARG B 391 15.172 -2.356 -2.537 1.00 42.12 H new ATOM 0 HD3 ARG B 391 14.789 -3.568 -1.332 1.00 42.12 H new ATOM 0 HE ARG B 391 13.804 -4.548 -3.799 1.00 33.04 H new ATOM 0 HH11 ARG B 391 16.880 -3.668 -2.308 1.00 72.30 H new ATOM 0 HH12 ARG B 391 17.809 -4.824 -3.268 1.00 72.30 H new ATOM 0 HH21 ARG B 391 15.002 -6.032 -5.027 1.00 1.01 H new ATOM 0 HH22 ARG B 391 16.750 -6.158 -4.802 1.00 1.01 H new ATOM 1371 N VAL B 392 9.730 -2.756 -3.842 1.00 1.23 N ATOM 1372 CA VAL B 392 8.544 -3.549 -3.537 1.00 65.33 C ATOM 1373 C VAL B 392 8.605 -4.911 -4.220 1.00 64.51 C ATOM 1374 O VAL B 392 9.057 -5.025 -5.359 1.00 24.44 O ATOM 1375 CB VAL B 392 7.258 -2.825 -3.973 1.00 54.03 C ATOM 1376 CG1 VAL B 392 6.037 -3.685 -3.684 1.00 11.55 C ATOM 1377 CG2 VAL B 392 7.145 -1.475 -3.282 1.00 22.12 C ATOM 0 H VAL B 392 10.152 -2.959 -4.748 1.00 1.23 H new ATOM 0 HA VAL B 392 8.524 -3.688 -2.456 1.00 65.33 H new ATOM 0 HB VAL B 392 7.306 -2.653 -5.048 1.00 54.03 H new ATOM 0 HG11 VAL B 392 5.137 -3.157 -3.999 1.00 11.55 H new ATOM 0 HG12 VAL B 392 6.116 -4.625 -4.231 1.00 11.55 H new ATOM 0 HG13 VAL B 392 5.982 -3.891 -2.615 1.00 11.55 H new ATOM 0 HG21 VAL B 392 6.230 -0.978 -3.603 1.00 22.12 H new ATOM 0 HG22 VAL B 392 7.120 -1.620 -2.202 1.00 22.12 H new ATOM 0 HG23 VAL B 392 8.004 -0.858 -3.545 1.00 22.12 H new ATOM 1387 N GLN B 393 8.146 -5.941 -3.515 1.00 54.04 N ATOM 1388 CA GLN B 393 8.148 -7.296 -4.054 1.00 3.22 C ATOM 1389 C GLN B 393 6.827 -8.000 -3.761 1.00 41.31 C ATOM 1390 O GLN B 393 6.526 -8.323 -2.613 1.00 21.42 O ATOM 1391 CB GLN B 393 9.309 -8.100 -3.465 1.00 0.41 C ATOM 1392 CG GLN B 393 10.670 -7.463 -3.698 1.00 52.23 C ATOM 1393 CD GLN B 393 11.608 -7.644 -2.522 1.00 41.00 C ATOM 1394 OE1 GLN B 393 12.540 -8.447 -2.575 1.00 41.32 O ATOM 1395 NE2 GLN B 393 11.367 -6.897 -1.451 1.00 73.13 N ATOM 0 H GLN B 393 7.769 -5.863 -2.571 1.00 54.04 H new ATOM 0 HA GLN B 393 8.272 -7.230 -5.135 1.00 3.22 H new ATOM 0 HB2 GLN B 393 9.151 -8.218 -2.393 1.00 0.41 H new ATOM 0 HB3 GLN B 393 9.306 -9.099 -3.900 1.00 0.41 H new ATOM 0 HG2 GLN B 393 11.123 -7.898 -4.589 1.00 52.23 H new ATOM 0 HG3 GLN B 393 10.540 -6.399 -3.894 1.00 52.23 H new ATOM 0 HE21 GLN B 393 10.583 -6.244 -1.450 1.00 73.13 H new ATOM 0 HE22 GLN B 393 11.966 -6.976 -0.629 1.00 73.13 H new ATOM 1404 N ARG B 394 6.042 -8.233 -4.808 1.00 63.01 N ATOM 1405 CA ARG B 394 4.753 -8.897 -4.663 1.00 72.33 C ATOM 1406 C ARG B 394 4.937 -10.373 -4.322 1.00 32.33 C ATOM 1407 O ARG B 394 6.038 -10.913 -4.428 1.00 33.23 O ATOM 1408 CB ARG B 394 3.936 -8.759 -5.950 1.00 21.02 C ATOM 1409 CG ARG B 394 4.702 -9.150 -7.203 1.00 4.30 C ATOM 1410 CD ARG B 394 5.179 -7.927 -7.969 1.00 1.53 C ATOM 1411 NE ARG B 394 5.060 -8.104 -9.414 1.00 31.01 N ATOM 1412 CZ ARG B 394 3.901 -8.075 -10.064 1.00 4.32 C ATOM 1413 NH1 ARG B 394 2.770 -7.874 -9.402 1.00 63.52 N ATOM 1414 NH2 ARG B 394 3.874 -8.244 -11.380 1.00 31.25 N ATOM 0 H ARG B 394 6.277 -7.972 -5.766 1.00 63.01 H new ATOM 0 HA ARG B 394 4.215 -8.416 -3.846 1.00 72.33 H new ATOM 0 HB2 ARG B 394 3.043 -9.380 -5.872 1.00 21.02 H new ATOM 0 HB3 ARG B 394 3.599 -7.727 -6.048 1.00 21.02 H new ATOM 0 HG2 ARG B 394 5.559 -9.766 -6.930 1.00 4.30 H new ATOM 0 HG3 ARG B 394 4.065 -9.757 -7.846 1.00 4.30 H new ATOM 0 HD2 ARG B 394 4.598 -7.058 -7.661 1.00 1.53 H new ATOM 0 HD3 ARG B 394 6.219 -7.722 -7.713 1.00 1.53 H new ATOM 0 HE ARG B 394 5.912 -8.258 -9.953 1.00 31.01 H new ATOM 0 HH11 ARG B 394 2.788 -7.741 -8.391 1.00 63.52 H new ATOM 0 HH12 ARG B 394 1.882 -7.852 -9.904 1.00 63.52 H new ATOM 0 HH21 ARG B 394 4.743 -8.396 -11.893 1.00 31.25 H new ATOM 0 HH22 ARG B 394 2.985 -8.222 -11.879 1.00 31.25 H new ATOM 1428 N SER B 395 3.850 -11.020 -3.910 1.00 61.13 N ATOM 1429 CA SER B 395 3.893 -12.432 -3.549 1.00 33.25 C ATOM 1430 C SER B 395 2.728 -13.190 -4.179 1.00 54.51 C ATOM 1431 O SER B 395 1.960 -12.629 -4.961 1.00 12.23 O ATOM 1432 CB SER B 395 3.857 -12.592 -2.028 1.00 52.43 C ATOM 1433 OG SER B 395 4.315 -13.875 -1.639 1.00 32.32 O ATOM 0 H SER B 395 2.930 -10.589 -3.818 1.00 61.13 H new ATOM 0 HA SER B 395 4.824 -12.851 -3.930 1.00 33.25 H new ATOM 0 HB2 SER B 395 4.477 -11.825 -1.564 1.00 52.43 H new ATOM 0 HB3 SER B 395 2.840 -12.441 -1.667 1.00 52.43 H new ATOM 0 HG SER B 395 4.284 -13.951 -0.662 1.00 32.32 H new ATOM 1439 N GLN B 396 2.602 -14.466 -3.831 1.00 43.21 N ATOM 1440 CA GLN B 396 1.532 -15.300 -4.363 1.00 34.44 C ATOM 1441 C GLN B 396 0.165 -14.729 -4.000 1.00 53.33 C ATOM 1442 O GLN B 396 -0.821 -14.965 -4.696 1.00 53.34 O ATOM 1443 CB GLN B 396 1.657 -16.729 -3.830 1.00 42.02 C ATOM 1444 CG GLN B 396 1.397 -16.847 -2.337 1.00 2.35 C ATOM 1445 CD GLN B 396 2.444 -17.681 -1.626 1.00 62.24 C ATOM 1446 OE1 GLN B 396 2.722 -18.815 -2.017 1.00 50.13 O ATOM 1447 NE2 GLN B 396 3.033 -17.122 -0.574 1.00 63.44 N ATOM 0 H GLN B 396 3.228 -14.945 -3.183 1.00 43.21 H new ATOM 0 HA GLN B 396 1.624 -15.315 -5.449 1.00 34.44 H new ATOM 0 HB2 GLN B 396 0.955 -17.370 -4.364 1.00 42.02 H new