USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 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 Single : A 607 CYS SG : rot 170:sc= -0.0221 USER MOD Single : A 608 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00588) USER MOD Single : A 610 MET CE :methyl -107:sc=-0.00115 (180deg=-0.231) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 GLN : amide:sc= -0.0611 K(o=-0.061,f=-1.1) USER MOD Single : A 619 SER OG : rot -78:sc= -0.134 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+ 151:sc= -0.65 (180deg=-1.8) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -1.7! K(o=-1.7!,f=0) USER MOD Single : A 639 SER OG : rot 103:sc= 1.19 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 145:sc= -0.637 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -11:sc= 0.763 USER MOD Single : B 393 GLN : amide:sc= -0.245 K(o=-0.25,f=-2.7!) USER MOD Single : B 395 SER OG : rot -150:sc= -0.286 USER MOD Single : B 396 GLN : amide:sc= -0.0445 K(o=-0.044,f=-1) USER MOD Single : B 397 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3.8!) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 180:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -15.784 4.837 5.956 1.00 52.12 N ATOM 107 CA CYS A 607 -14.794 3.951 5.355 1.00 45.14 C ATOM 108 C CYS A 607 -15.470 2.785 4.641 1.00 70.03 C ATOM 109 O CYS A 607 -15.983 1.866 5.279 1.00 62.43 O ATOM 110 CB CYS A 607 -13.836 3.423 6.424 1.00 45.32 C ATOM 111 SG CYS A 607 -12.944 4.717 7.319 1.00 1.01 S ATOM 0 HA CYS A 607 -14.228 4.524 4.621 1.00 45.14 H new ATOM 0 HB2 CYS A 607 -14.401 2.825 7.139 1.00 45.32 H new ATOM 0 HB3 CYS A 607 -13.113 2.758 5.952 1.00 45.32 H new ATOM 0 HG CYS A 607 -12.326 4.194 8.336 1.00 1.01 H new ATOM 117 N LYS A 608 -15.469 2.830 3.313 1.00 44.43 N ATOM 118 CA LYS A 608 -16.082 1.779 2.511 1.00 61.15 C ATOM 119 C LYS A 608 -15.080 0.667 2.213 1.00 14.32 C ATOM 120 O LYS A 608 -13.868 0.884 2.177 1.00 75.43 O ATOM 121 CB LYS A 608 -16.620 2.358 1.200 1.00 42.31 C ATOM 122 CG LYS A 608 -17.383 3.660 1.378 1.00 63.22 C ATOM 123 CD LYS A 608 -18.611 3.471 2.252 1.00 22.00 C ATOM 124 CE LYS A 608 -19.766 4.347 1.790 1.00 65.44 C ATOM 125 NZ LYS A 608 -20.418 3.803 0.566 1.00 61.13 N ATOM 0 H LYS A 608 -15.050 3.584 2.769 1.00 44.43 H new ATOM 0 HA LYS A 608 -16.909 1.357 3.082 1.00 61.15 H new ATOM 0 HB2 LYS A 608 -15.787 2.525 0.517 1.00 42.31 H new ATOM 0 HB3 LYS A 608 -17.275 1.624 0.730 1.00 42.31 H new ATOM 0 HG2 LYS A 608 -16.729 4.408 1.825 1.00 63.22 H new ATOM 0 HG3 LYS A 608 -17.685 4.042 0.403 1.00 63.22 H new ATOM 0 HD2 LYS A 608 -18.916 2.425 2.231 1.00 22.00 H new ATOM 0 HD3 LYS A 608 -18.363 3.710 3.286 1.00 22.00 H new ATOM 0 HE2 LYS A 608 -20.503 4.428 2.589 1.00 65.44 H new ATOM 0 HE3 LYS A 608 -19.401 5.354 1.590 1.00 65.44 H new ATOM 0 HZ1 LYS A 608 -20.909 4.570 0.064 1.00 61.13 H new ATOM 0 HZ2 LYS A 608 -19.696 3.388 -0.057 1.00 61.13 H new ATOM 0 HZ3 LYS A 608 -21.105 3.070 0.835 1.00 61.13 H new ATOM 139 N PRO A 609 -15.596 -0.552 1.994 1.00 12.52 N ATOM 140 CA PRO A 609 -14.764 -1.720 1.694 1.00 34.41 C ATOM 141 C PRO A 609 -14.121 -1.636 0.314 1.00 32.44 C ATOM 142 O PRO A 609 -14.658 -1.000 -0.592 1.00 51.10 O ATOM 143 CB PRO A 609 -15.756 -2.886 1.753 1.00 4.24 C ATOM 144 CG PRO A 609 -17.079 -2.272 1.452 1.00 42.13 C ATOM 145 CD PRO A 609 -17.030 -0.882 2.021 1.00 12.50 C ATOM 0 HA PRO A 609 -13.930 -1.816 2.389 1.00 34.41 H new ATOM 0 HB2 PRO A 609 -15.503 -3.658 1.026 1.00 4.24 H new ATOM 0 HB3 PRO A 609 -15.753 -3.359 2.735 1.00 4.24 H new ATOM 0 HG2 PRO A 609 -17.262 -2.248 0.378 1.00 42.13 H new ATOM 0 HG3 PRO A 609 -17.888 -2.849 1.900 1.00 42.13 H new ATOM 0 HD2 PRO A 609 -17.614 -0.182 1.423 1.00 12.50 H new ATOM 0 HD3 PRO A 609 -17.431 -0.848 3.034 1.00 12.50 H new ATOM 153 N MET A 610 -12.971 -2.284 0.161 1.00 12.53 N ATOM 154 CA MET A 610 -12.257 -2.282 -1.110 1.00 73.54 C ATOM 155 C MET A 610 -12.086 -3.704 -1.638 1.00 2.31 C ATOM 156 O MET A 610 -11.663 -4.600 -0.908 1.00 60.33 O ATOM 157 CB MET A 610 -10.889 -1.617 -0.951 1.00 23.12 C ATOM 158 CG MET A 610 -10.968 -0.158 -0.531 1.00 12.02 C ATOM 159 SD MET A 610 -11.537 0.918 -1.861 1.00 62.15 S ATOM 160 CE MET A 610 -9.981 1.349 -2.636 1.00 53.34 C ATOM 0 H MET A 610 -12.514 -2.817 0.901 1.00 12.53 H new ATOM 0 HA MET A 610 -12.847 -1.713 -1.829 1.00 73.54 H new ATOM 0 HB2 MET A 610 -10.310 -2.169 -0.211 1.00 23.12 H new ATOM 0 HB3 MET A 610 -10.349 -1.686 -1.895 1.00 23.12 H new ATOM 0 HG2 MET A 610 -11.643 -0.065 0.320 1.00 12.02 H new ATOM 0 HG3 MET A 610 -9.985 0.173 -0.196 1.00 12.02 H new ATOM 0 HE1 MET A 610 -9.731 2.383 -2.399 1.00 53.34 H new ATOM 0 HE2 MET A 610 -9.195 0.691 -2.265 1.00 53.34 H new ATOM 0 HE3 MET A 610 -10.069 1.235 -3.716 1.00 53.34 H new ATOM 170 N SER A 611 -12.416 -3.901 -2.910 1.00 35.20 N ATOM 171 CA SER A 611 -12.303 -5.214 -3.534 1.00 22.41 C ATOM 172 C SER A 611 -10.941 -5.383 -4.201 1.00 51.04 C ATOM 173 O SER A 611 -10.175 -4.428 -4.322 1.00 2.12 O ATOM 174 CB SER A 611 -13.416 -5.411 -4.566 1.00 0.52 C ATOM 175 OG SER A 611 -14.134 -6.607 -4.319 1.00 11.22 O ATOM 0 H SER A 611 -12.764 -3.168 -3.529 1.00 35.20 H new ATOM 0 HA SER A 611 -12.403 -5.969 -2.754 1.00 22.41 H new ATOM 0 HB2 SER A 611 -14.098 -4.561 -4.537 1.00 0.52 H new ATOM 0 HB3 SER A 611 -12.987 -5.441 -5.567 1.00 0.52 H new ATOM 0 HG SER A 611 -14.840 -6.709 -4.991 1.00 11.22 H new ATOM 181 N TYR A 612 -10.648 -6.605 -4.632 1.00 72.21 N ATOM 182 CA TYR A 612 -9.378 -6.901 -5.284 1.00 32.10 C ATOM 183 C TYR A 612 -9.213 -6.074 -6.556 1.00 73.52 C ATOM 184 O TYR A 612 -8.096 -5.748 -6.956 1.00 72.32 O ATOM 185 CB TYR A 612 -9.286 -8.391 -5.616 1.00 24.05 C ATOM 186 CG TYR A 612 -10.511 -8.932 -6.318 1.00 31.34 C ATOM 187 CD1 TYR A 612 -10.691 -8.749 -7.684 1.00 1.12 C ATOM 188 CD2 TYR A 612 -11.488 -9.626 -5.616 1.00 32.40 C ATOM 189 CE1 TYR A 612 -11.810 -9.241 -8.328 1.00 62.24 C ATOM 190 CE2 TYR A 612 -12.609 -10.124 -6.253 1.00 4.34 C ATOM 191 CZ TYR A 612 -12.765 -9.928 -7.609 1.00 40.33 C ATOM 192 OH TYR A 612 -13.879 -10.420 -8.248 1.00 72.22 O ATOM 0 H TYR A 612 -11.273 -7.406 -4.542 1.00 72.21 H new ATOM 0 HA TYR A 612 -8.575 -6.639 -4.595 1.00 32.10 H new ATOM 0 HB2 TYR A 612 -8.412 -8.561 -6.245 1.00 24.05 H new ATOM 0 HB3 TYR A 612 -9.129 -8.951 -4.694 1.00 24.05 H new ATOM 0 HD1 TYR A 612 -9.944 -8.214 -8.251 1.00 1.12 H new ATOM 0 HD2 TYR A 612 -11.370 -9.779 -4.553 1.00 32.40 H new ATOM 0 HE1 TYR A 612 -11.936 -9.088 -9.390 1.00 62.24 H new ATOM 0 HE2 TYR A 612 -13.358 -10.663 -5.692 1.00 4.34 H new ATOM 0 HH TYR A 612 -14.452 -10.879 -7.599 1.00 72.22 H new ATOM 202 N GLU A 613 -10.335 -5.739 -7.186 1.00 35.24 N ATOM 203 CA GLU A 613 -10.315 -4.951 -8.412 1.00 14.40 C ATOM 204 C GLU A 613 -9.602 -3.620 -8.193 1.00 1.43 C ATOM 205 O GLU A 613 -8.566 -3.352 -8.801 1.00 10.34 O ATOM 206 CB GLU A 613 -11.742 -4.701 -8.907 1.00 71.43 C ATOM 207 CG GLU A 613 -11.806 -3.951 -10.227 1.00 4.01 C ATOM 208 CD GLU A 613 -13.228 -3.729 -10.703 1.00 4.41 C ATOM 209 OE1 GLU A 613 -14.041 -3.202 -9.915 1.00 30.30 O ATOM 210 OE2 GLU A 613 -13.528 -4.081 -11.863 1.00 75.31 O ATOM 0 H GLU A 613 -11.268 -6.001 -6.868 1.00 35.24 H new ATOM 0 HA GLU A 613 -9.769 -5.516 -9.167 1.00 14.40 H new ATOM 0 HB2 GLU A 613 -12.252 -5.658 -9.017 1.00 71.43 H new ATOM 0 HB3 GLU A 613 -12.286 -4.135 -8.151 1.00 71.43 H new ATOM 0 HG2 GLU A 613 -11.309 -2.987 -10.117 1.00 4.01 H new ATOM 0 HG3 GLU A 613 -11.256 -4.509 -10.985 1.00 4.01 H new ATOM 217 N GLU A 614 -10.165 -2.790 -7.319 1.00 34.31 N ATOM 218 CA GLU A 614 -9.583 -1.487 -7.020 1.00 73.43 C ATOM 219 C GLU A 614 -8.247 -1.640 -6.299 1.00 31.53 C ATOM 220 O GLU A 614 -7.350 -0.810 -6.447 1.00 70.32 O ATOM 221 CB GLU A 614 -10.545 -0.658 -6.166 1.00 24.40 C ATOM 222 CG GLU A 614 -11.851 -0.327 -6.867 1.00 53.40 C ATOM 223 CD GLU A 614 -12.917 0.170 -5.910 1.00 14.54 C ATOM 224 OE1 GLU A 614 -12.608 0.338 -4.712 1.00 30.31 O ATOM 225 OE2 GLU A 614 -14.061 0.392 -6.360 1.00 53.12 O ATOM 0 H GLU A 614 -11.022 -2.997 -6.807 1.00 34.31 H new ATOM 0 HA GLU A 614 -9.409 -0.970 -7.964 1.00 73.43 H new ATOM 0 HB2 GLU A 614 -10.763 -1.203 -5.248 1.00 24.40 H new ATOM 0 HB3 GLU A 614 -10.052 0.270 -5.877 1.00 24.40 H new ATOM 0 HG2 GLU A 614 -11.669 0.432 -7.628 1.00 53.40 H new ATOM 0 HG3 GLU A 614 -12.217 -1.214 -7.384 1.00 53.40 H new ATOM 232 N LYS A 615 -8.122 -2.706 -5.517 1.00 33.43 N ATOM 233 CA LYS A 615 -6.898 -2.971 -4.772 1.00 61.44 C ATOM 234 C LYS A 615 -5.731 -3.235 -5.719 1.00 22.14 C ATOM 235 O LYS A 615 -4.644 -2.684 -5.549 1.00 1.02 O ATOM 236 CB LYS A 615 -7.092 -4.169 -3.839 1.00 44.23 C ATOM 237 CG LYS A 615 -7.707 -3.802 -2.499 1.00 73.12 C ATOM 238 CD LYS A 615 -8.582 -4.923 -1.963 1.00 3.33 C ATOM 239 CE LYS A 615 -7.838 -5.769 -0.940 1.00 33.21 C ATOM 240 NZ LYS A 615 -8.750 -6.296 0.112 1.00 20.44 N ATOM 0 H LYS A 615 -8.855 -3.402 -5.383 1.00 33.43 H new ATOM 0 HA LYS A 615 -6.668 -2.088 -4.176 1.00 61.44 H new ATOM 0 HB2 LYS A 615 -7.728 -4.904 -4.332 1.00 44.23 H new ATOM 0 HB3 LYS A 615 -6.127 -4.646 -3.668 1.00 44.23 H new ATOM 0 HG2 LYS A 615 -6.916 -3.582 -1.782 1.00 73.12 H new ATOM 0 HG3 LYS A 615 -8.301 -2.895 -2.606 1.00 73.12 H new ATOM 0 HD2 LYS A 615 -9.477 -4.501 -1.506 1.00 3.33 H new ATOM 0 HD3 LYS A 615 -8.913 -5.554 -2.788 1.00 3.33 H new ATOM 0 HE2 LYS A 615 -7.347 -6.601 -1.445 1.00 33.21 H new ATOM 0 HE3 LYS A 615 -7.054 -5.171 -0.475 1.00 33.21 H new ATOM 0 HZ1 LYS A 615 -8.205 -6.867 0.789 1.00 20.44 H new ATOM 0 HZ2 LYS A 615 -9.200 -5.502 0.611 1.00 20.44 H new ATOM 0 HZ3 LYS A 615 -9.483 -6.888 -0.329 1.00 20.44 H new ATOM 254 N ARG A 616 -5.966 -4.080 -6.718 1.00 62.23 N ATOM 255 CA ARG A 616 -4.934 -4.417 -7.693 1.00 10.45 C ATOM 256 C ARG A 616 -4.405 -3.160 -8.379 1.00 32.40 C ATOM 257 O ARG A 616 -3.244 -3.106 -8.783 1.00 45.22 O ATOM 258 CB ARG A 616 -5.487 -5.387 -8.737 1.00 15.24 C ATOM 259 CG ARG A 616 -6.136 -4.697 -9.926 1.00 21.41 C ATOM 260 CD ARG A 616 -5.141 -4.480 -11.055 1.00 73.33 C ATOM 261 NE ARG A 616 -5.596 -5.080 -12.308 1.00 22.32 N ATOM 262 CZ ARG A 616 -4.808 -5.268 -13.361 1.00 1.23 C ATOM 263 NH1 ARG A 616 -3.533 -4.906 -13.312 1.00 52.32 N ATOM 264 NH2 ARG A 616 -5.295 -5.820 -14.465 1.00 21.10 N ATOM 0 H ARG A 616 -6.861 -4.544 -6.874 1.00 62.23 H new ATOM 0 HA ARG A 616 -4.110 -4.896 -7.164 1.00 10.45 H new ATOM 0 HB2 ARG A 616 -4.677 -6.023 -9.094 1.00 15.24 H new ATOM 0 HB3 ARG A 616 -6.219 -6.040 -8.262 1.00 15.24 H new ATOM 0 HG2 ARG A 616 -6.971 -5.298 -10.286 1.00 21.41 H new ATOM 0 HG3 ARG A 616 -6.546 -3.737 -9.612 1.00 21.41 H new ATOM 0 HD2 ARG A 616 -4.985 -3.411 -11.200 1.00 73.33 H new ATOM 0 HD3 ARG A 616 -4.178 -4.908 -10.777 1.00 73.33 H new ATOM 0 HE ARG A 616 -6.571 -5.370 -12.378 1.00 22.32 H new ATOM 0 HH11 ARG A 616 -3.155 -4.482 -12.465 1.00 52.32 H new ATOM 0 HH12 ARG A 616 -2.930 -5.051 -14.122 1.00 52.32 H new ATOM 0 HH21 ARG A 616 -6.275 -6.100 -14.506 1.00 21.10 H new ATOM 0 HH22 ARG A 616 -4.689 -5.964 -15.273 1.00 21.10 H new ATOM 278 N GLN A 617 -5.265 -2.156 -8.507 1.00 43.55 N ATOM 279 CA GLN A 617 -4.884 -0.901 -9.146 1.00 44.11 C ATOM 280 C GLN A 617 -3.874 -0.141 -8.293 1.00 20.01 C ATOM 281 O GLN A 617 -2.968 0.509 -8.816 1.00 22.02 O ATOM 282 CB GLN A 617 -6.119 -0.033 -9.391 1.00 44.13 C ATOM 283 CG GLN A 617 -6.067 0.746 -10.696 1.00 24.13 C ATOM 284 CD GLN A 617 -5.364 2.081 -10.550 1.00 51.13 C ATOM 285 OE1 GLN A 617 -5.491 2.754 -9.526 1.00 52.23 O ATOM 286 NE2 GLN A 617 -4.620 2.474 -11.576 1.00 65.52 N ATOM 0 H GLN A 617 -6.230 -2.186 -8.177 1.00 43.55 H new ATOM 0 HA GLN A 617 -4.419 -1.136 -10.103 1.00 44.11 H new ATOM 0 HB2 GLN A 617 -7.005 -0.668 -9.392 1.00 44.13 H new ATOM 0 HB3 GLN A 617 -6.230 0.668 -8.564 1.00 44.13 H new ATOM 0 HG2 GLN A 617 -5.554 0.150 -11.451 1.00 24.13 H new ATOM 0 HG3 GLN A 617 -7.082 0.912 -11.057 1.00 24.13 H new ATOM 0 HE21 GLN A 617 -4.543 1.885 -12.405 1.00 65.52 H new ATOM 0 HE22 GLN A 617 -4.125 3.365 -11.536 1.00 65.52 H new ATOM 295 N LEU A 618 -4.036 -0.226 -6.977 1.00 53.41 N ATOM 296 CA LEU A 618 -3.139 0.455 -6.050 1.00 3.50 C ATOM 297 C LEU A 618 -1.721 -0.093 -6.163 1.00 24.51 C ATOM 298 O LEU A 618 -0.750 0.663 -6.169 1.00 33.01 O ATOM 299 CB LEU A 618 -3.645 0.302 -4.615 1.00 4.45 C ATOM 300 CG LEU A 618 -5.130 0.589 -4.392 1.00 0.45 C ATOM 301 CD1 LEU A 618 -5.553 0.162 -2.994 1.00 64.34 C ATOM 302 CD2 LEU A 618 -5.427 2.065 -4.613 1.00 13.22 C ATOM 0 H LEU A 618 -4.780 -0.760 -6.528 1.00 53.41 H new ATOM 0 HA LEU A 618 -3.121 1.513 -6.311 1.00 3.50 H new ATOM 0 HB2 LEU A 618 -3.439 -0.716 -4.285 1.00 4.45 H new ATOM 0 HB3 LEU A 618 -3.067 0.968 -3.974 1.00 4.45 H new ATOM 0 HG LEU A 618 -5.704 0.011 -5.116 1.00 0.45 H new ATOM 0 HD11 LEU A 618 -6.613 0.374 -2.854 1.00 64.34 H new ATOM 0 HD12 LEU A 618 -5.378 -0.907 -2.871 1.00 64.34 H new ATOM 0 HD13 LEU A 618 -4.972 0.712 -2.254 1.00 64.34 H new ATOM 0 HD21 LEU A 618 -6.489 2.251 -4.450 1.00 13.22 H new ATOM 0 HD22 LEU A 618 -4.842 2.662 -3.913 1.00 13.22 H new ATOM 0 HD23 LEU A 618 -5.163 2.340 -5.634 1.00 13.22 H new ATOM 314 N SER A 619 -1.608 -1.415 -6.254 1.00 71.11 N ATOM 315 CA SER A 619 -0.309 -2.066 -6.365 1.00 62.12 C ATOM 316 C SER A 619 0.438 -1.581 -7.605 1.00 53.10 C ATOM 317 O SER A 619 1.630 -1.275 -7.547 1.00 31.21 O ATOM 318 CB SER A 619 -0.478 -3.585 -6.421 1.00 20.44 C ATOM 319 OG SER A 619 -0.267 -4.075 -7.734 1.00 15.35 O ATOM 0 H SER A 619 -2.402 -2.056 -6.253 1.00 71.11 H new ATOM 0 HA SER A 619 0.276 -1.805 -5.483 1.00 62.12 H new ATOM 0 HB2 SER A 619 0.226 -4.058 -5.736 1.00 20.44 H new ATOM 0 HB3 SER A 619 -1.479 -3.855 -6.086 1.00 20.44 H new ATOM 0 HG SER A 619 -1.061 -3.899 -8.280 1.00 15.35 H new ATOM 325 N LEU A 620 -0.273 -1.512 -8.725 1.00 65.32 N ATOM 326 CA LEU A 620 0.321 -1.064 -9.981 1.00 61.41 C ATOM 327 C LEU A 620 0.663 0.422 -9.922 1.00 73.23 C ATOM 328 O LEU A 620 1.805 0.816 -10.155 1.00 20.24 O ATOM 329 CB LEU A 620 -0.634 -1.334 -11.144 1.00 51.04 C ATOM 330 CG LEU A 620 -0.203 -0.790 -12.506 1.00 73.32 C ATOM 331 CD1 LEU A 620 0.461 -1.882 -13.332 1.00 12.40 C ATOM 332 CD2 LEU A 620 -1.397 -0.207 -13.250 1.00 61.55 C ATOM 0 H LEU A 620 -1.260 -1.760 -8.790 1.00 65.32 H new ATOM 0 HA LEU A 620 1.243 -1.624 -10.139 1.00 61.41 H new ATOM 0 HB2 LEU A 620 -0.771 -2.412 -11.232 1.00 51.04 H new ATOM 0 HB3 LEU A 620 -1.606 -0.908 -10.896 1.00 51.04 H new ATOM 0 HG LEU A 620 0.523 0.007 -12.344 1.00 73.32 H new ATOM 0 HD11 LEU A 620 0.761 -1.476 -14.298 1.00 12.40 H new ATOM 0 HD12 LEU A 620 1.340 -2.253 -12.805 1.00 12.40 H new ATOM 0 HD13 LEU A 620 -0.242 -2.701 -13.485 1.00 12.40 H new ATOM 0 HD21 LEU A 620 -1.071 0.176 -14.217 1.00 61.55 H new ATOM 0 HD22 LEU A 620 -2.147 -0.984 -13.401 1.00 61.55 H new ATOM 0 HD23 LEU A 620 -1.829 0.605 -12.665 1.00 61.55 H new ATOM 344 N ASP A 621 -0.335 1.240 -9.608 1.00 10.25 N ATOM 345 CA ASP A 621 -0.141 2.682 -9.515 1.00 2.40 C ATOM 346 C ASP A 621 1.037 3.014 -8.603 1.00 71.15 C ATOM 347 O ASP A 621 2.017 3.623 -9.036 1.00 15.23 O ATOM 348 CB ASP A 621 -1.410 3.358 -8.994 1.00 72.25 C ATOM 349 CG ASP A 621 -1.746 4.626 -9.755 1.00 60.30 C ATOM 350 OD1 ASP A 621 -0.806 5.349 -10.146 1.00 42.41 O ATOM 351 OD2 ASP A 621 -2.947 4.894 -9.960 1.00 73.35 O ATOM 0 H ASP A 621 -1.287 0.929 -9.414 1.00 10.25 H new ATOM 0 HA ASP A 621 0.077 3.059 -10.514 1.00 2.40 H new ATOM 0 HB2 ASP A 621 -2.245 2.662 -9.068 1.00 72.25 H new ATOM 0 HB3 ASP A 621 -1.284 3.595 -7.937 1.00 72.25 H new ATOM 356 N ILE A 622 0.934 2.611 -7.342 1.00 14.00 N ATOM 357 CA ILE A 622 1.990 2.866 -6.371 1.00 31.33 C ATOM 358 C ILE A 622 3.341 2.384 -6.888 1.00 21.21 C ATOM 359 O ILE A 622 4.335 3.107 -6.827 1.00 50.23 O ATOM 360 CB ILE A 622 1.695 2.179 -5.024 1.00 75.11 C ATOM 361 CG1 ILE A 622 0.487 2.831 -4.348 1.00 52.33 C ATOM 362 CG2 ILE A 622 2.915 2.243 -4.118 1.00 10.03 C ATOM 363 CD1 ILE A 622 -0.191 1.940 -3.331 1.00 72.30 C ATOM 0 H ILE A 622 0.130 2.106 -6.969 1.00 14.00 H new ATOM 0 HA ILE A 622 2.025 3.945 -6.220 1.00 31.33 H new ATOM 0 HB ILE A 622 1.461 1.131 -5.211 1.00 75.11 H new ATOM 0 HG12 ILE A 622 0.808 3.750 -3.857 1.00 52.33 H new ATOM 0 HG13 ILE A 622 -0.238 3.114 -5.112 1.00 52.33 H new ATOM 0 HG21 ILE A 622 2.691 1.753 -3.170 1.00 10.03 H new ATOM 0 HG22 ILE A 622 3.752 1.737 -4.599 1.00 10.03 H new ATOM 0 HG23 ILE A 622 3.178 3.285 -3.935 1.00 10.03 H new ATOM 0 HD11 ILE A 622 -1.038 2.467 -2.893 1.00 72.30 H new ATOM 0 HD12 ILE A 622 -0.543 1.032 -3.820 1.00 72.30 H new ATOM 0 HD13 ILE A 622 0.519 1.678 -2.546 1.00 72.30 H new ATOM 375 N ASN A 623 3.370 1.158 -7.401 1.00 13.35 N ATOM 376 CA ASN A 623 4.598 0.579 -7.931 1.00 4.51 C ATOM 377 C ASN A 623 5.156 1.432 -9.066 1.00 41.42 C ATOM 378 O ASN A 623 6.370 1.571 -9.216 1.00 12.23 O ATOM 379 CB ASN A 623 4.343 -0.846 -8.427 1.00 4.24 C ATOM 380 CG ASN A 623 5.431 -1.335 -9.363 1.00 71.21 C ATOM 381 OD1 ASN A 623 5.236 -1.404 -10.576 1.00 41.24 O ATOM 382 ND2 ASN A 623 6.585 -1.678 -8.802 1.00 32.20 N ATOM 0 H ASN A 623 2.556 0.546 -7.461 1.00 13.35 H new ATOM 0 HA ASN A 623 5.333 0.550 -7.126 1.00 4.51 H new ATOM 0 HB2 ASN A 623 4.274 -1.519 -7.572 1.00 4.24 H new ATOM 0 HB3 ASN A 623 3.382 -0.883 -8.940 1.00 4.24 H new ATOM 0 HD21 ASN A 623 7.354 -2.015 -9.382 1.00 32.20 H new ATOM 0 HD22 ASN A 623 6.703 -1.605 -7.791 1.00 32.20 H new ATOM 389 N LYS A 624 4.260 2.004 -9.864 1.00 70.51 N ATOM 390 CA LYS A 624 4.661 2.846 -10.985 1.00 74.42 C ATOM 391 C LYS A 624 5.115 4.218 -10.500 1.00 12.01 C ATOM 392 O LYS A 624 5.947 4.868 -11.134 1.00 20.21 O ATOM 393 CB LYS A 624 3.501 3.001 -11.973 1.00 21.13 C ATOM 394 CG LYS A 624 3.943 3.391 -13.373 1.00 35.04 C ATOM 395 CD LYS A 624 2.752 3.632 -14.285 1.00 71.03 C ATOM 396 CE LYS A 624 3.090 4.621 -15.390 1.00 55.53 C ATOM 397 NZ LYS A 624 2.381 5.918 -15.210 1.00 15.32 N ATOM 0 H LYS A 624 3.251 1.900 -9.755 1.00 70.51 H new ATOM 0 HA LYS A 624 5.498 2.363 -11.489 1.00 74.42 H new ATOM 0 HB2 LYS A 624 2.950 2.062 -12.023 1.00 21.13 H new ATOM 0 HB3 LYS A 624 2.811 3.756 -11.595 1.00 21.13 H new ATOM 0 HG2 LYS A 624 4.554 4.292 -13.325 1.00 35.04 H new ATOM 0 HG3 LYS A 624 4.569 2.603 -13.791 1.00 35.04 H new ATOM 0 HD2 LYS A 624 2.432 2.688 -14.725 1.00 71.03 H new ATOM 0 HD3 LYS A 624 1.914 4.011 -13.699 1.00 71.03 H new ATOM 0 HE2 LYS A 624 4.166 4.794 -15.405 1.00 55.53 H new ATOM 0 HE3 LYS A 624 2.823 4.192 -16.356 1.00 55.53 H new ATOM 0 HZ1 LYS A 624 2.638 6.564 -15.983 1.00 15.32 H new ATOM 0 HZ2 LYS A 624 1.354 5.756 -15.221 1.00 15.32 H new ATOM 0 HZ3 LYS A 624 2.655 6.340 -14.300 1.00 15.32 H new ATOM 411 N LEU A 625 4.566 4.653 -9.371 1.00 1.32 N ATOM 412 CA LEU A 625 4.917 5.949 -8.799 1.00 53.21 C ATOM 413 C LEU A 625 6.402 6.009 -8.457 1.00 53.23 C ATOM 414 O LEU A 625 7.071 4.987 -8.307 1.00 70.31 O ATOM 415 CB LEU A 625 4.081 6.218 -7.546 1.00 50.42 C ATOM 416 CG LEU A 625 2.918 7.198 -7.712 1.00 63.32 C ATOM 417 CD1 LEU A 625 2.042 6.790 -8.886 1.00 14.21 C ATOM 418 CD2 LEU A 625 2.099 7.274 -6.433 1.00 12.33 C ATOM 0 H LEU A 625 3.876 4.128 -8.834 1.00 1.32 H new ATOM 0 HA LEU A 625 4.704 6.717 -9.542 1.00 53.21 H new ATOM 0 HB2 LEU A 625 3.682 5.269 -7.189 1.00 50.42 H new ATOM 0 HB3 LEU A 625 4.742 6.598 -6.767 1.00 50.42 H new ATOM 0 HG LEU A 625 3.326 8.188 -7.917 1.00 63.32 H new ATOM 0 HD11 LEU A 625 1.220 7.498 -8.990 1.00 14.21 H new ATOM 0 HD12 LEU A 625 2.636 6.788 -9.800 1.00 14.21 H new ATOM 0 HD13 LEU A 625 1.641 5.791 -8.711 1.00 14.21 H new ATOM 0 HD21 LEU A 625 1.276 7.976 -6.569 1.00 12.33 H new ATOM 0 HD22 LEU A 625 1.700 6.288 -6.198 1.00 12.33 H new ATOM 0 HD23 LEU A 625 2.734 7.613 -5.614 1.00 12.33 H new ATOM 430 N PRO A 626 6.930 7.235 -8.328 1.00 24.22 N ATOM 431 CA PRO A 626 8.342 7.457 -8.000 1.00 11.52 C ATOM 432 C PRO A 626 8.672 7.057 -6.566 1.00 3.24 C ATOM 433 O PRO A 626 7.780 6.880 -5.739 1.00 22.42 O ATOM 434 CB PRO A 626 8.515 8.967 -8.187 1.00 61.11 C ATOM 435 CG PRO A 626 7.153 9.534 -7.980 1.00 2.10 C ATOM 436 CD PRO A 626 6.191 8.498 -8.493 1.00 20.41 C ATOM 0 HA PRO A 626 9.006 6.857 -8.623 1.00 11.52 H new ATOM 0 HB2 PRO A 626 9.227 9.376 -7.470 1.00 61.11 H new ATOM 0 HB3 PRO A 626 8.894 9.202 -9.182 1.00 61.11 H new ATOM 0 HG2 PRO A 626 6.974 9.745 -6.926 1.00 2.10 H new ATOM 0 HG3 PRO A 626 7.036 10.475 -8.517 1.00 2.10 H new ATOM 0 HD2 PRO A 626 5.261 8.497 -7.924 1.00 20.41 H new ATOM 0 HD3 PRO A 626 5.927 8.676 -9.535 1.00 20.41 H new ATOM 444 N GLY A 627 9.964 6.918 -6.278 1.00 34.21 N ATOM 445 CA GLY A 627 10.389 6.539 -4.944 1.00 4.52 C ATOM 446 C GLY A 627 9.775 7.414 -3.869 1.00 53.40 C ATOM 447 O GLY A 627 9.135 6.914 -2.944 1.00 41.23 O ATOM 0 H GLY A 627 10.722 7.061 -6.945 1.00 34.21 H new ATOM 0 HA2 GLY A 627 10.117 5.499 -4.761 1.00 4.52 H new ATOM 0 HA3 GLY A 627 11.475 6.600 -4.881 1.00 4.52 H new ATOM 451 N GLU A 628 9.970 8.724 -3.991 1.00 62.22 N ATOM 452 CA GLU A 628 9.432 9.669 -3.020 1.00 55.44 C ATOM 453 C GLU A 628 7.947 9.410 -2.773 1.00 65.53 C ATOM 454 O GLU A 628 7.461 9.543 -1.650 1.00 75.03 O ATOM 455 CB GLU A 628 9.635 11.105 -3.506 1.00 40.11 C ATOM 456 CG GLU A 628 8.925 12.143 -2.654 1.00 2.54 C ATOM 457 CD GLU A 628 9.196 13.562 -3.116 1.00 60.33 C ATOM 458 OE1 GLU A 628 8.828 13.894 -4.262 1.00 65.21 O ATOM 459 OE2 GLU A 628 9.775 14.341 -2.330 1.00 22.03 O ATOM 0 H GLU A 628 10.496 9.154 -4.752 1.00 62.22 H new ATOM 0 HA GLU A 628 9.969 9.531 -2.082 1.00 55.44 H new ATOM 0 HB2 GLU A 628 10.702 11.327 -3.520 1.00 40.11 H new ATOM 0 HB3 GLU A 628 9.279 11.186 -4.533 1.00 40.11 H new ATOM 0 HG2 GLU A 628 7.852 11.956 -2.679 1.00 2.54 H new ATOM 0 HG3 GLU A 628 9.243 12.036 -1.617 1.00 2.54 H new ATOM 466 N LYS A 629 7.234 9.040 -3.831 1.00 44.15 N ATOM 467 CA LYS A 629 5.807 8.761 -3.732 1.00 35.45 C ATOM 468 C LYS A 629 5.551 7.536 -2.859 1.00 61.15 C ATOM 469 O LYS A 629 4.612 7.515 -2.062 1.00 71.42 O ATOM 470 CB LYS A 629 5.211 8.541 -5.124 1.00 51.20 C ATOM 471 CG LYS A 629 4.385 9.715 -5.625 1.00 22.53 C ATOM 472 CD LYS A 629 5.181 11.009 -5.592 1.00 54.54 C ATOM 473 CE LYS A 629 5.099 11.747 -6.920 1.00 32.53 C ATOM 474 NZ LYS A 629 6.363 12.469 -7.232 1.00 25.11 N ATOM 0 H LYS A 629 7.622 8.926 -4.768 1.00 44.15 H new ATOM 0 HA LYS A 629 5.326 9.623 -3.269 1.00 35.45 H new ATOM 0 HB2 LYS A 629 6.019 8.349 -5.830 1.00 51.20 H new ATOM 0 HB3 LYS A 629 4.585 7.649 -5.105 1.00 51.20 H new ATOM 0 HG2 LYS A 629 4.051 9.518 -6.644 1.00 22.53 H new ATOM 0 HG3 LYS A 629 3.491 9.821 -5.011 1.00 22.53 H new ATOM 0 HD2 LYS A 629 4.804 11.649 -4.795 1.00 54.54 H new ATOM 0 HD3 LYS A 629 6.223 10.791 -5.359 1.00 54.54 H new ATOM 0 HE2 LYS A 629 4.880 11.037 -7.717 1.00 32.53 H new ATOM 0 HE3 LYS A 629 4.273 12.457 -6.890 1.00 32.53 H new ATOM 0 HZ1 LYS A 629 6.481 12.533 -8.263 1.00 25.11 H new ATOM 0 HZ2 LYS A 629 6.325 13.426 -6.827 1.00 25.11 H new ATOM 0 HZ3 LYS A 629 7.168 11.952 -6.823 1.00 25.11 H new ATOM 488 N LEU A 630 6.392 6.520 -3.014 1.00 74.11 N ATOM 489 CA LEU A 630 6.258 5.292 -2.239 1.00 30.45 C ATOM 490 C LEU A 630 6.547 5.545 -0.762 1.00 31.42 C ATOM 491 O LEU A 630 5.834 5.057 0.114 1.00 54.53 O ATOM 492 CB LEU A 630 7.204 4.218 -2.778 1.00 41.24 C ATOM 493 CG LEU A 630 6.796 2.768 -2.514 1.00 4.23 C ATOM 494 CD1 LEU A 630 6.614 2.018 -3.824 1.00 32.23 C ATOM 495 CD2 LEU A 630 7.830 2.074 -1.639 1.00 52.30 C ATOM 0 H LEU A 630 7.174 6.522 -3.669 1.00 74.11 H new ATOM 0 HA LEU A 630 5.230 4.943 -2.335 1.00 30.45 H new ATOM 0 HB2 LEU A 630 7.302 4.356 -3.855 1.00 41.24 H new ATOM 0 HB3 LEU A 630 8.191 4.381 -2.345 1.00 41.24 H new ATOM 0 HG LEU A 630 5.843 2.769 -1.985 1.00 4.23 H new ATOM 0 HD11 LEU A 630 6.324 0.988 -3.616 1.00 32.23 H new ATOM 0 HD12 LEU A 630 5.837 2.502 -4.415 1.00 32.23 H new ATOM 0 HD13 LEU A 630 7.551 2.026 -4.381 1.00 32.23 H new ATOM 0 HD21 LEU A 630 7.523 1.043 -1.461 1.00 52.30 H new ATOM 0 HD22 LEU A 630 8.797 2.083 -2.142 1.00 52.30 H new ATOM 0 HD23 LEU A 630 7.911 2.598 -0.686 1.00 52.30 H new ATOM 507 N GLY A 631 7.599 6.312 -0.494 1.00 3.03 N ATOM 508 CA GLY A 631 7.964 6.618 0.876 1.00 1.54 C ATOM 509 C GLY A 631 6.785 7.109 1.694 1.00 4.11 C ATOM 510 O GLY A 631 6.599 6.696 2.838 1.00 22.45 O ATOM 0 H GLY A 631 8.205 6.727 -1.202 1.00 3.03 H new ATOM 0 HA2 GLY A 631 8.382 5.727 1.345 1.00 1.54 H new ATOM 0 HA3 GLY A 631 8.746 7.377 0.880 1.00 1.54 H new ATOM 514 N ARG A 632 5.987 7.995 1.107 1.00 54.52 N ATOM 515 CA ARG A 632 4.822 8.545 1.789 1.00 2.31 C ATOM 516 C ARG A 632 3.728 7.490 1.932 1.00 44.35 C ATOM 517 O ARG A 632 3.150 7.322 3.006 1.00 1.23 O ATOM 518 CB ARG A 632 4.282 9.756 1.026 1.00 12.14 C ATOM 519 CG ARG A 632 5.244 10.931 0.988 1.00 45.50 C ATOM 520 CD ARG A 632 5.138 11.697 -0.321 1.00 14.51 C ATOM 521 NE ARG A 632 5.708 13.038 -0.219 1.00 21.25 N ATOM 522 CZ ARG A 632 5.912 13.831 -1.264 1.00 52.12 C ATOM 523 NH1 ARG A 632 5.594 13.420 -2.484 1.00 41.55 N ATOM 524 NH2 ARG A 632 6.436 15.037 -1.091 1.00 50.43 N ATOM 0 H ARG A 632 6.126 8.347 0.160 1.00 54.52 H new ATOM 0 HA ARG A 632 5.131 8.861 2.785 1.00 2.31 H new ATOM 0 HB2 ARG A 632 4.048 9.456 0.005 1.00 12.14 H new ATOM 0 HB3 ARG A 632 3.348 10.077 1.486 1.00 12.14 H new ATOM 0 HG2 ARG A 632 5.034 11.602 1.821 1.00 45.50 H new ATOM 0 HG3 ARG A 632 6.265 10.571 1.118 1.00 45.50 H new ATOM 0 HD2 ARG A 632 5.652 11.144 -1.107 1.00 14.51 H new ATOM 0 HD3 ARG A 632 4.091 11.770 -0.615 1.00 14.51 H new ATOM 0 HE ARG A 632 5.963 13.384 0.706 1.00 21.25 H new ATOM 0 HH11 ARG A 632 5.192 12.493 -2.621 1.00 41.55 H new ATOM 0 HH12 ARG A 632 5.752 14.031 -3.285 1.00 41.55 H new ATOM 0 HH21 ARG A 632 6.683 15.356 -0.154 1.00 50.43 H new ATOM 0 HH22 ARG A 632 6.592 15.645 -1.895 1.00 50.43 H new ATOM 538 N VAL A 633 3.448 6.784 0.842 1.00 62.22 N ATOM 539 CA VAL A 633 2.425 5.746 0.845 1.00 31.31 C ATOM 540 C VAL A 633 2.715 4.692 1.908 1.00 61.54 C ATOM 541 O VAL A 633 1.881 4.419 2.771 1.00 34.33 O ATOM 542 CB VAL A 633 2.318 5.058 -0.529 1.00 10.23 C ATOM 543 CG1 VAL A 633 1.252 3.973 -0.502 1.00 63.01 C ATOM 544 CG2 VAL A 633 2.022 6.081 -1.615 1.00 33.15 C ATOM 0 H VAL A 633 3.916 6.912 -0.055 1.00 62.22 H new ATOM 0 HA VAL A 633 1.478 6.236 1.072 1.00 31.31 H new ATOM 0 HB VAL A 633 3.275 4.588 -0.756 1.00 10.23 H new ATOM 0 HG11 VAL A 633 1.191 3.498 -1.481 1.00 63.01 H new ATOM 0 HG12 VAL A 633 1.512 3.226 0.248 1.00 63.01 H new ATOM 0 HG13 VAL A 633 0.288 4.416 -0.253 1.00 63.01 H new ATOM 0 HG21 VAL A 633 1.950 5.578 -2.579 1.00 33.15 H new ATOM 0 HG22 VAL A 633 1.079 6.582 -1.396 1.00 33.15 H new ATOM 0 HG23 VAL A 633 2.825 6.818 -1.650 1.00 33.15 H new ATOM 554 N VAL A 634 3.904 4.101 1.838 1.00 0.35 N ATOM 555 CA VAL A 634 4.306 3.077 2.796 1.00 72.32 C ATOM 556 C VAL A 634 4.121 3.562 4.229 1.00 23.02 C ATOM 557 O VAL A 634 3.782 2.783 5.121 1.00 72.14 O ATOM 558 CB VAL A 634 5.774 2.662 2.591 1.00 44.33 C ATOM 559 CG1 VAL A 634 6.120 1.467 3.465 1.00 75.51 C ATOM 560 CG2 VAL A 634 6.042 2.357 1.124 1.00 21.41 C ATOM 0 H VAL A 634 4.605 4.314 1.128 1.00 0.35 H new ATOM 0 HA VAL A 634 3.665 2.213 2.623 1.00 72.32 H new ATOM 0 HB VAL A 634 6.413 3.494 2.888 1.00 44.33 H new ATOM 0 HG11 VAL A 634 7.162 1.189 3.306 1.00 75.51 H new ATOM 0 HG12 VAL A 634 5.970 1.727 4.513 1.00 75.51 H new ATOM 0 HG13 VAL A 634 5.476 0.627 3.204 1.00 75.51 H new ATOM 0 HG21 VAL A 634 7.085 2.065 0.998 1.00 21.41 H new ATOM 0 HG22 VAL A 634 5.395 1.543 0.798 1.00 21.41 H new ATOM 0 HG23 VAL A 634 5.838 3.244 0.525 1.00 21.41 H new ATOM 570 N HIS A 635 4.346 4.854 4.444 1.00 4.40 N ATOM 571 CA HIS A 635 4.203 5.445 5.771 1.00 64.11 C ATOM 572 C HIS A 635 2.765 5.326 6.266 1.00 30.40 C ATOM 573 O HIS A 635 2.522 5.177 7.465 1.00 41.41 O ATOM 574 CB HIS A 635 4.627 6.913 5.747 1.00 54.45 C ATOM 575 CG HIS A 635 5.058 7.435 7.083 1.00 33.21 C ATOM 576 ND1 HIS A 635 6.331 7.259 7.585 1.00 73.52 N ATOM 577 CD2 HIS A 635 4.378 8.132 8.023 1.00 53.24 C ATOM 578 CE1 HIS A 635 6.414 7.824 8.775 1.00 22.23 C ATOM 579 NE2 HIS A 635 5.243 8.362 9.064 1.00 34.54 N ATOM 0 H HIS A 635 4.628 5.512 3.717 1.00 4.40 H new ATOM 0 HA HIS A 635 4.851 4.899 6.457 1.00 64.11 H new ATOM 0 HB2 HIS A 635 5.446 7.034 5.038 1.00 54.45 H new ATOM 0 HB3 HIS A 635 3.796 7.516 5.381 1.00 54.45 H new ATOM 0 HD2 HIS A 635 3.347 8.448 7.965 1.00 53.24 H new ATOM 0 HE1 HIS A 635 7.291 7.843 9.405 1.00 22.23 H new ATOM 0 HE2 HIS A 635 5.018 8.866 9.921 1.00 34.54 H new ATOM 587 N ILE A 636 1.817 