ATOM 0 HB3 GLN B 396 2.658 -17.102 -4.047 1.00 42.02 H new ATOM 0 HG2 GLN B 396 1.372 -15.850 -1.897 1.00 2.35 H new ATOM 0 HG3 GLN B 396 0.414 -17.291 -2.177 1.00 2.35 H new ATOM 0 HE21 GLN B 396 2.772 -16.179 -0.284 1.00 63.44 H new ATOM 0 HE22 GLN B 396 3.746 -17.636 -0.056 1.00 63.44 H new ATOM 1456 N ASN B 397 0.115 -13.977 -2.906 1.00 44.52 N ATOM 1457 CA ASN B 397 -1.132 -13.372 -2.451 1.00 5.43 C ATOM 1458 C ASN B 397 -1.875 -12.719 -3.611 1.00 51.42 C ATOM 1459 O ASN B 397 -1.313 -12.462 -4.676 1.00 22.33 O ATOM 1460 CB ASN B 397 -0.851 -12.334 -1.362 1.00 60.10 C ATOM 1461 CG ASN B 397 -0.901 -12.931 0.032 1.00 51.42 C ATOM 1462 OD1 ASN B 397 -0.034 -13.717 0.415 1.00 50.14 O ATOM 1463 ND2 ASN B 397 -1.919 -12.558 0.798 1.00 1.43 N ATOM 0 H ASN B 397 0.923 -13.772 -2.318 1.00 44.52 H new ATOM 0 HA ASN B 397 -1.761 -14.161 -2.039 1.00 5.43 H new ATOM 0 HB2 ASN B 397 0.131 -11.892 -1.530 1.00 60.10 H new ATOM 0 HB3 ASN B 397 -1.581 -11.528 -1.435 1.00 60.10 H new ATOM 0 HD21 ASN B 397 -2.006 -12.925 1.746 1.00 1.43 H new ATOM 0 HD22 ASN B 397 -2.615 -11.904 0.439 1.00 1.43 H new ATOM 1470 N PRO B 398 -3.171 -12.441 -3.403 1.00 31.41 N ATOM 1471 CA PRO B 398 -4.020 -11.814 -4.420 1.00 0.11 C ATOM 1472 C PRO B 398 -3.647 -10.356 -4.667 1.00 12.33 C ATOM 1473 O PRO B 398 -4.008 -9.777 -5.693 1.00 14.53 O ATOM 1474 CB PRO B 398 -5.424 -11.912 -3.820 1.00 22.03 C ATOM 1475 CG PRO B 398 -5.203 -11.982 -2.348 1.00 50.11 C ATOM 1476 CD PRO B 398 -3.907 -12.719 -2.159 1.00 31.30 C ATOM 0 HA PRO B 398 -3.921 -12.301 -5.390 1.00 0.11 H new ATOM 0 HB2 PRO B 398 -6.031 -11.047 -4.089 1.00 22.03 H new ATOM 0 HB3 PRO B 398 -5.949 -12.795 -4.184 1.00 22.03 H new ATOM 0 HG2 PRO B 398 -5.151 -10.984 -1.913 1.00 50.11 H new ATOM 0 HG3 PRO B 398 -6.024 -12.503 -1.854 1.00 50.11 H new ATOM 0 HD2 PRO B 398 -3.365 -12.361 -1.283 1.00 31.30 H new ATOM 0 HD3 PRO B 398 -4.069 -13.788 -2.019 1.00 31.30 H new ATOM 1484 N LEU B 399 -2.922 -9.767 -3.722 1.00 62.31 N ATOM 1485 CA LEU B 399 -2.499 -8.376 -3.837 1.00 52.12 C ATOM 1486 C LEU B 399 -1.671 -7.957 -2.627 1.00 40.21 C ATOM 1487 O LEU B 399 -2.032 -7.028 -1.904 1.00 41.23 O ATOM 1488 CB LEU B 399 -3.719 -7.462 -3.976 1.00 45.43 C ATOM 1489 CG LEU B 399 -3.596 -6.331 -4.998 1.00 33.14 C ATOM 1490 CD1 LEU B 399 -2.417 -5.431 -4.660 1.00 55.10 C ATOM 1491 CD2 LEU B 399 -3.453 -6.896 -6.404 1.00 31.21 C ATOM 0 H LEU B 399 -2.615 -10.232 -2.867 1.00 62.31 H new ATOM 0 HA LEU B 399 -1.879 -8.283 -4.728 1.00 