5.392 5.338 1.00 53.32 N ATOM 588 CA ILE A 636 0.405 5.291 5.682 1.00 54.30 C ATOM 589 C ILE A 636 0.013 3.849 5.984 1.00 22.31 C ATOM 590 O ILE A 636 -0.848 3.593 6.826 1.00 71.45 O ATOM 591 CB ILE A 636 -0.490 5.827 4.548 1.00 32.02 C ATOM 592 CG1 ILE A 636 0.199 6.990 3.832 1.00 51.25 C ATOM 593 CG2 ILE A 636 -1.841 6.262 5.099 1.00 64.33 C ATOM 594 CD1 ILE A 636 -0.735 7.799 2.957 1.00 5.15 C ATOM 0 H ILE A 636 2.001 5.515 4.342 1.00 53.32 H new ATOM 0 HA ILE A 636 0.254 5.900 6.573 1.00 54.30 H new ATOM 0 HB ILE A 636 -0.655 5.027 3.826 1.00 32.02 H new ATOM 0 HG12 ILE A 636 0.649 7.648 4.575 1.00 51.25 H new ATOM 0 HG13 ILE A 636 1.011 6.599 3.219 1.00 51.25 H new ATOM 0 HG21 ILE A 636 -2.462 6.638 4.286 1.00 64.33 H new ATOM 0 HG22 ILE A 636 -2.334 5.410 5.568 1.00 64.33 H new ATOM 0 HG23 ILE A 636 -1.696 7.049 5.839 1.00 64.33 H new ATOM 0 HD11 ILE A 636 -0.179 8.607 2.481 1.00 5.15 H new ATOM 0 HD12 ILE A 636 -1.166 7.154 2.191 1.00 5.15 H new ATOM 0 HD13 ILE A 636 -1.533 8.220 3.568 1.00 5.15 H new ATOM 606 N ILE A 637 0.653 2.912 5.294 1.00 25.43 N ATOM 607 CA ILE A 637 0.375 1.495 5.491 1.00 31.22 C ATOM 608 C ILE A 637 1.032 0.977 6.767 1.00 45.33 C ATOM 609 O ILE A 637 0.413 0.253 7.545 1.00 43.10 O ATOM 610 CB ILE A 637 0.863 0.653 4.298 1.00 71.34 C ATOM 611 CG1 ILE A 637 0.196 1.127 3.005 1.00 2.21 C ATOM 612 CG2 ILE A 637 0.578 -0.822 4.537 1.00 73.45 C ATOM 613 CD1 ILE A 637 0.608 0.333 1.786 1.00 74.13 C ATOM 0 H ILE A 637 1.368 3.108 4.593 1.00 25.43 H new ATOM 0 HA ILE A 637 -0.707 1.396 5.576 1.00 31.22 H new ATOM 0 HB ILE A 637 1.941 0.782 4.198 1.00 71.34 H new ATOM 0 HG12 ILE A 637 -0.886 1.065 3.120 1.00 2.21 H new ATOM 0 HG13 ILE A 637 0.440 2.177 2.844 1.00 2.21 H new ATOM 0 HG21 ILE A 637 0.929 -1.403 3.684 1.00 73.45 H new ATOM 0 HG22 ILE A 637 1.095 -1.151 5.438 1.00 73.45 H new ATOM 0 HG23 ILE A 637 -0.495 -0.970 4.660 1.00 73.45 H new ATOM 0 HD11 ILE A 637 0.096 0.725 0.907 1.00 74.13 H new ATOM 0 HD12 ILE A 637 1.686 0.415 1.645 1.00 74.13 H new ATOM 0 HD13 ILE A 637 0.339 -0.714 1.926 1.00 74.13 H new ATOM 625 N GLN A 638 2.290 1.355 6.972 1.00 31.03 N ATOM 626 CA GLN A 638 3.032 0.930 8.154 1.00 35.50 C ATOM 627 C GLN A 638 2.524 1.645 9.402 1.00 42.04 C ATOM 628 O GLN A 638 2.829 1.246 10.525 1.00 53.42 O ATOM 629 CB GLN A 638 4.525 1.199 7.968 1.00 23.13 C ATOM 630 CG GLN A 638 4.893 2.671 8.054 1.00 10.22 C ATOM 631 CD GLN A 638 6.389 2.906 7.975 1.00 62.54 C ATOM 632 OE1 GLN A 638 7.005 3.394 8.923 1.00 33.20 O ATOM 633 NE2 GLN A 638 6.984 2.557 6.839 1.00 33.44 N ATOM 0 H GLN A 638 2.816 1.954 6.336 1.00 31.03 H new ATOM 0 HA GLN A 638 2.877 -0.141 8.284 1.00 35.50 H new ATOM 0 HB2 GLN A 638 5.082 0.649 8.726 1.00 23.13 H new ATOM 0 HB3 GLN A 638 4.838 0.811 6.999 1.00 23.13 H new ATOM 0 HG2 GLN A 638 4.401 3.212 7.246 1.00 10.22 H new ATOM 0 HG3 GLN A 638 4.514 3.082 8.990 1.00 10.22 H new ATOM 0 HE21 GLN A 638 6.436 2.156 6.078 1.00 33.44 H new ATOM 0 HE22 GLN A 638 7.989 2.690 6.728 1.00 33.44 H new ATOM 642 N SER A 639 1.749 2.705 9.196 1.00 53.31 N ATOM 643 CA SER A 639 1.203 3.480 10.304 1.00 60.41 C ATOM 644 C SER A 639 -0.122 2.890 10.778 1.00 30.21 C ATOM 645 O SER A 639 -0.463 2.971 11.958 1.00 63.41 O ATOM 646 CB SER A 639 1.004 4.938 9.886 1.00 42.22 C ATOM 647 OG SER A 639 2.212 5.671 10.001 1.00 72.50 O ATOM 0 H SER A 639 1.485 3.047 8.272 1.00 53.31 H new ATOM 0 HA SER A 639 1.915 3.440 11.128 1.00 60.41 H new ATOM 0 HB2 SER A 639 0.647 4.979 8.857 1.00 42.22 H new ATOM 0 HB3 SER A 639 0.236 5.397 10.509 1.00 42.22 H new ATOM 0 HG SER A 639 2.605 5.795 9.112 1.00 72.50 H new ATOM 653 N ARG A 640 -0.864 2.296 9.850 1.00 44.13 N ATOM 654 CA ARG A 640 -2.151 1.693 10.171 1.00 14.11 C ATOM 655 C ARG A 640 -2.009 0.190 10.389 1.00 31.43 C ATOM 656 O ARG A 640 -2.715 -0.399 11.207 1.00 1.15 O ATOM 657 CB ARG A 640 -3.159 1.964 9.052 1.00 72.42 C ATOM 658 CG ARG A 640 -4.003 3.207 9.280 1.00 63.04 C ATOM 659 CD ARG A 640 -3.141 4.458 9.357 1.00 74.12 C ATOM 660 NE ARG A 640 -2.947 4.904 10.734 1.00 62.11 N ATOM 661 CZ ARG A 640 -2.346 6.043 11.059 1.00 14.31 C ATOM 662 NH1 ARG A 640 -1.885 6.847 10.111 1.00 13.44 N ATOM 663 NH2 ARG A 640 -2.207 6.381 12.336 1.00 75.44 N ATOM 0 H ARG A 640 -0.596 2.219 8.869 1.00 44.13 H new ATOM 0 HA ARG A 640 -2.514 2.144 11.095 1.00 14.11 H new ATOM 0 HB2 ARG A 640 -2.623 2.067 8.109 1.00 72.42 H new ATOM 0 HB3 ARG A 640 -3.818 1.101 8.951 1.00 72.42 H new ATOM 0 HG2 ARG A 640 -4.726 3.311 8.471 1.00 63.04 H new ATOM 0 HG3 ARG A 640 -4.572 3.098 10.204 1.00 63.04 H new ATOM 0 HD2 ARG A 640 -2.172 4.259 8.900 1.00 74.12 H new ATOM 0 HD3 ARG A 640 -3.608 5.256 8.780 1.00 74.12 H new ATOM 0 HE ARG A 640 -3.292 4.309 11.487 1.00 62.11 H new ATOM 0 HH11 ARG A 640 -1.991 6.591 9.129 1.00 13.44 H new ATOM 0 HH12 ARG A 640 -1.424 7.721 10.363 1.00 13.44 H new ATOM 0 HH21 ARG A 640 -2.562 5.766 13.068 1.00 75.44 H new ATOM 0 HH22 ARG A 640 -1.745 7.256 12.585 1.00 75.44 H new ATOM 677 N GLU A 641 -1.091 -0.426 9.650 1.00 24.30 N ATOM 678 CA GLU A 641 -0.857 -1.860 9.763 1.00 63.53 C ATOM 679 C GLU A 641 -0.475 -2.241 11.190 1.00 11.44 C ATOM 680 O GLU A 641 0.601 -1.903 11.683 1.00 5.31 O ATOM 681 CB GLU A 641 0.246 -2.298 8.796 1.00 22.10 C ATOM 682 CG GLU A 641 0.614 -3.767 8.916 1.00 53.13 C ATOM 683 CD GLU A 641 0.662 -4.468 7.572 1.00 42.11 C ATOM 684 OE1 GLU A 641 1.070 -3.825 6.582 1.00 15.30 O ATOM 685 OE2 GLU A 641 0.293 -5.659 7.510 1.00 34.25 O ATOM 0 H GLU A 641 -0.498 0.046 8.967 1.00 24.30 H new ATOM 0 HA GLU A 641 -1.784 -2.372 9.504 1.00 63.53 H new ATOM 0 HB2 GLU A 641 -0.077 -2.095 7.775 1.00 22.10 H new ATOM 0 HB3 GLU A 641 1.135 -1.694 8.975 1.00 22.10 H new ATOM 0 HG2 GLU A 641 1.585 -3.856 9.403 1.00 53.13 H new ATOM 0 HG3 GLU A 641 -0.111 -4.268 9.557 1.00 53.13 H new ATOM 797 N PRO A 649 12.194 0.032 10.110 1.00 62.12 N ATOM 798 CA PRO A 649 11.338 0.875 9.269 1.00 62.32 C ATOM 799 C PRO A 649 11.712 0.790 7.792 1.00 22.33 C ATOM 800 O PRO A 649 11.017 1.333 6.935 1.00 51.14 O ATOM 801 CB PRO A 649 11.594 2.285 9.804 1.00 35.14 C ATOM 802 CG PRO A 649 12.952 2.221 10.412 1.00 72.34 C ATOM 803 CD PRO A 649 13.094 0.828 10.961 1.00 65.21 C ATOM 0 HA PRO A 649 10.293 0.569 9.316 1.00 62.32 H new ATOM 0 HB2 PRO A 649 11.553 3.025 9.005 1.00 35.14 H new ATOM 0 HB3 PRO A 649 10.844 2.571 10.541 1.00 35.14 H new ATOM 0 HG2 PRO A 649 13.722 2.428 9.669 1.00 72.34 H new ATOM 0 HG3 PRO A 649 13.062 2.965 11.201 1.00 72.34 H new ATOM 0 HD2 PRO A 649 14.123 0.474 10.898 1.00 65.21 H new ATOM 0 HD3 PRO A 649 12.803 0.778 12.010 1.00 65.21 H new ATOM 811 N ASP A 650 12.813 0.105 7.505 1.00 61.55 N ATOM 812 CA ASP A 650 13.279 -0.052 6.132 1.00 74.23 C ATOM 813 C ASP A 650 12.603 -1.245 5.462 1.00 14.03 C ATOM 814 O ASP A 650 12.963 -1.630 4.350 1.00 51.14 O ATOM 815 CB ASP A 650 14.798 -0.228 6.102 1.00 53.44 C ATOM 816 CG ASP A 650 15.474 0.385 7.312 1.00 42.24 C ATOM 817 OD1 ASP A 650 15.145 1.539 7.655 1.00 21.33 O ATOM 818 OD2 ASP A 650 16.335 -0.290 7.916 1.00 21.11 O ATOM 0 H ASP A 650 13.400 -0.350 8.204 1.00 61.55 H new ATOM 0 HA ASP A 650 13.015 0.850 5.580 1.00 74.23 H new ATOM 0 HB2 ASP A 650 15.037 -1.290 6.055 1.00 53.44 H new ATOM 0 HB3 ASP A 650 15.196 0.229 5.196 1.00 53.44 H new ATOM 823 N GLU A 651 11.623 -1.825 6.147 1.00 31.43 N ATOM 824 CA GLU A 651 10.899 -2.976 5.619 1.00 44.14 C ATOM 825 C GLU A 651 9.434 -2.937 6.041 1.00 20.45 C ATOM 826 O GLU A 651 9.111 -2.563 7.169 1.00 0.01 O ATOM 827 CB GLU A 651 11.546 -4.277 6.098 1.00 11.03 C ATOM 828 CG GLU A 651 11.162 -5.490 5.267 1.00 43.11 C ATOM 829 CD GLU A 651 11.217 -6.781 6.060 1.00 72.00 C ATOM 830 OE1 GLU A 651 12.301 -7.109 6.586 1.00 41.42 O ATOM 831 OE2 GLU A 651 10.176 -7.465 6.155 1.00 54.23 O ATOM 0 H GLU A 651 11.312 -1.517 7.068 1.00 31.43 H new ATOM 0 HA GLU A 651 10.946 -2.935 4.531 1.00 44.14 H new ATOM 0 HB2 GLU A 651 12.630 -4.162 6.079 1.00 11.03 H new ATOM 0 HB3 GLU A 651 11.262 -4.453 7.136 1.00 11.03 H new ATOM 0 HG2 GLU A 651 10.155 -5.352 4.874 1.00 43.11 H new ATOM 0 HG3 GLU A 651 11.831 -5.565 4.410 1.00 43.11 H new ATOM 838 N ILE A 652 8.550 -3.327 5.128 1.00 2.34 N ATOM 839 CA ILE A 652 7.120 -3.338 5.406 1.00 15.30 C ATOM 840 C ILE A 652 6.440 -4.530 4.742 1.00 21.22 C ATOM 841 O ILE A 652 6.803 -4.926 3.635 1.00 21.12 O ATOM 842 CB ILE A 652 6.443 -2.041 4.923 1.00 55.30 C ATOM 843 CG1 ILE A 652 5.404 -1.571 5.944 1.00 30.32 C ATOM 844 CG2 ILE A 652 5.797 -2.255 3.563 1.00 74.42 C ATOM 845 CD1 ILE A 652 4.153 -1.001 5.314 1.00 32.33 C ATOM 0 H ILE A 652 8.800 -3.639 4.190 1.00 2.34 H new ATOM 0 HA ILE A 652 7.009 -3.416 6.488 1.00 15.30 H new ATOM 0 HB ILE A 652 7.204 -1.267 4.824 1.00 55.30 H new ATOM 0 HG12 ILE A 652 5.129 -2.410 6.583 1.00 30.32 H new ATOM 0 HG13 ILE A 652 5.854 -0.815 6.587 1.00 30.32 H new ATOM 0 HG21 ILE A 652 5.323 -1.330 3.236 1.00 74.42 H new ATOM 0 HG22 ILE A 652 6.559 -2.548 2.840 1.00 74.42 H new ATOM 0 HG23 ILE A 652 5.046 -3.041 3.637 1.00 74.42 H new ATOM 0 HD11 ILE A 652 3.462 -0.688 6.096 1.00 32.33 H new ATOM 0 HD12 ILE A 652 4.415 -0.142 4.697 1.00 32.33 H new ATOM 0 HD13 ILE A 652 3.679 -1.762 4.694 1.00 32.33 H new ATOM 857 N GLU A 653 5.450 -5.096 5.426 1.00 63.42 N ATOM 858 CA GLU A 653 4.719 -6.243 4.901 1.00 63.51 C ATOM 859 C GLU A 653 3.251 -5.895 4.673 1.00 65.44 C ATOM 860 O GLU A 653 2.450 -5.899 5.608 1.00 54.53 O ATOM 861 CB GLU A 653 4.829 -7.430 5.861 1.00 62.32 C ATOM 862 CG GLU A 