52.12 H new ATOM 0 HB2 LEU B 399 -4.579 -8.075 -4.244 1.00 45.43 H new ATOM 0 HB3 LEU B 399 -3.932 -7.023 -3.001 1.00 45.43 H new ATOM 0 HG LEU B 399 -4.506 -5.732 -4.960 1.00 33.14 H new ATOM 0 HD11 LEU B 399 -2.346 -4.632 -5.398 1.00 55.10 H new ATOM 0 HD12 LEU B 399 -2.562 -4.998 -3.670 1.00 55.10 H new ATOM 0 HD13 LEU B 399 -1.498 -6.017 -4.669 1.00 55.10 H new ATOM 0 HD21 LEU B 399 -3.367 -6.077 -7.118 1.00 31.21 H new ATOM 0 HD22 LEU B 399 -2.560 -7.519 -6.457 1.00 31.21 H new ATOM 0 HD23 LEU B 399 -4.330 -7.497 -6.645 1.00 31.21 H new ATOM 1503 N LYS B 400 -0.555 -8.647 -2.413 1.00 12.11 N ATOM 1504 CA LYS B 400 0.328 -8.345 -1.292 1.00 61.01 C ATOM 1505 C LYS B 400 1.656 -7.780 -1.785 1.00 20.02 C ATOM 1506 O LYS B 400 2.441 -8.480 -2.426 1.00 11.03 O ATOM 1507 CB LYS B 400 0.575 -9.603 -0.458 1.00 31.41 C ATOM 1508 CG LYS B 400 1.390 -9.350 0.799 1.00 42.04 C ATOM 1509 CD LYS B 400 2.041 -10.625 1.308 1.00 72.10 C ATOM 1510 CE LYS B 400 1.104 -11.402 2.222 1.00 43.24 C ATOM 1511 NZ LYS B 400 1.599 -12.783 2.478 1.00 24.33 N ATOM 0 H LYS B 400 -0.241 -9.419 -3.001 1.00 12.11 H new ATOM 0 HA LYS B 400 -0.158 -7.594 -0.669 1.00 61.01 H new ATOM 0 HB2 LYS B 400 -0.385 -10.037 -0.177 1.00 31.41 H new ATOM 0 HB3 LYS B 400 1.091 -10.341 -1.073 1.00 31.41 H new ATOM 0 HG2 LYS B 400 2.159 -8.606 0.591 1.00 42.04 H new ATOM 0 HG3 LYS B 400 0.746 -8.935 1.574 1.00 42.04 H new ATOM 0 HD2 LYS B 400 2.329 -11.251 0.463 1.00 72.10 H new ATOM 0 HD3 LYS B 400 2.955 -10.378 1.847 1.00 72.10 H new ATOM 0 HE2 LYS B 400 0.998 -10.873 3.169 1.00 43.24 H new ATOM 0 HE3 LYS B 400 0.113 -11.449 1.771 1.00 43.24 H new ATOM 0 HZ1 LYS B 400 1.389 -13.050 3.461 1.00 24.33 H new ATOM 0 HZ2 LYS B 400 1.128 -13.446 1.830 1.00 24.33 H new ATOM 0 HZ3 LYS B 400 2.627 -12.818 2.322 1.00 24.33 H new ATOM 1525 N ILE B 401 1.903 -6.510 -1.480 1.00 73.24 N ATOM 1526 CA ILE B 401 3.138 -5.853 -1.889 1.00 41.02 C ATOM 1527 C ILE B 401 4.012 -5.526 -0.684 1.00 42.13 C ATOM 1528 O ILE B 401 3.639 -4.718 0.166 1.00 44.23 O ATOM 1529 CB ILE B 401 2.853 -4.555 -2.669 1.00 73.23 C ATOM 1530 CG1 ILE B 401 1.633 -3.840 -2.084 1.00 62.22 C ATOM 1531 CG2 ILE B 401 2.638 -4.861 -4.144 1.00 40.11 C ATOM 1532 CD1 ILE B 401 1.717 -2.333 -2.172 1.00 51.34 C ATOM 0 H ILE B 401 1.264 -5.916 -0.951 1.00 73.24 H new ATOM 0 HA ILE B 401 3.666 -6.550 -2.539 1.00 41.02 H new ATOM 0 HB ILE B 401 3.716 -3.895 -2.576 1.00 73.23 H new ATOM 0 HG12 ILE B 401 0.739 -4.177 -2.608 1.00 62.22 H new ATOM 0 HG13 ILE B 401 1.519 -4.129 -1.039 1.00 62.22 H new ATOM 0 HG21 ILE B 401 2.438 -3.935 -4.682 1.00 40.11 H new ATOM 0 HG22 ILE B 401 3.532 -5.332 -4.552 1.00 40.11 H new ATOM 0 HG23 ILE B 401 1.790 -5.536 -4.256 1.00 40.11 H new ATOM 0 HD11 ILE B 401 0.819 -1.893 -1.739 1.00 51.34 H new ATOM 0 HD12 ILE B 401 2.593 -1.985 -1.624 1.00 51.34 H new ATOM 0 HD13 ILE B 401 1.800 -2.034 -3.217 1.00 51.34 H new ATOM 1544 N ARG B 402 5.179 -6.159 -0.618 1.00 4.15 N ATOM 1545 CA ARG B 402 6.109 -5.935 0.483 1.00 72.43 C ATOM 1546 C ARG B 402 7.026 -4.751 0.189 1.00 72.23 C ATOM 1547 O ARG B 402 7.979 -4.867 -0.582 1.00 22.43 O ATOM 1548 CB ARG B 402 6.944 -7.191 0.737 1.00 63.02 C ATOM 1549 CG ARG B 402 8.075 -6.981 1.731 1.00 53.52 C ATOM 1550 CD ARG B 402 8.019 -7.997 2.860 1.00 64.22 C ATOM 1551 NE ARG B 402 9.351 -8.440 3.263 1.00 5.13 N ATOM 1552 CZ ARG B 402 10.064 -9.335 2.588 1.00 33.45 C ATOM 1553 NH1 ARG B 402 9.574 -9.879 1.482 1.00 35.45 N ATOM 1554 NH2 ARG B 402 11.268 -9.687 3.018 1.00 23.13 N ATOM 0 H ARG B 402 5.503 -6.831 -1.314 1.00 4.15 H new ATOM 0 HA ARG B 402 5.527 -5.708 1.376 1.00 72.43 H new ATOM 0 HB2 ARG B 402 6.291 -7.983 1.105 1.00 63.02 H new ATOM 0 HB3 ARG B 402 7.362 -7.536 -0.209 1.00 63.02 H new ATOM 0 HG2 ARG B 402 9.033 -7.060 1.216 1.00 53.52 H new ATOM 0 HG3 ARG B 402 8.016 -5.974 2.143 1.00 53.52 H new ATOM 0 HD2 ARG B 402 7.508 -7.559 3.717 1.00 64.22 H new ATOM 0 HD3 ARG B 402 7.431 -8.858 2.544 1.00 64.22 H new ATOM 0 HE ARG B 402 9.756 -8.040 4.109 1.00 5.13 H new ATOM 0 HH11 ARG B 402 8.648 -9.610 1.148 1.00 35.45 H new ATOM 0 HH12 ARG B 402 10.123 -10.566 0.965 1.00 35.45 H new ATOM 0 HH21 ARG B 402 11.648 -9.270 3.868 1.00 23.13 H new ATOM 0 HH22 ARG B 402 11.814 -10.374 2.499 1.00 23.13 H new ATOM 1568 N LEU B 403 6.730 -3.613 0.807 1.00 25.21 N ATOM 1569 CA LEU B 403 7.528 -2.407 0.612 1.00 32.31 C ATOM 1570 C LEU B 403 8.723 -2.385 1.560 1.00 73.22 C ATOM 1571 O LEU B 403 8.597 -2.706 2.742 1.00 64.43 O ATOM 1572 CB LEU B 403 6.667 -1.162 0.828 1.00 15.45 C ATOM 1573 CG LEU B 403 5.771 -0.754 -0.341 1.00 73.33 C ATOM 1574 CD1 LEU B 403 5.105 -1.976 -0.955 1.00 75.24 C ATOM 1575 CD2 LEU B 403 4.724 0.252 0.115 1.00 14.32 C ATOM 0 H LEU B 403 5.944 -3.500 1.447 1.00 25.21 H new ATOM 0 HA LEU B 403 7.901 -2.409 -0.412 1.00 32.31 H new ATOM 0 HB2 LEU B 403 6.037 -1.328 1.702 1.00 15.45 H new ATOM 0 HB3 LEU B 403 7.325 -0.326 1.064 1.00 15.45 H new ATOM 0 HG LEU B 403 6.393 -0.283 -1.102 1.00 73.33 H new ATOM 