653 4.854 -8.779 5.162 1.00 74.40 C ATOM 863 CD GLU A 653 3.940 -9.794 5.820 1.00 14.43 C ATOM 864 OE1 GLU A 653 3.731 -9.695 7.048 1.00 41.41 O ATOM 865 OE2 GLU A 653 3.434 -10.687 5.109 1.00 33.13 O ATOM 0 H GLU A 653 5.136 -4.779 6.343 1.00 63.42 H new ATOM 0 HA GLU A 653 5.163 -6.516 3.944 1.00 63.51 H new ATOM 0 HB2 GLU A 653 5.736 -7.322 6.456 1.00 62.32 H new ATOM 0 HB3 GLU A 653 3.988 -7.405 6.554 1.00 62.32 H new ATOM 0 HG2 GLU A 653 4.558 -8.650 4.121 1.00 74.40 H new ATOM 0 HG3 GLU A 653 5.874 -9.163 5.158 1.00 74.40 H new ATOM 872 N ILE A 654 2.907 -5.594 3.424 1.00 24.45 N ATOM 873 CA ILE A 654 1.537 -5.244 3.073 1.00 14.25 C ATOM 874 C ILE A 654 0.733 -6.483 2.691 1.00 3.21 C ATOM 875 O ILE A 654 0.953 -7.075 1.635 1.00 71.35 O ATOM 876 CB ILE A 654 1.494 -4.238 1.909 1.00 42.31 C ATOM 877 CG1 ILE A 654 2.524 -3.129 2.125 1.00 4.55 C ATOM 878 CG2 ILE A 654 0.097 -3.651 1.767 1.00 2.44 C ATOM 879 CD1 ILE A 654 2.594 -2.137 0.985 1.00 62.13 C ATOM 0 H ILE A 654 3.559 -5.586 2.639 1.00 24.45 H new ATOM 0 HA ILE A 654 1.093 -4.784 3.956 1.00 14.25 H new ATOM 0 HB ILE A 654 1.742 -4.763 0.986 1.00 42.31 H new ATOM 0 HG12 ILE A 654 2.284 -2.596 3.045 1.00 4.55 H new ATOM 0 HG13 ILE A 654 3.507 -3.579 2.264 1.00 4.55 H new ATOM 0 HG21 ILE A 654 0.083 -2.941 0.940 1.00 2.44 H new ATOM 0 HG22 ILE A 654 -0.616 -4.452 1.570 1.00 2.44 H new ATOM 0 HG23 ILE A 654 -0.178 -3.139 2.689 1.00 2.44 H new ATOM 0 HD11 ILE A 654 3.345 -1.379 1.208 1.00 62.13 H new ATOM 0 HD12 ILE A 654 2.864 -2.657 0.066 1.00 62.13 H new ATOM 0 HD13 ILE A 654 1.623 -1.659 0.859 1.00 62.13 H new ATOM 891 N ASP A 655 -0.198 -6.867 3.557 1.00 34.23 N ATOM 892 CA ASP A 655 -1.037 -8.034 3.309 1.00 40.00 C ATOM 893 C ASP A 655 -2.501 -7.630 3.169 1.00 15.12 C ATOM 894 O ASP A 655 -3.244 -7.601 4.151 1.00 55.22 O ATOM 895 CB ASP A 655 -0.881 -9.050 4.441 1.00 70.00 C ATOM 896 CG ASP A 655 0.512 -9.644 4.499 1.00 3.20 C ATOM 897 OD1 ASP A 655 1.443 -9.031 3.934 1.00 51.15 O ATOM 898 OD2 ASP A 655 0.674 -10.720 5.110 1.00 3.33 O ATOM 0 H ASP A 655 -0.391 -6.388 4.436 1.00 34.23 H new ATOM 0 HA ASP A 655 -0.714 -8.492 2.374 1.00 40.00 H new ATOM 0 HB2 ASP A 655 -1.107 -8.567 5.392 1.00 70.00 H new ATOM 0 HB3 ASP A 655 -1.609 -9.851 4.309 1.00 70.00 H new ATOM 903 N PHE A 656 -2.910 -7.319 1.944 1.00 74.20 N ATOM 904 CA PHE A 656 -4.285 -6.914 1.675 1.00 32.44 C ATOM 905 C PHE A 656 -5.271 -7.918 2.266 1.00 15.23 C ATOM 906 O PHE A 656 -6.398 -7.564 2.614 1.00 42.41 O ATOM 907 CB PHE A 656 -4.516 -6.783 0.169 1.00 64.43 C ATOM 908 CG PHE A 656 -4.106 -5.449 -0.386 1.00 13.23 C ATOM 909 CD1 PHE A 656 -3.113 -4.704 0.228 1.00 43.32 C ATOM 910 CD2 PHE A 656 -4.716 -4.939 -1.521 1.00 43.33 C ATOM 911 CE1 PHE A 656 -2.734 -3.475 -0.280 1.00 43.12 C ATOM 912 CE2 PHE A 656 -4.341 -3.712 -2.034 1.00 2.21 C ATOM 913 CZ PHE A 656 -3.349 -2.978 -1.411 1.00 74.55 C ATOM 0 H PHE A 656 -2.308 -7.340 1.121 1.00 74.20 H new ATOM 0 HA PHE A 656 -4.451 -5.945 2.146 1.00 32.44 H new ATOM 0 HB2 PHE A 656 -3.961 -7.568 -0.345 1.00 64.43 H new ATOM 0 HB3 PHE A 656 -5.572 -6.947 -0.044 1.00 64.43 H new ATOM 0 HD1 PHE A 656 -2.629 -5.087 1.114 1.00 43.32 H new ATOM 0 HD2 PHE A 656 -5.493 -5.507 -2.010 1.00 43.33 H new ATOM 0 HE1 PHE A 656 -1.957 -2.905 0.208 1.00 43.12 H new ATOM 0 HE2 PHE A 656 -4.822 -3.327 -2.921 1.00 2.21 H new ATOM 0 HZ PHE A 656 -3.056 -2.018 -1.809 1.00 74.55 H new ATOM 923 N GLU A 657 -4.840 -9.170 2.376 1.00 62.23 N ATOM 924 CA GLU A 657 -5.686 -10.224 2.924 1.00 63.03 C ATOM 925 C GLU A 657 -6.154 -9.869 4.332 1.00 63.04 C ATOM 926 O GLU A 657 -7.247 -10.253 4.751 1.00 42.22 O ATOM 927 CB GLU A 657 -4.930 -11.555 2.946 1.00 42.45 C ATOM 928 CG GLU A 657 -5.837 -12.767 3.076 1.00 3.12 C ATOM 929 CD GLU A 657 -5.736 -13.427 4.438 1.00 53.33 C ATOM 930 OE1 GLU A 657 -4.627 -13.865 4.805 1.00 60.11 O ATOM 931 OE2 GLU A 657 -6.769 -13.503 5.137 1.00 4.22 O ATOM 0 H GLU A 657 -3.910 -9.480 2.093 1.00 62.23 H new ATOM 0 HA GLU A 657 -6.562 -10.322 2.283 1.00 63.03 H new ATOM 0 HB2 GLU A 657 -4.345 -11.646 2.031 1.00 42.45 H new ATOM 0 HB3 GLU A 657 -4.224 -11.549 3.777 1.00 42.45 H new ATOM 0 HG2 GLU A 657 -6.869 -12.465 2.898 1.00 3.12 H new ATOM 0 HG3 GLU A 657 -5.580 -13.493 2.305 1.00 3.12 H new ATOM 938 N THR A 658 -5.318 -9.135 5.060 1.00 40.12 N ATOM 939 CA THR A 658 -5.644 -8.729 6.421 1.00 21.13 C ATOM 940 C THR A 658 -5.798 -7.217 6.522 1.00 1.44 C ATOM 941 O THR A 658 -6.427 -6.706 7.450 1.00 1.12 O ATOM 942 CB THR A 658 -4.566 -9.193 7.419 1.00 53.44 C ATOM 943 OG1 THR A 658 -4.871 -8.706 8.731 1.00 62.32 O ATOM 944 CG2 THR A 658 -3.190 -8.699 6.996 1.00 12.35 C ATOM 0 H THR A 658 -4.410 -8.810 4.729 1.00 40.12 H new ATOM 0 HA THR A 658 -6.591 -9.205 6.674 1.00 21.13 H new ATOM 0 HB THR A 658 -4.556 -10.283 7.430 1.00 53.44 H new ATOM 0 HG1 THR A 658 -4.182 -9.006 9.360 1.00 62.32 H new ATOM 0 HG21 THR A 658 -2.445 -9.038 7.715 1.00 12.35 H new ATOM 0 HG22 THR A 658 -2.949 -9.095 6.009 1.00 12.35 H new ATOM 0 HG23 THR A 658 -3.190 -7.610 6.960 1.00 12.35 H new ATOM 952 N LEU A 659 -5.221 -6.502 5.563 1.00 64.44 N ATOM 953 CA LEU A 659 -5.294 -5.045 5.543 1.00 31.14 C ATOM 954 C LEU A 659 -6.743 -4.573 5.581 1.00 34.10 C ATOM 955 O LEU A 659 -7.631 -5.210 5.013 1.00 60.14 O ATOM 956 CB LEU A 659 -4.598 -4.497 4.296 1.00 70.13 C ATOM 957 CG LEU A 659 -3.727 -3.257 4.504 1.00 72.43 C ATOM 958 CD1 LEU A 659 -2.676 -3.518 5.572 1.00 13.33 C ATOM 959 CD2 LEU A 659 -3.068 -2.843 3.196 1.00 55.21 C ATOM 0 H LEU A 659 -4.697 -6.908 4.788 1.00 64.44 H new ATOM 0 HA LEU A 659 -4.785 -4.667 6.430 1.00 31.14 H new ATOM 0 HB2 LEU A 659 -3.976 -5.287 3.875 1.00 70.13 H new ATOM 0 HB3 LEU A 659 -5.360 -4.261 3.553 1.00 70.13 H new ATOM 0 HG LEU A 659 -4.365 -2.440 4.841 1.00 72.43 H new ATOM 0 HD11 LEU A 659 -2.065 -2.625 5.707 1.00 13.33 H new ATOM 0 HD12 LEU A 659 -3.167 -3.767 6.513 1.00 13.33 H new ATOM 0 HD13 LEU A 659 -2.041 -4.348 5.263 1.00 13.33 H new ATOM 0 HD21 LEU A 659 -2.452 -1.959 3.363 1.00 55.21 H new ATOM 0 HD22 LEU A 659 -2.443 -3.657 2.830 1.00 55.21 H new ATOM 0 HD23 LEU A 659 -3.837 -2.616 2.457 1.00 55.21 H new ATOM 971 N LYS A 660 -6.977 -3.450 6.252 1.00 54.13 N ATOM 972 CA LYS A 660 -8.318 -2.888 6.361 1.00 20.31 C ATOM 973 C LYS A 660 -8.611 -1.948 5.196 1.00 24.12 C ATOM 974 O LYS A 660 -7.709 -1.487 4.497 1.00 65.12 O ATOM 975 CB LYS A 660 -8.473 -2.139 7.687 1.00 74.41 C ATOM 976 CG LYS A 660 -9.043 -2.994 8.805 1.00 1.13 C ATOM 977 CD LYS A 660 -7.999 -3.945 9.368 1.00 42.22 C ATOM 978 CE LYS A 660 -8.561 -5.347 9.543 1.00 21.33 C ATOM 979 NZ LYS A 660 -7.954 -6.045 10.711 1.00 0.34 N ATOM 0 H LYS A 660 -6.254 -2.911 6.729 1.00 54.13 H new ATOM 0 HA LYS A 660 -9.033 -3.710 6.329 1.00 20.31 H new ATOM 0 HB2 LYS A 660 -7.500 -1.756 7.994 1.00 74.41 H new ATOM 0 HB3 LYS A 660 -9.122 -1.276 7.534 1.00 74.41 H new ATOM 0 HG2 LYS A 660 -9.418 -2.351 9.601 1.00 1.13 H new ATOM 0 HG3 LYS A 660 -9.892 -3.565 8.430 1.00 1.13 H new ATOM 0 HD2 LYS A 660 -7.137 -3.978 8.701 1.00 42.22 H new ATOM 0 HD3 LYS A 660 -7.645 -3.571 10.329 1.00 42.22 H new ATOM 0 HE2 LYS A 660 -9.642 -5.292 9.674 1.00 21.33 H new ATOM 0 HE3 LYS A 660 -8.379 -5.927 8.638 1.00 21.33 H new ATOM 0 HZ1 LYS A 660 -8.363 -6.997 10.797 1.00 0.34 H new ATOM 0 HZ2 LYS A 660 -6.926 -6.121 10.574 1.00 0.34 H new ATOM 0 HZ3 LYS A 660 -8.149 -5.505 11.578 1.00 0.34 H new ATOM 993 N PRO A 661 -9.903 -1.655 4.982 1.00 44.32 N ATOM 994 CA PRO A 661 -10.343 -0.765 3.903 1.00 71.41 C ATOM 995 C PRO A 661 -9.953 0.687 4.154 1.00 34.02 C ATOM 996 O PRO A 661 -9.643 1.427 3.220 1.00 62.11 O ATOM 997 CB PRO A 661 -11.866 -0.921 3.916 1.00 13.22 C ATOM 998 CG PRO A 661 -12.193 -1.336 5.309 1.00 60.15 C ATOM 999 CD PRO A 661 -11.031 -2.169 5.776 1.00 54.21 C ATOM 0 HA PRO A 661 -9.882 -1.021 2.949 1.00 71.41 H new ATOM 0 HB2 PRO A 661 -12.362 0.014 3.655 1.00 13.22 H new ATOM 0 HB3 PRO A 661 -12.194 -1.668 3.193 1.00 13.22 H new ATOM 0 HG2 PRO A 661 -12.334 -0.467 5.952 1.00 60.15 H new ATOM 0 HG3 PRO A 661 -13.120 -1.908 5.338 1.00 60.15 H new ATOM 0 HD2 PRO A 661 -10.856 -2.052 6.845 1.00 54.21 H new ATOM 0 HD3 PRO A 661 -11.199 -3.231 5.595 1.00 54.21 H new ATOM 1007 N SER A 662 -9.971 1.089 5.420 1.00 2.45 N ATOM 1008 CA SER A 662 -9.622 2.456 5.794 1.00 31.22 C ATOM 1009 C SER A 662 -8.235 2.823 5.275 1.00 55.23 C ATOM 1010 O SER A 662 -8.026 3.915 4.746 1.00 13.33 O ATOM 1011 CB SER A 662 -9.671 2.619 7.314 1.00 42.13 C ATOM 1012 OG SER A 662 -8.754 3.609 7.750 1.00 71.32 O ATOM 0 H SER A 662 -10.223 0.488 6.205 1.00 2.45 H new ATOM 0 HA SER A 662 -10.350 3.129 5.341 1.00 31.22 H new ATOM 0 HB2 SER A 662 -10.680 2.893 7.621 1.00 42.13 H new ATOM 0 HB3 SER A 662 -9.439 1.668 7.793 1.00 42.13 H new ATOM 0 HG SER A 662 -8.805 3.696 8.725 1.00 71.32 H new ATOM 1018 N THR A 663 -7.289 1.902 5.430 1.00 2.54 N ATOM 1019 CA THR A 663 -5.922 2.129 4.979 1.00 32.12 C ATOM 1020 C THR A 663 -5.801 1.938 3.471 1.00 34.12 C ATOM 1021 O THR A 663 -5.072 2.668 2.800 1.00 63.41 O ATOM 1022 CB THR A 663 -4.933 1.182 5.686 1.00 73.43 C ATOM 1023 OG1 THR A 663 -5.216 1.137 7.089 1.00 54.14 O ATOM 1024 CG2 THR A 663 -3.498 1.635 5.466 1.00 0.01 C ATOM 0 H THR A 663 -7.445 0.992 5.864 1.00 2.54 H new ATOM 0 HA THR A 663 -5.672 3.159 5.233 1.00 32.12 H new ATOM 0 HB THR A 663 -5.051 0.186 5.260 1.00 73.43 H new ATOM 0 HG1 THR A 663 -5.042 0.234 7.429 1.00 54.14 H new ATOM 0 HG21 THR A 663 -2.819 0.951 5.975 1.00 0.01 