0 HD11 LEU B 403 4.471 -1.666 -1.786 1.00 75.24 H new ATOM 0 HD12 LEU B 403 5.869 -2.663 -1.319 1.00 75.24 H new ATOM 0 HD13 LEU B 403 4.497 -2.476 -0.201 1.00 75.24 H new ATOM 0 HD21 LEU B 403 4.095 0.531 -0.730 1.00 14.32 H new ATOM 0 HD22 LEU B 403 4.107 -0.194 0.895 1.00 14.32 H new ATOM 0 HD23 LEU B 403 5.219 1.140 0.508 1.00 14.32 H new ATOM 1587 N THR B 404 9.882 -2.001 1.034 1.00 71.22 N ATOM 1588 CA THR B 404 11.099 -1.936 1.833 1.00 13.21 C ATOM 1589 C THR B 404 12.008 -0.807 1.359 1.00 71.40 C ATOM 1590 O THR B 404 12.083 -0.519 0.164 1.00 1.40 O ATOM 1591 CB THR B 404 11.878 -3.263 1.781 1.00 64.34 C ATOM 1592 OG1 THR B 404 12.497 -3.418 0.498 1.00 13.21 O ATOM 1593 CG2 THR B 404 10.956 -4.442 2.050 1.00 73.30 C ATOM 0 H THR B 404 10.003 -1.730 0.058 1.00 71.22 H new ATOM 0 HA THR B 404 10.792 -1.745 2.861 1.00 13.21 H new ATOM 0 HB THR B 404 12.646 -3.239 2.554 1.00 64.34 H new ATOM 0 HG1 THR B 404 12.992 -4.264 0.474 1.00 13.21 H new ATOM 0 HG21 THR B 404 11.529 -5.369 2.008 1.00 73.30 H new ATOM 0 HG22 THR B 404 10.509 -4.336 3.038 1.00 73.30 H new ATOM 0 HG23 THR B 404 10.169 -4.468 1.297 1.00 73.30 H new ATOM 1601 N ARG B 405 12.697 -0.172 2.302 1.00 74.14 N ATOM 1602 CA ARG B 405 13.600 0.926 1.979 1.00 33.42 C ATOM 1603 C ARG B 405 14.557 0.530 0.859 1.00 44.41 C ATOM 1604 O ARG B 405 15.291 -0.451 0.973 1.00 3.45 O ATOM 1605 CB ARG B 405 14.393 1.342 3.219 1.00 24.22 C ATOM 1606 CG ARG B 405 13.695 2.394 4.065 1.00 40.21 C ATOM 1607 CD ARG B 405 14.537 2.791 5.267 1.00 14.42 C ATOM 1608 NE ARG B 405 15.947 2.948 4.921 1.00 43.22 N ATOM 1609 CZ ARG B 405 16.416 3.950 4.186 1.00 23.34 C ATOM 1610 NH1 ARG B 405 15.593 4.880 3.723 1.00 21.03 N ATOM 1611 NH2 ARG B 405 17.713 4.023 3.913 1.00 14.42 N ATOM 0 H ARG B 405 12.647 -0.399 3.295 1.00 74.14 H new ATOM 0 HA ARG B 405 13.000 1.770 1.639 1.00 33.42 H new ATOM 0 HB2 ARG B 405 14.580 0.461 3.832 1.00 24.22 H new ATOM 0 HB3 ARG B 405 15.364 1.725 2.907 1.00 24.22 H new ATOM 0 HG2 ARG B 405 13.490 3.275 3.456 1.00 40.21 H new ATOM 0 HG3 ARG B 405 12.733 2.010 4.404 1.00 40.21 H new ATOM 0 HD2 ARG B 405 14.159 3.726 5.681 1.00 14.42 H new ATOM 0 HD3 ARG B 405 14.437 2.034 6.045 1.00 14.42 H new ATOM 0 HE ARG B 405 16.608 2.250 5.262 1.00 43.22 H new ATOM 0 HH11 ARG B 405 14.596 4.828 3.931 1.00 21.03 H new ATOM 0 HH12 ARG B 405 15.957 5.648 3.159 1.00 21.03 H new ATOM 0 HH21 ARG B 405 18.350 3.309 4.268 1.00 14.42 H new ATOM 0 HH22 ARG B 405 18.073 4.793 3.349 1.00 14.42 H new