H new ATOM 0 HG22 THR A 663 -3.277 1.639 4.399 1.00 0.01 H new ATOM 0 HG23 THR A 663 -3.368 2.640 5.867 1.00 0.01 H new ATOM 1032 N LEU A 664 -6.521 0.953 2.945 1.00 13.20 N ATOM 1033 CA LEU A 664 -6.496 0.666 1.515 1.00 3.11 C ATOM 1034 C LEU A 664 -6.805 1.921 0.703 1.00 22.32 C ATOM 1035 O LEU A 664 -5.987 2.367 -0.102 1.00 21.24 O ATOM 1036 CB LEU A 664 -7.503 -0.434 1.177 1.00 1.03 C ATOM 1037 CG LEU A 664 -6.911 -1.796 0.812 1.00 44.20 C ATOM 1038 CD1 LEU A 664 -5.842 -2.201 1.815 1.00 15.03 C ATOM 1039 CD2 LEU A 664 -8.006 -2.852 0.740 1.00 43.44 C ATOM 0 H LEU A 664 -7.129 0.340 3.487 1.00 13.20 H new ATOM 0 HA LEU A 664 -5.494 0.324 1.256 1.00 3.11 H new ATOM 0 HB2 LEU A 664 -8.167 -0.566 2.031 1.00 1.03 H new ATOM 0 HB3 LEU A 664 -8.118 -0.093 0.344 1.00 1.03 H new ATOM 0 HG LEU A 664 -6.446 -1.716 -0.170 1.00 44.20 H new ATOM 0 HD11 LEU A 664 -5.433 -3.173 1.538 1.00 15.03 H new ATOM 0 HD12 LEU A 664 -5.044 -1.458 1.816 1.00 15.03 H new ATOM 0 HD13 LEU A 664 -6.282 -2.263 2.810 1.00 15.03 H new ATOM 0 HD21 LEU A 664 -7.566 -3.815 0.479 1.00 43.44 H new ATOM 0 HD22 LEU A 664 -8.501 -2.929 1.708 1.00 43.44 H new ATOM 0 HD23 LEU A 664 -8.735 -2.569 -0.019 1.00 43.44 H new ATOM 1051 N ARG A 665 -7.988 2.483 0.921 1.00 40.52 N ATOM 1052 CA ARG A 665 -8.404 3.687 0.210 1.00 62.14 C ATOM 1053 C ARG A 665 -7.467 4.852 0.518 1.00 61.44 C ATOM 1054 O ARG A 665 -7.207 5.693 -0.341 1.00 44.50 O ATOM 1055 CB ARG A 665 -9.838 4.058 0.589 1.00 11.45 C ATOM 1056 CG ARG A 665 -10.343 5.318 -0.096 1.00 1.51 C ATOM 1057 CD ARG A 665 -11.709 5.729 0.430 1.00 50.41 C ATOM 1058 NE ARG A 665 -12.345 6.729 -0.424 1.00 13.12 N ATOM 1059 CZ ARG A 665 -13.482 7.343 -0.115 1.00 31.20 C ATOM 1060 NH1 ARG A 665 -14.104 7.061 1.022 1.00 71.22 N ATOM 1061 NH2 ARG A 665 -14.000 8.241 -0.943 1.00 4.32 N ATOM 0 H ARG A 665 -8.676 2.125 1.584 1.00 40.52 H new ATOM 0 HA ARG A 665 -8.360 3.481 -0.859 1.00 62.14 H new ATOM 0 HB2 ARG A 665 -10.498 3.228 0.336 1.00 11.45 H new ATOM 0 HB3 ARG A 665 -9.896 4.194 1.669 1.00 11.45 H new ATOM 0 HG2 ARG A 665 -9.632 6.129 0.062 1.00 1.51 H new ATOM 0 HG3 ARG A 665 -10.401 5.150 -1.171 1.00 1.51 H new ATOM 0 HD2 ARG A 665 -12.350 4.850 0.499 1.00 50.41 H new ATOM 0 HD3 ARG A 665 -11.604 6.128 1.439 1.00 50.41 H new ATOM 0 HE ARG A 665 -11.892 6.969 -1.306 1.00 13.12 H new ATOM 0 HH11 ARG A 665 -13.710 6.371 1.662 1.00 71.22 H new ATOM 0 HH12 ARG A 665 -14.977 7.534 1.257 1.00 71.22 H new ATOM 0 HH21 ARG A 665 -13.525 8.461 -1.819 1.00 4.32 H new ATOM 0 HH22 ARG A 665 -14.873 8.711 -0.704 1.00 4.32 H new ATOM 1075 N GLU A 666 -6.965 4.892 1.748 1.00 64.40 N ATOM 1076 CA GLU A 666 -6.059 5.954 2.168 1.00 65.54 C ATOM 1077 C GLU A 666 -4.930 6.137 1.157 1.00 54.44 C ATOM 1078 O GLU A 666 -4.509 7.261 0.876 1.00 32.12 O ATOM 1079 CB GLU A 666 -5.476 5.640 3.548 1.00 42.42 C ATOM 1080 CG GLU A 666 -5.663 6.762 4.556 1.00 31.53 C ATOM 1081 CD GLU A 666 -5.169 8.099 4.041 1.00 25.41 C ATOM 1082 OE1 GLU A 666 -5.960 8.813 3.390 1.00 3.31 O ATOM 1083 OE2 GLU A 666 -3.990 8.431 4.289 1.00 75.24 O ATOM 0 H GLU A 666 -7.170 4.202 2.470 1.00 64.40 H new ATOM 0 HA GLU A 666 -6.628 6.882 2.224 1.00 65.54 H new ATOM 0 HB2 GLU A 666 -5.944 4.734 3.934 1.00 42.42 H new ATOM 0 HB3 GLU A 666 -4.412 5.429 3.444 1.00 42.42 H new ATOM 0 HG2 GLU A 666 -6.720 6.843 4.811 1.00 31.53 H new ATOM 0 HG3 GLU A 666 -5.132 6.512 5.474 1.00 31.53 H new ATOM 1090 N LEU A 667 -4.445 5.027 0.612 1.00 2.13 N ATOM 1091 CA LEU A 667 -3.364 5.065 -0.368 1.00 34.03 C ATOM 1092 C LEU A 667 -3.868 5.574 -1.714 1.00 55.03 C ATOM 1093 O LEU A 667 -3.254 6.446 -2.328 1.00 31.23 O ATOM 1094 CB LEU A 667 -2.751 3.673 -0.532 1.00 74.13 C ATOM 1095 CG LEU A 667 -2.780 2.776 0.705 1.00 14.35 C ATOM 1096 CD1 LEU A 667 -2.044 1.472 0.437 1.00 51.20 C ATOM 1097 CD2 LEU A 667 -2.173 3.496 1.900 1.00 14.24 C ATOM 0 H LEU A 667 -4.783 4.090 0.832 1.00 2.13 H new ATOM 0 HA LEU A 667 -2.599 5.752 -0.005 1.00 34.03 H new ATOM 0 HB2 LEU A 667 -3.274 3.161 -1.340 1.00 74.13 H new ATOM 0 HB3 LEU A 667 -1.714 3.790 -0.847 1.00 74.13 H new ATOM 0 HG LEU A 667 -3.819 2.542 0.936 1.00 14.35 H new ATOM 0 HD11 LEU A 667 -2.075 0.847 1.329 1.00 51.20 H new ATOM 0 HD12 LEU A 667 -2.522 0.948 -0.391 1.00 51.20 H new ATOM 0 HD13 LEU A 667 -1.007 1.686 0.180 1.00 51.20 H new ATOM 0 HD21 LEU A 667 -2.202 2.842 2.772 1.00 14.24 H new ATOM 0 HD22 LEU A 667 -1.139 3.760 1.679 1.00 14.24 H new ATOM 0 HD23 LEU A 667 -2.743 4.402 2.107 1.00 14.24 H new ATOM 1109 N GLU A 668 -4.991 5.024 -2.166 1.00 55.21 N ATOM 1110 CA GLU A 668 -5.579 5.425 -3.439 1.00 61.23 C ATOM 1111 C GLU A 668 -5.761 6.938 -3.503 1.00 34.04 C ATOM 1112 O GLU A 668 -5.715 7.535 -4.579 1.00 3.34 O ATOM 1113 CB GLU A 668 -6.925 4.728 -3.647 1.00 51.12 C ATOM 1114 CG GLU A 668 -7.344 4.636 -5.104 1.00 51.44 C ATOM 1115 CD GLU A 668 -8.126 5.852 -5.565 1.00 31.43 C ATOM 1116 OE1 GLU A 668 -8.367 6.752 -4.732 1.00 71.40 O ATOM 1117 OE2 GLU A 668 -8.497 5.903 -6.756 1.00 21.23 O ATOM 0 H GLU A 668 -5.511 4.300 -1.670 1.00 55.21 H new ATOM 0 HA GLU A 668 -4.897 5.126 -4.235 1.00 61.23 H new ATOM 0 HB2 GLU A 668 -6.873 3.723 -3.229 1.00 51.12 H new ATOM 0 HB3 GLU A 668 -7.693 5.265 -3.090 1.00 51.12 H new ATOM 0 HG2 GLU A 668 -6.457 4.522 -5.727 1.00 51.44 H new ATOM 0 HG3 GLU A 668 -7.951 3.742 -5.248 1.00 51.44 H new ATOM 1124 N ARG A 669 -5.970 7.552 -2.343 1.00 13.34 N ATOM 1125 CA ARG A 669 -6.162 8.995 -2.265 1.00 64.20 C ATOM 1126 C ARG A 669 -4.836 9.730 -2.441 1.00 3.11 C ATOM 1127 O ARG A 669 -4.782 10.795 -3.055 1.00 43.43 O ATOM 1128 CB ARG A 669 -6.794 9.376 -0.925 1.00 23.21 C ATOM 1129 CG ARG A 669 -8.034 10.244 -1.063 1.00 35.34 C ATOM 1130 CD ARG A 669 -8.079 11.325 0.006 1.00 73.31 C ATOM 1131 NE ARG A 669 -8.857 12.485 -0.422 1.00 32.24 N ATOM 1132 CZ ARG A 669 -8.770 13.680 0.151 1.00 32.23 C ATOM 1133 NH1 ARG A 669 -7.944 13.872 1.171 1.00 60.41 N ATOM 1134 NH2 ARG A 669 -9.511 14.686 -0.294 1.00 51.10 N ATOM 0 H ARG A 669 -6.011 7.072 -1.444 1.00 13.34 H new ATOM 0 HA ARG A 669 -6.832 9.291 -3.072 1.00 64.20 H new ATOM 0 HB2 ARG A 669 -7.056 8.466 -0.384 1.00 23.21 H new ATOM 0 HB3 ARG A 669 -6.056 9.904 -0.322 1.00 23.21 H new ATOM 0 HG2 ARG A 669 -8.048 10.706 -2.050 1.00 35.34 H new ATOM 0 HG3 ARG A 669 -8.926 9.621 -0.990 1.00 35.34 H new ATOM 0 HD2 ARG A 669 -8.512 10.915 0.919 1.00 73.31 H new ATOM 0 HD3 ARG A 669 -7.063 11.639 0.248 1.00 73.31 H new ATOM 0 HE ARG A 669 -9.502 12.371 -1.204 1.00 32.24 H new ATOM 0 HH11 ARG A 669 -7.373 13.101 1.517 1.00 60.41 H new ATOM 0 HH12 ARG A 669 -7.879 14.791 1.609 1.00 60.41 H new ATOM 0 HH21 ARG A 669 -10.149 14.542 -1.077 1.00 51.10 H new ATOM 0 HH22 ARG A 669 -9.443 15.603 0.147 1.00 51.10 H new ATOM 1148 N TYR A 670 -3.769 9.153 -1.899 1.00 32.30 N ATOM 1149 CA TYR A 670 -2.444 9.755 -1.993 1.00 60.33 C ATOM 1150 C TYR A 670 -1.850 9.547 -3.383 1.00 10.22 C ATOM 1151 O TYR A 670 -1.291 10.470 -3.975 1.00 41.02 O ATOM 1152 CB TYR A 670 -1.514 9.158 -0.934 1.00 53.45 C ATOM 1153 CG TYR A 670 -1.199 10.109 0.198 1.00 34.42 C ATOM 1154 CD1 TYR A 670 -2.068 10.252 1.274 1.00 42.54 C ATOM 1155 CD2 TYR A 670 -0.032 10.862 0.195 1.00 25.12 C ATOM 1156 CE1 TYR A 670 -1.784 11.120 2.310 1.00 21.32 C ATOM 1157 CE2 TYR A 670 0.261 11.731 1.228 1.00 2.41 C ATOM 1158 CZ TYR A 670 -0.619 11.857 2.283 1.00 61.20 C ATOM 1159 OH TYR A 670 -0.332 12.721 3.315 1.00 31.33 O ATOM 0 H TYR A 670 -3.796 8.269 -1.390 1.00 32.30 H new ATOM 0 HA TYR A 670 -2.545 10.826 -1.817 1.00 60.33 H new ATOM 0 HB2 TYR A 670 -1.973 8.258 -0.525 1.00 53.45 H new ATOM 0 HB3 TYR A 670 -0.583 8.852 -1.411 1.00 53.45 H new ATOM 0 HD1 TYR A 670 -2.980 9.675 1.300 1.00 42.54 H new ATOM 0 HD2 TYR A 670 0.659 10.766 -0.630 1.00 25.12 H new ATOM 0 HE1 TYR A 670 -2.471 11.221 3.137 1.00 21.32 H new ATOM 0 HE2 TYR A 670 1.174 12.308 1.210 1.00 2.41 H new ATOM 0 HH TYR A 670 0.526 13.162 3.143 1.00 31.33 H new ATOM 1169 N VAL A 671 -1.976 8.329 -3.898 1.00 63.32 N ATOM 1170 CA VAL A 671 -1.454 7.998 -5.219 1.00 2.33 C ATOM 1171 C VAL A 671 -2.099 8.863 -6.296 1.00 42.42 C ATOM 1172 O VAL A 671 -1.467 9.201 -7.298 1.00 2.12 O ATOM 1173 CB VAL A 671 -1.686 6.515 -5.559 1.00 61.44 C ATOM 1174 CG1 VAL A 671 -3.164 6.247 -5.801 1.00 23.45 C ATOM 1175 CG2 VAL A 671 -0.857 6.111 -6.770 1.00 30.44 C ATOM 0 H VAL A 671 -2.436 7.554 -3.420 1.00 63.32 H new ATOM 0 HA VAL A 671 -0.382 8.193 -5.194 1.00 2.33 H new ATOM 0 HB VAL A 671 -1.367 5.911 -4.710 1.00 61.44 H new ATOM 0 HG11 VAL A 671 -3.308 5.193 -6.040 1.00 23.45 H new ATOM 0 HG12 VAL A 671 -3.731 6.497 -4.904 1.00 23.45 H new ATOM 0 HG13 VAL A 671 -3.513 6.859 -6.633 1.00 23.45 H new ATOM 0 HG21 VAL A 671 -1.033 5.059 -6.997 1.00 30.44 H new ATOM 0 HG22 VAL A 671 -1.144 6.720 -7.627 1.00 30.44 H new ATOM 0 HG23 VAL A 671 0.200 6.264 -6.554 1.00 30.44 H new ATOM 1185 N THR A 672 -3.362 9.218 -6.084 1.00 41.43 N ATOM 1186 CA THR A 672 -4.094 10.044 -7.037 1.00 72.23 C ATOM 1187 C THR A 672 -3.659 11.502 -6.950 1.00 1.43 C ATOM 1188 O THR A 672 -3.639 12.215 -7.953 1.00 15.55 O ATOM 1189 CB THR A 672 -5.614 9.958 -6.803 1.00 41.41 C ATOM 1190 OG1 THR A 672 -6.052 8.600 -6.922 1.00 73.30 O ATOM 1191 CG2 THR A 672 -6.365 10.828 -7.800 1.00 14.35 C ATOM 0 H THR A 672 -3.900 8.947 -5.261 1.00 41.43 H new ATOM 0 HA THR A 672 -3.864 9.659 -8.030 1.00 72.23 H new ATOM 0 HB THR A 672 -5.826 10.320 -5.797 1.00 41.41 H new ATOM 0 HG1 THR A 672 -6.005 8.163 -6.046 1.00 73.30 H new ATOM 0 HG21 THR A 672 -7.436 10.751 -7.615 1.00 14.35 H new ATOM 0 HG22 THR A 672 -6.051 11.866 -7.687 1.00 14.35 H new ATOM 0 HG23 THR A 672 -6.147 10.491 -8.813 1.00 14.35 H new ATOM 1199 N SER A 673 -3.311 11.940 -5.744 1.00 63.41 N ATOM 1200 CA SER A 673 -2.879 13.315 -5.525 1.00 44.10 C ATOM 1201 C SER A 673 -1.503 13.556 -6.140 1.00 1.45 C ATOM 1202 O SER A 673 -1.222 14.640 -6.653 1.00 23.12 O ATOM 1203 CB SER A 673 -2.843 13.629 -4.029 1.00 32.21 C ATOM 1204 OG SER A 673 -3.283 14.952 -3.775 1.00 43.40 O ATOM 0 H SER A 673 -3.320 11.362 -4.904 1.00 63.41 H new ATOM 0 HA SER A 673 -3.596 13.977 -6.010 1.00 44.10 H new ATOM 0 HB2 SER A 673 -3.475 12.923 -3.491 1.00 32.21 H new ATOM 0 HB3 SER A 673 -1.828 13.501 -3.652 1.00 32.21 H new ATOM 0 HG SER A 673 -3.252 15.128 -2.811 1.00 43.40 H new ATOM 1309 N THR B 389 16.669 3.964 -4.086 1.00 24.34 N ATOM 1310 CA THR B 389 15.270 4.258 -3.801 1.00 23.41 C ATOM 1311 C THR B 389 14.577 3.061 -3.159 1.00 5.14 C ATOM 1312 O THR B 389 15.212 2.046 -2.870 1.00 24.44 O ATOM 1313 CB THR B 389 14.508 4.652 -5.080 1.00 12.15 C ATOM 1314 OG1 THR B 389 15.365 4.525 -6.220 1.00 0.50 O ATOM 1315 CG2 THR B 389 13.991 6.080 -4.982 1.00 70.33 C ATOM 0 HA THR B 389 15.258 5.098 -3.106 1.00 23.41 H new ATOM 0 HB THR B 389 13.656 3.981 -5.192 1.00 12.15 H new ATOM 0 HG1 THR B 389 16.289 4.395 -5.922 1.00 0.50 H new ATOM 0 HG21 THR B 389 13.456 6.337 -5.896 1.00 70.33 H new ATOM 0 HG22 THR B 389 13.316 6.165 -4.131 1.00 70.33 H new ATOM 0 HG23 THR B 389 14.830 6.763 -4.849 1.00 70.33 H new ATOM 1323 N TRP B 390 13.274 3.187 -2.939 1.00 32.15 N ATOM 1324 CA TRP B 390 12.495 2.114 -2.330 1.00 12.41 C ATOM 1325 C TRP B 390 12.223 1.001 -3.336 1.00 40.42 C ATOM 1326 O TRP B 390 12.164 1.243 -4.542 1.00 3.24 O ATOM 1327 CB TRP B 390 11.174 2.660 -1.785 1.00 42.32 C ATOM 1328 CG TRP B 390 11.246 3.056 -0.341 1.00 55.24 C ATOM 1329 CD1 TRP B 390 11.910 4.129 0.182 1.00 42.11 C ATOM 1330 CD2 TRP B 390 10.632 2.383 0.762 1.00 22.04 C ATOM 1331 NE1 TRP B 390 11.745 4.163 1.546 1.00 64.50 N ATOM 1332 CE2 TRP B 390 10.965 3.103 1.926 1.00 4.44 C ATOM 1333 CE3 TRP B 390 9.832 1.244 0.882 1.00 63.10 C ATOM 1334 CZ2 TRP B 390 10.527 2.718 3.190 1.00 21.25 C ATOM 1335 CZ3 TRP B 390 9.398 0.862 2.137 1.00 3.33 C ATOM 1336 CH2 TRP B 390 9.745 1.598 3.278 1.00 41.32 C ATOM 0 H TRP B 390 12.734 4.020 -3.173 1.00 32.15 H new ATOM 0 HA TRP B 390 13.076 1.700 -1.506 1.00 12.41 H new ATOM 0 HB2 TRP B 390 10.875 3.525 -2.377 1.00 42.32 H new ATOM 0 HB3 TRP B 390 10.398 1.905 -1.909 1.00 42.32 H new ATOM 0 HD1 TRP B 390 12.480 4.845 -0.391 1.00 42.11 H new ATOM 0 HE1 TRP B 390 12.139 4.864 2.174 1.00 64.50 H new ATOM 0 HE3 TRP B 390 9.557 0.672 0.008 1.00 63.10 H new ATOM 0 HZ2 TRP B 390 10.795 3.283 4.070 1.00 21.25 H new ATOM 0 HZ3 TRP B 390 8.781 -0.018 2.240 1.00 3.33 H new ATOM 0 HH2 TRP B 390 9.389 1.275 4.245 1.00 41.32 H new ATOM 1347 N ARG B 391 12.056 -0.218 -2.833 1.00 63.12 N ATOM 1348 CA ARG B 391 11.792 -1.368 -3.690 1.00 12.10 C ATOM 1349 C ARG B 391 10.505 -2.073 -3.269 1.00 21.44 C ATOM 1350 O ARG B 391 9.960 -1.807 -2.197 1.00 42.53 O ATOM 1351 CB ARG B 391 12.964 -2.349 -3.639 1.00 61.53 C ATOM 1352 CG ARG B 391 13.096 -3.073 -2.310 1.00 4.20 C ATOM 1353 CD ARG B 391 14.455 -3.741 -2.172 1.00 72.21 C ATOM 1354 NE ARG B 391 14.346 -5.196 -2.115 1.00 52.24 N ATOM 1355 CZ ARG B 391 14.213 -5.965 -3.190 1.00 33.52 C ATOM 1356 NH1 ARG B 391 14.173 -5.422 -4.398 1.00 3.24 N ATOM 1357 NH2 ARG B 391 14.119 -7.283 -3.056 1.00 62.02 N ATOM 0 H ARG B 391 12.099 -0.435 -1.837 1.00 63.12 H new ATOM 0 HA ARG B 391 11.673 -1.009 -4.712 1.00 12.10 H new ATOM 0 HB2 ARG B 391 12.845 -3.085 -4.434 1.00 61.53 H new ATOM 0 HB3 ARG B 391 13.888 -1.808 -3.842 1.00 61.53 H new ATOM 0 HG2 ARG B 391 12.953 -2.366 -1.493 1.00 4.20 H new ATOM 0 HG3 ARG B 391 12.310 -3.823 -2.224 1.00 4.20 H new ATOM 0 HD2 ARG B 391 15.086 -3.457 -3.015 1.00 72.21 H new ATOM 0 HD3 ARG B 391 14.947 -3.379 -1.269 1.00 72.21 H new ATOM 0 HE ARG B 391 14.373 -5.646 -1.200 1.00 52.24 H new ATOM 0 HH11 ARG B 391 14.244 -4.410 -4.505 1.00 3.24 H new ATOM 0 HH12 ARG B 391 14.071 -6.016 -5.221 1.00 3.24 H new ATOM 0 HH21 ARG B 391 14.149 -7.705 -2.128 1.00 62.02 H new ATOM 0 HH22 ARG B 391 14.017 -7.874 -3.881 1.00 62.02 H new ATOM 1371 N VAL B 392 10.025 -2.974 -4.120 1.00 60.34 N ATOM 1372 CA VAL B 392 8.804 -3.719 -3.837 1.00 3.14 C ATOM 1373 C VAL B 392 8.830 -5.090 -4.501 1.00 70.50 C ATOM 1374 O VAL B 392 9.390 -5.255 -5.585 1.00 54.31 O ATOM 1375 CB VAL B 392 7.556 -2.953 -4.315 1.00 52.50 C ATOM 1376 CG1 VAL B 392 6.299 -3.773 -4.070 1.00 64.22 C ATOM 1377 CG2 VAL B 392 7.463 -1.601 -3.622 1.00 60.13 C ATOM 0 H VAL B 392 10.463 -3.206 -5.011 1.00 60.34 H new ATOM 0 HA VAL B 392 8.753 -3.844 -2.755 1.00 3.14 H new ATOM 0 HB VAL B 392 7.646 -2.781 -5.388 1.00 52.50 H new ATOM 0 HG11 VAL B 392 5.428 -3.215 -4.414 1.00 64.22 H new ATOM 0 HG12 VAL B 392 6.366 -4.714 -4.616 1.00 64.22 H new ATOM 0 HG13 VAL B 392 6.200 -3.978 -3.004 1.00 64.22 H new ATOM 0 HG21 VAL B 392 6.576 -1.073 -3.971 1.00 60.13 H new ATOM 0 HG22 VAL B 392 7.397 -1.748 -2.544 1.00 60.13 H new ATOM 0 HG23 VAL B 392 8.350 -1.012 -3.854 1.00 60.13 H new ATOM 1387 N GLN B 393 8.221 -6.072 -3.844 1.00 71.33 N ATOM 1388 CA GLN B 393 8.174 -7.430 -4.372 1.00 24.11 C ATOM 1389 C GLN B 393 6.875 -8.125 -3.975 1.00 44.32 C ATOM 1390 O GLN B 393 6.664 -8.445 -2.806 1.00 72.41 O ATOM 1391 CB GLN B 393 9.373 -8.237 -3.868 1.00 34.22 C ATOM 1392 CG GLN B 393 9.518 -8.228 -2.354 1.00 71.23 C ATOM 1393 CD GLN B 393 10.909 -7.827 -1.904 1.00 50.04 C ATOM 1394 OE1 GLN B 393 11.863 -8.592 -2.042 1.00 64.12 O ATOM 1395 NE2 GLN B 393 11.032 -6.620 -1.364 1.00 34.33 N ATOM 0 H GLN B 393 7.753 -5.952 -2.945 1.00 71.33 H new ATOM 0 HA GLN B 393 8.215 -7.371 -5.460 1.00 24.11 H new ATOM 0 HB2 GLN B 393 9.276 -9.268 -4.210 1.00 34.22 H new ATOM 0 HB3 GLN B 393 10.283 -7.837 -4.315 1.00 34.22 H new ATOM 0 HG2 GLN B 393 8.789 -7.539 -1.927 1.00 71.23 H new ATOM 0 HG3 GLN B 393 9.286 -9.219 -1.965 1.00 71.23 H new ATOM 0 HE21 GLN B 393 10.214 -6.018 -1.269 1.00 34.33 H new ATOM 0 HE22 GLN B 393 11.944 -6.295 -1.044 1.00 34.33 H new ATOM 1404 N ARG B 394 6.009 -8.353 -4.958 1.00 3.15 N ATOM 1405 CA ARG B 394 4.730 -9.008 -4.710 1.00 70.14 C ATOM 1406 C ARG B 394 4.937 -10.440 -4.226 1.00 22.34 C ATOM 1407 O ARG B 394 6.067 -10.920 -4.141 1.00 63.52 O ATOM 1408 CB ARG B 394 3.878 -9.007 -5.981 1.00 41.31 C ATOM 1409 CG ARG B 394 4.631 -9.466 -7.219 1.00 3.53 C ATOM 1410 CD ARG B 394 4.977 -8.295 -8.126 1.00 63.12 C ATOM 1411 NE ARG B 394 4.261 -8.357 -9.397 1.00 53.14 N ATOM 1412 CZ ARG B 394 4.228 -7.358 -10.272 1.00 2.21 C ATOM 1413 NH1 ARG B 394 4.870 -6.226 -10.014 1.00 52.32 N ATOM 1414 NH2 ARG B 394 3.554 -7.489 -11.407 1.00 61.32 N ATOM 0 H ARG B 394 6.170 -8.094 -5.931 1.00 3.15 H new ATOM 0 HA ARG B 394 4.210 -8.451 -3.931 1.00 70.14 H new ATOM 0 HB2 ARG B 394 3.015 -9.655 -5.830 1.00 41.31 H new ATOM 0 HB3 ARG B 394 3.495 -8.001 -6.151 1.00 41.31 H new ATOM 0 HG2 ARG B 394 5.545 -9.979 -6.921 1.00 3.53 H new ATOM 0 HG3 ARG B 394 4.025 -10.187 -7.768 1.00 3.53 H new ATOM 0 HD2 ARG B 394 4.736 -7.361 -7.619 1.00 63.12 H new ATOM 0 HD3 ARG B 394 6.051 -8.288 -8.315 1.00 63.12 H new ATOM 0 HE ARG B 394 3.758 -9.215 -9.626 1.00 53.14 H new ATOM 0 HH11 ARG B 394 5.390 -6.122 -9.143 1.00 52.32 H new ATOM 0 HH12 ARG B 394 4.844 -5.460 -10.687 1.00 52.32 H new ATOM 0 HH21 ARG B 394 3.060 -8.358 -11.609 1.00 61.32 H new ATOM 0 HH22 ARG B 394 3.530 -6.721 -12.077 1.00 61.32 H new ATOM 1428 N SER B 395 3.838 -11.116 -3.907 1.00 60.03 N ATOM 1429 CA SER B 395 3.899 -12.492 -3.426 1.00 74.12 C ATOM 1430 C SER B 395 2.767 -13.325 -4.019 1.00 74.00 C ATOM 1431 O SER B 395 2.077 -12.887 -4.940 1.00 14.01 O ATOM 1432 CB SER B 395 3.825 -12.524 -1.898 1.00 42.33 C ATOM 1433 OG SER B 395 4.493 -11.410 -1.332 1.00 41.43 O ATOM 0 H SER B 395 2.895 -10.734 -3.973 1.00 60.03 H new ATOM 0 HA SER B 395 4.849 -12.921 -3.746 1.00 74.12 H new ATOM 0 HB2 SER B 395 2.782 -12.526 -1.581 1.00 42.33 H new ATOM 0 HB3 SER B 395 4.272 -13.447 -1.528 1.00 42.33 H new ATOM 0 HG SER B 395 4.852 -11.655 -0.454 1.00 41.43 H new ATOM 1439 N GLN B 396 2.582 -14.527 -3.484 1.00 63.11 N ATOM 1440 CA GLN B 396 1.534 -15.423 -3.960 1.00 65.34 C ATOM 1441 C GLN B 396 0.154 -14.895 -3.583 1.00 64.13 C ATOM 1442 O GLN B 396 -0.832 -15.167 -4.265 1.00 72.01 O ATOM 1443 CB GLN B 396 1.733 -16.826 -3.384 1.00 73.12 C ATOM 1444 CG GLN B 396 1.510 -16.903 -1.882 1.00 2.24 C ATOM 1445 CD GLN B 396 2.361 -17.970 -1.220 1.00 45.45 C ATOM 1446 OE1 GLN B 396 2.891 -18.860 -1.887 1.00 54.52 O ATOM 1447 NE2 GLN B 396 2.498 -17.885 0.098 1.00 33.32 N ATOM 0 H GLN B 396 3.144 -14.903 -2.721 1.00 63.11 H new ATOM 0 HA GLN B 396 1.599 -15.473 -5.047 1.00 65.34 H new ATOM 0 HB2 GLN B 396 1.049 -17.514 -3.880 1.00 73.12 H new ATOM 0 HB3 GLN B 396 2.744 -17.163 -3.611 1.00 73.12 H new ATOM 0 HG2 GLN B 396 1.735 -15.935 -1.435 1.00 2.24 H new ATOM 0 HG3 GLN B 396 0.458 -17.108 -1.685 1.00 2.24 H new ATOM 0 HE21 GLN B 396 2.041 -17.131 0.611 1.00 33.32 H new ATOM 0 HE22 GLN B 396 3.060 -18.574 0.598 1.00 33.32 H new ATOM 1456 N ASN B 397 0.094 -14.138 -2.492 1.00 71.00 N ATOM 1457 CA ASN B 397 -1.166 -13.573 -2.023 1.00 24.05 C ATOM 1458 C ASN B 397 -1.934 -12.928 -3.173 1.00 33.41 C ATOM 1459 O ASN B 397 -1.388 -12.659 -4.243 1.00 13.52 O ATOM 1460 CB ASN B 397 -0.907 -12.540 -0.925 1.00 14.53 C ATOM 1461 CG ASN B 397 -1.370 -13.017 0.438 1.00 5.45 C ATOM 1462 OD1 ASN B 397 -2.186 -12.367 1.092 1.00 71.12 O ATOM 1463 ND2 ASN B 397 -0.847 -14.156 0.875 1.00 71.34 N ATOM 0 H ASN B 397 0.903 -13.902 -1.917 1.00 71.00 H new ATOM 0 HA ASN B 397 -1.770 -14.383 -1.615 1.00 24.05 H new ATOM 0 HB2 ASN B 397 0.159 -12.315 -0.886 1.00 14.53 H new ATOM 0 HB3 ASN B 397 -1.420 -11.611 -1.175 1.00 14.53 H new ATOM 0 HD21 ASN B 397 -1.118 -14.525 1.786 1.00 71.34 H new ATOM 0 HD22 ASN B 397 -0.174 -14.662 0.300 1.00 71.34 H new ATOM 1470 N PRO B 398 -3.232 -12.676 -2.949 1.00 34.00 N ATOM 1471 CA PRO B 398 -4.104 -12.060 -3.954 1.00 24.12 C ATOM 1472 C PRO B 398 -3.760 -10.594 -4.199 1.00 33.14 C ATOM 1473 O PRO B 398 -4.139 -10.019 -5.220 1.00 22.41 O ATOM 1474 CB PRO B 398 -5.500 -12.186 -3.338 1.00 42.22 C ATOM 1475 CG PRO B 398 -5.261 -12.257 -1.869 1.00 62.13 C ATOM 1476 CD PRO B 398 -3.950 -12.972 -1.697 1.00 22.22 C ATOM 0 HA PRO B 398 -4.008 -12.541 -4.927 1.00 24.12 H new ATOM 0 HB2 PRO B 398 -6.125 -11.331 -3.596 1.00 42.22 H new ATOM 0 HB3 PRO B 398 -6.013 -13.077 -3.699 1.00 42.22 H new ATOM 0 HG2 PRO B 398 -5.222 -11.259 -1.431 1.00 62.13 H new ATOM 0 HG3 PRO B 398 -6.067 -12.793 -1.368 1.00 62.13 H new ATOM 0 HD2 PRO B 398 -3.405 -12.608 -0.826 1.00 22.22 H new ATOM 0 HD3 PRO B 398 -4.092 -14.044 -1.559 1.00 22.22 H new ATOM 1484 N LEU B 399 -3.041 -9.995 -3.256 1.00 60.42 N ATOM 1485 CA LEU B 399 -2.645 -8.596 -3.370 1.00 43.31 C ATOM 1486 C LEU B 399 -1.697 -8.204 -2.241 1.00 71.31 C ATOM 1487 O LEU B 399 -1.976 -7.283 -1.474 1.00 3.05 O ATOM 1488 CB LEU B 399 -3.880 -7.693 -3.350 1.00 52.14 C ATOM 1489 CG LEU B 399 -3.865 -6.514 -4.324 1.00 3.44 C ATOM 1490 CD1 LEU B 399 -2.717 -5.569 -4.000 1.00 33.53 C ATOM 1491 CD2 LEU B 399 -3.761 -7.007 -5.759 1.00 13.11 C ATOM 0 H LEU B 399 -2.721 -10.456 -2.404 1.00 60.42 H new ATOM 0 HA LEU B 399 -2.123 -8.468 -4.318 1.00 43.31 H new ATOM 0 HB2 LEU B 399 -4.756 -8.305 -3.565 1.00 52.14 H new ATOM 0 HB3 LEU B 399 -4.004 -7.302 -2.340 1.00 52.14 H new ATOM 0 HG LEU B 399 -4.802 -5.968 -4.216 1.00 3.44 H new ATOM 0 HD11 LEU B 399 -2.722 -4.736 -4.703 1.00 33.53 H new ATOM 0 HD12 LEU B 399 -2.835 -5.188 -2.985 1.00 33.53 H new ATOM 0 HD13 LEU B 399 -1.771 -6.105 -4.079 1.00 33.53 H new ATOM 0 HD21 LEU B 399 -3.752 -6.154 -6.437 1.00 13.11 H new ATOM 0 HD22 LEU B 399 -2.841 -7.578 -5.882 1.00 13.11 H new ATOM 0 HD23 LEU B 399 -4.616 -7.643 -5.988 1.00 13.11 H new ATOM 1503 N LYS B 400 -0.575 -8.909 -2.147 1.00 40.32 N ATOM 1504 CA LYS B 400 0.417 -8.634 -1.114 1.00 45.10 C ATOM 1505 C LYS B 400 1.699 -8.076 -1.725 1.00 72.25 C ATOM 1506 O LYS B 400 2.309 -8.705 -2.591 1.00 12.21 O ATOM 1507 CB LYS B 400 0.729 -9.908 -0.325 1.00 61.44 C ATOM 1508 CG LYS B 400 1.746 -9.703 0.784 1.00 41.20 C ATOM 1509 CD LYS B 400 2.477 -10.993 1.116 1.00 62.43 C ATOM 1510 CE LYS B 400 1.666 -11.866 2.060 1.00 74.31 C ATOM 1511 NZ LYS B 400 2.328 -13.175 2.312 1.00 24.52 N ATOM 0 H LYS B 400 -0.330 -9.675 -2.774 1.00 40.32 H new ATOM 0 HA LYS B 400 0.002 -7.887 -0.437 1.00 45.10 H new ATOM 0 HB2 LYS B 400 -0.195 -10.293 0.107 1.00 61.44 H new ATOM 0 HB3 LYS B 400 1.101 -10.669 -1.012 1.00 61.44 H new ATOM 0 HG2 LYS B 400 2.467 -8.943 0.482 1.00 41.20 H new ATOM 0 HG3 LYS B 400 1.243 -9.329 1.676 1.00 41.20 H new ATOM 0 HD2 LYS B 400 2.683 -11.542 0.197 1.00 62.43 H new ATOM 0 HD3 LYS B 400 3.440 -10.760 1.571 1.00 62.43 H new ATOM 0 HE2 LYS B 400 1.524 -11.343 3.006 1.00 74.31 H new ATOM 0 HE3 LYS B 400 0.676 -12.035 1.637 1.00 74.31 H new ATOM 0 HZ1 LYS B 400 1.743 -13.741 2.960 1.00 24.52 H new ATOM 0 HZ2 LYS B 400 2.441 -13.686 1.413 1.00 24.52 H new ATOM 0 HZ3 LYS B 400 3.263 -13.015 2.739 1.00 24.52 H new ATOM 1525 N ILE B 401 2.101 -6.895 -1.270 1.00 20.40 N ATOM 1526 CA ILE B 401 3.311 -6.255 -1.771 1.00 42.01 C ATOM 1527 C ILE B 401 4.228 -5.841 -0.626 1.00 1.25 C ATOM 1528 O ILE B 401 3.856 -5.023 0.217 1.00 40.24 O ATOM 1529 CB ILE B 401 2.981 -5.016 -2.623 1.00 41.20 C ATOM 1530 CG1 ILE B 401 1.471 -4.775 -2.649 1.00 34.44 C ATOM 1531 CG2 ILE B 401 3.520 -5.186 -4.035 1.00 74.15 C ATOM 1532 CD1 ILE B 401 0.936 -4.157 -1.376 1.00 31.42 C ATOM 0 H ILE B 401 1.607 -6.361 -0.555 1.00 20.40 H new ATOM 0 HA ILE B 401 3.821 -6.989 -2.395 1.00 42.01 H new ATOM 0 HB ILE B 401 3.461 -4.146 -2.174 1.00 41.20 H new ATOM 0 HG12 ILE B 401 1.230 -4.124 -3.489 1.00 34.44 H new ATOM 0 HG13 ILE B 401 0.963 -5.723 -2.825 1.00 34.44 H new ATOM 0 HG21 ILE B 401 3.279 -4.302 -4.625 1.00 74.15 H new ATOM 0 HG22 ILE B 401 4.602 -5.314 -3.999 1.00 74.15 H new ATOM 0 HG23 ILE B 401 3.066 -6.064 -4.494 1.00 74.15 H new ATOM 0 HD11 ILE B 401 -0.141 -4.015 -1.465 1.00 31.42 H new ATOM 0 HD12 ILE B 401 1.146 -4.817 -0.535 1.00 31.42 H new ATOM 0 HD13 ILE B 401 1.417 -3.193 -1.209 1.00 31.42 H new ATOM 1544 N ARG B 402 5.429 -6.409 -0.600 1.00 62.04 N ATOM 1545 CA ARG B 402 6.401 -6.099 0.441 1.00 11.21 C ATOM 1546 C ARG B 402 7.252 -4.895 0.049 1.00 42.34 C ATOM 1547 O ARG B 402 8.127 -4.993 -0.813 1.00 52.32 O ATOM 1548 CB ARG B 402 7.300 -7.307 0.707 1.00 23.41 C ATOM 1549 CG ARG B 402 6.696 -8.315 1.671 1.00 14.23 C ATOM 1550 CD ARG B 402 7.635 -8.607 2.832 1.00 52.31 C ATOM 1551 NE ARG B 402 8.774 -9.423 2.422 1.00 74.23 N ATOM 1552 CZ ARG B 402 8.712 -10.740 2.252 1.00 11.42 C ATOM 1553 NH1 ARG B 402 7.571 -11.385 2.454 1.00 11.22 N ATOM 1554 NH2 ARG B 402 9.792 -11.413 1.877 1.00 31.24 N ATOM 0 H ARG B 402 5.753 -7.088 -1.289 1.00 62.04 H new ATOM 0 HA ARG B 402 5.854 -5.855 1.352 1.00 11.21 H new ATOM 0 HB2 ARG B 402 7.515 -7.805 -0.239 1.00 23.41 H new ATOM 0 HB3 ARG B 402 8.252 -6.959 1.108 1.00 23.41 H new ATOM 0 HG2 ARG B 402 5.750 -7.932 2.054 1.00 14.23 H new ATOM 0 HG3 ARG B 402 6.474 -9.240 1.140 1.00 14.23 H new ATOM 0 HD2 ARG B 402 7.994 -7.668 3.253 1.00 52.31 H new ATOM 0 HD3 ARG B 402 7.087 -9.121 3.622 1.00 52.31 H new ATOM 0 HE ARG B 402 9.666 -8.957 2.257 1.00 74.23 H new ATOM 0 HH11 ARG B 402 6.738 -10.871 2.741 1.00 11.22 H new ATOM 0 HH12 ARG B 402 7.526 -12.396 2.323 1.00 11.22 H new ATOM 0 HH21 ARG B 402 10.671 -10.920 1.719 1.00 31.24 H new ATOM 0 HH22 ARG B 402 9.744 -12.423 1.747 1.00 31.24 H new ATOM 1568 N LEU B 403 6.991 -3.758 0.687 1.00 71.53 N ATOM 1569 CA LEU B 403 7.732 -2.535 0.405 1.00 41.25 C ATOM 1570 C LEU B 403 8.900 -2.370 1.372 1.00 11.55 C ATOM 1571 O LEU B 403 8.749 -2.552 2.581 1.00 2.21 O ATOM 1572 CB LEU B 403 6.806 -1.321 0.495 1.00 75.42 C ATOM 1573 CG LEU B 403 5.947 -1.039 -0.739 1.00 73.41 C ATOM 1574 CD1 LEU B 403 5.439 -2.340 -1.343 1.00 41.43 C ATOM 1575 CD2 LEU B 403 4.784 -0.125 -0.382 1.00 54.31 C ATOM 0 H LEU B 403 6.271 -3.659 1.403 1.00 71.53 H new ATOM 0 HA LEU B 403 8.130 -2.607 -0.607 1.00 41.25 H new ATOM 0 HB2 LEU B 403 6.144 -1.457 1.350 1.00 75.42 H new ATOM 0 HB3 LEU B 403 7.414 -0.440 0.699 1.00 75.42 H new ATOM 0 HG LEU B 403 6.565 -0.534 -1.481 1.00 73.41 H new ATOM 0 HD11 LEU B 403 4.830 -2.121 -2.220 1.00 41.43 H new ATOM 0 HD12 LEU B 403 6.286 -2.960 -1.636 1.00 41.43 H new ATOM 0 HD13 LEU B 403 4.837 -2.872 -0.607 1.00 41.43 H new ATOM 0 HD21 LEU B 403 4.184 0.065 -1.272 1.00 54.31 H new ATOM 0 HD22 LEU B 403 4.165 -0.603 0.378 1.00 54.31 H new ATOM 0 HD23 LEU B 403 5.168 0.819 0.004 1.00 54.31 H new ATOM 1587 N THR B 404 10.064 -2.021 0.834 1.00 24.10 N ATOM 1588 CA THR B 404 11.257 -1.831 1.649 1.00 63.01 C ATOM 1589 C THR B 404 12.146 -0.734 1.074 1.00 32.40 C ATOM 1590 O THR B 404 12.200 -0.538 -0.139 1.00 50.24 O ATOM 1591 CB THR B 404 12.074 -3.131 1.763 1.00 63.22 C ATOM 1592 OG1 THR B 404 12.738 -3.403 0.523 1.00 4.12 O ATOM 1593 CG2 THR B 404 11.177 -4.304 2.130 1.00 23.10 C ATOM 0 H THR B 404 10.206 -1.864 -0.164 1.00 24.10 H new ATOM 0 HA THR B 404 10.917 -1.537 2.642 1.00 63.01 H new ATOM 0 HB THR B 404 12.815 -3.000 2.551 1.00 63.22 H new ATOM 0 HG1 THR B 404 13.257 -4.230 0.604 1.00 4.12 H new ATOM 0 HG21 THR B 404 11.777 -5.211 2.205 1.00 23.10 H new ATOM 0 HG22 THR B 404 10.695 -4.108 3.088 1.00 23.10 H new ATOM 0 HG23 THR B 404 10.416 -4.435 1.361 1.00 23.10 H new ATOM 1601 N ARG B 405 12.844 -0.022 1.955 1.00 75.14 N ATOM 1602 CA ARG B 405 13.730 1.056 1.533 1.00 14.24 C ATOM 1603 C ARG B 405 14.679 0.582 0.436 1.00 25.54 C ATOM 1604 O ARG B 405 15.899 0.636 0.591 1.00 23.04 O ATOM 1605 CB ARG B 405 14.533 1.580 2.726 1.00 60.40 C ATOM 1606 CG ARG B 405 13.753 2.536 3.612 1.00 12.32 C ATOM 1607 CD ARG B 405 14.583 2.999 4.799 1.00 3.10 C ATOM 1608 NE ARG B 405 15.991 3.165 4.450 1.00 62.01 N ATOM 1609 CZ ARG B 405 16.442 4.126 3.652 1.00 22.04 C ATOM 1610 NH1 ARG B 405 15.600 5.003 3.123 1.00 21.31 N ATOM 1611 NH2 ARG B 405 17.738 4.213 3.381 1.00 23.41 N ATOM 0 H ARG B 405 12.813 -0.173 2.963 1.00 75.14 H new ATOM 0 HA ARG B 405 13.116 1.863 1.134 1.00 14.24 H new ATOM 0 HB2 ARG B 405 14.870 0.735 3.326 1.00 60.40 H new ATOM 0 HB3 ARG B 405 15.426 2.085 2.358 1.00 60.40 H new ATOM 0 HG2 ARG B 405 13.438 3.401 3.028 1.00 12.32 H new ATOM 0 HG3 ARG B 405 12.847 2.046 3.969 1.00 12.32 H new ATOM 0 HD2 ARG B 405 14.188 3.944 5.171 1.00 3.10 H new ATOM 0 HD3 ARG B 405 14.493 2.275 5.609 1.00 3.10 H new ATOM 0 HE ARG B 405 16.665 2.507 4.841 1.00 62.01 H new ATOM 0 HH11 ARG B 405 14.603 4.941 3.329 1.00 21.31 H new ATOM 0 HH12 ARG B 405 15.949 5.740 2.510 1.00 21.31 H new ATOM 0 HH21 ARG B 405 18.390 3.541 3.786 1.00 23.41 H new ATOM 0 HH22 ARG B 405 18.082 4.952 2.768 1.00 23.41 H new