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 Set 1.1: A 607 CYS SG : rot -137:sc= 0.504 USER MOD Set 1.2: A 662 SER OG : rot 180:sc= 0.463 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -157:sc= -0.391 (180deg=-1.49!) 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+ -112:sc= -0.15 (180deg=-1.33) USER MOD Single : A 617 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.16) USER MOD Single : A 619 SER OG : rot 50:sc= -0.663 USER MOD Single : A 623 ASN : amide:sc= -0.36 K(o=-0.36,f=-0.88) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -147:sc= -0.556 (180deg=-1.84!) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 638 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.062) USER MOD Single : A 639 SER OG : rot 180:sc= 0 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 663 THR OG1 : rot 180:sc= 0 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 104:sc= -0.373! USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot 10:sc= 0.797 USER MOD Single : B 393 GLN : amide:sc= 0.148 K(o=0.15,f=-1.7!) USER MOD Single : B 395 SER OG : rot 180:sc= 0.0116 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 397 ASN : amide:sc= -3.18 K(o=-3.2,f=-2.3) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot -160:sc= -1.45 USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -17.125 3.522 6.673 1.00 70.22 N ATOM 107 CA CYS A 607 -16.033 3.026 5.842 1.00 10.22 C ATOM 108 C CYS A 607 -16.488 1.841 4.997 1.00 33.41 C ATOM 109 O CYS A 607 -16.946 0.827 5.526 1.00 60.11 O ATOM 110 CB CYS A 607 -14.845 2.620 6.715 1.00 11.11 C ATOM 111 SG CYS A 607 -14.207 3.952 7.759 1.00 50.43 S ATOM 0 HA CYS A 607 -15.725 3.829 5.172 1.00 10.22 H new ATOM 0 HB2 CYS A 607 -15.143 1.786 7.350 1.00 11.11 H new ATOM 0 HB3 CYS A 607 -14.042 2.260 6.072 1.00 11.11 H new ATOM 0 HG CYS A 607 -12.907 3.938 7.734 1.00 50.43 H new ATOM 117 N LYS A 608 -16.360 1.974 3.682 1.00 62.33 N ATOM 118 CA LYS A 608 -16.758 0.915 2.762 1.00 23.31 C ATOM 119 C LYS A 608 -15.557 0.062 2.364 1.00 33.52 C ATOM 120 O LYS A 608 -14.413 0.515 2.370 1.00 23.45 O ATOM 121 CB LYS A 608 -17.407 1.514 1.512 1.00 35.44 C ATOM 122 CG LYS A 608 -18.396 2.627 1.816 1.00 61.35 C ATOM 123 CD LYS A 608 -19.576 2.119 2.627 1.00 43.00 C ATOM 124 CE LYS A 608 -20.866 2.821 2.233 1.00 54.05 C ATOM 125 NZ LYS A 608 -21.458 2.239 0.995 1.00 20.54 N ATOM 0 H LYS A 608 -15.983 2.806 3.228 1.00 62.33 H new ATOM 0 HA LYS A 608 -17.482 0.279 3.271 1.00 23.31 H new ATOM 0 HB2 LYS A 608 -16.626 1.901 0.857 1.00 35.44 H new ATOM 0 HB3 LYS A 608 -17.919 0.723 0.964 1.00 35.44 H new ATOM 0 HG2 LYS A 608 -17.892 3.423 2.365 1.00 61.35 H new ATOM 0 HG3 LYS A 608 -18.755 3.061 0.883 1.00 61.35 H new ATOM 0 HD2 LYS A 608 -19.685 1.045 2.479 1.00 43.00 H new ATOM 0 HD3 LYS A 608 -19.384 2.277 3.688 1.00 43.00 H new ATOM 0 HE2 LYS A 608 -21.584 2.746 3.049 1.00 54.05 H new ATOM 0 HE3 LYS A 608 -20.670 3.882 2.078 1.00 54.05 H new ATOM 0 HZ1 LYS A 608 -22.336 2.744 0.759 1.00 20.54 H new ATOM 0 HZ2 LYS A 608 -20.783 2.333 0.210 1.00 20.54 H new ATOM 0 HZ3 LYS A 608 -21.669 1.233 1.151 1.00 20.54 H new ATOM 139 N PRO A 609 -15.822 -1.204 2.007 1.00 34.34 N ATOM 140 CA PRO A 609 -14.778 -2.147 1.598 1.00 23.23 C ATOM 141 C PRO A 609 -14.172 -1.789 0.245 1.00 33.32 C ATOM 142 O PRO A 609 -14.763 -1.038 -0.531 1.00 53.11 O ATOM 143 CB PRO A 609 -15.518 -3.484 1.516 1.00 24.23 C ATOM 144 CG PRO A 609 -16.938 -3.116 1.260 1.00 0.53 C ATOM 145 CD PRO A 609 -17.164 -1.813 1.976 1.00 2.12 C ATOM 0 HA PRO A 609 -13.939 -2.152 2.293 1.00 23.23 H new ATOM 0 HB2 PRO A 609 -15.120 -4.108 0.716 1.00 24.23 H new ATOM 0 HB3 PRO A 609 -15.417 -4.050 2.442 1.00 24.23 H new ATOM 0 HG2 PRO A 609 -17.128 -3.012 0.192 1.00 0.53 H new ATOM 0 HG3 PRO A 609 -17.614 -3.887 1.630 1.00 0.53 H new ATOM 0 HD2 PRO A 609 -17.879 -1.183 1.448 1.00 2.12 H new ATOM 0 HD3 PRO A 609 -17.558 -1.969 2.980 1.00 2.12 H new ATOM 153 N MET A 610 -12.991 -2.332 -0.032 1.00 23.21 N ATOM 154 CA MET A 610 -12.308 -2.070 -1.293 1.00 63.45 C ATOM 155 C MET A 610 -12.120 -3.360 -2.088 1.00 40.41 C ATOM 156 O MET A 610 -11.663 -4.370 -1.552 1.00 12.53 O ATOM 157 CB MET A 610 -10.949 -1.415 -1.035 1.00 71.42 C ATOM 158 CG MET A 610 -11.041 -0.116 -0.251 1.00 60.33 C ATOM 159 SD MET A 610 -11.374 1.309 -1.303 1.00 63.03 S ATOM 160 CE MET A 610 -9.930 1.291 -2.363 1.00 40.41 C ATOM 0 H MET A 610 -12.488 -2.955 0.599 1.00 23.21 H new ATOM 0 HA MET A 610 -12.927 -1.390 -1.878 1.00 63.45 H new ATOM 0 HB2 MET A 610 -10.315 -2.115 -0.490 1.00 71.42 H new ATOM 0 HB3 MET A 610 -10.461 -1.220 -1.990 1.00 71.42 H new ATOM 0 HG2 MET A 610 -11.829 -0.203 0.497 1.00 60.33 H new ATOM 0 HG3 MET A 610 -10.107 0.045 0.288 1.00 60.33 H new ATOM 0 HE1 MET A 610 -9.767 2.288 -2.773 1.00 40.41 H new ATOM 0 HE2 MET A 610 -9.057 0.990 -1.784 1.00 40.41 H new ATOM 0 HE3 MET A 610 -10.086 0.584 -3.178 1.00 40.41 H new ATOM 170 N SER A 611 -12.477 -3.317 -3.367 1.00 62.14 N ATOM 171 CA SER A 611 -12.352 -4.484 -4.234 1.00 42.52 C ATOM 172 C SER A 611 -10.905 -4.676 -4.681 1.00 62.32 C ATOM 173 O SER A 611 -10.171 -3.708 -4.880 1.00 1.34 O ATOM 174 CB SER A 611 -13.259 -4.337 -5.457 1.00 50.53 C ATOM 175 OG SER A 611 -14.098 -5.468 -5.609 1.00 20.33 O ATOM 0 H SER A 611 -12.855 -2.488 -3.826 1.00 62.14 H new ATOM 0 HA SER A 611 -12.659 -5.362 -3.666 1.00 42.52 H new ATOM 0 HB2 SER A 611 -13.869 -3.439 -5.356 1.00 50.53 H new ATOM 0 HB3 SER A 611 -12.650 -4.209 -6.352 1.00 50.53 H new ATOM 0 HG SER A 611 -14.669 -5.348 -6.397 1.00 20.33 H new ATOM 181 N TYR A 612 -10.503 -5.933 -4.837 1.00 13.34 N ATOM 182 CA TYR A 612 -9.144 -6.254 -5.257 1.00 53.34 C ATOM 183 C TYR A 612 -8.827 -5.616 -6.607 1.00 3.45 C ATOM 184 O TYR A 612 -7.679 -5.273 -6.887 1.00 52.41 O ATOM 185 CB TYR A 612 -8.959 -7.770 -5.341 1.00 1.51 C ATOM 186 CG TYR A 612 -10.062 -8.474 -6.099 1.00 11.14 C ATOM 187 CD1 TYR A 612 -10.057 -8.522 -7.487 1.00 53.34 C ATOM 188 CD2 TYR A 612 -11.110 -9.091 -5.426 1.00 64.23 C ATOM 189 CE1 TYR A 612 -11.063 -9.164 -8.183 1.00 12.40 C ATOM 190 CE2 TYR A 612 -12.119 -9.737 -6.114 1.00 1.34 C ATOM 191 CZ TYR A 612 -12.091 -9.769 -7.493 1.00 14.22 C ATOM 192 OH TYR A 612 -13.095 -10.411 -8.182 1.00 53.32 O ATOM 0 H TYR A 612 -11.099 -6.746 -4.679 1.00 13.34 H new ATOM 0 HA TYR A 612 -8.456 -5.851 -4.514 1.00 53.34 H new ATOM 0 HB2 TYR A 612 -8.005 -7.985 -5.822 1.00 1.51 H new ATOM 0 HB3 TYR A 612 -8.906 -8.178 -4.331 1.00 1.51 H new ATOM 0 HD1 TYR A 612 -9.253 -8.049 -8.032 1.00 53.34 H new ATOM 0 HD2 TYR A 612 -11.136 -9.065 -4.347 1.00 64.23 H new ATOM 0 HE1 TYR A 612 -11.044 -9.192 -9.262 1.00 12.40 H new ATOM 0 HE2 TYR A 612 -12.925 -10.214 -5.576 1.00 1.34 H new ATOM 0 HH TYR A 612 -13.741 -10.785 -7.546 1.00 53.32 H new ATOM 202 N GLU A 613 -9.853 -5.461 -7.437 1.00 1.34 N ATOM 203 CA GLU A 613 -9.684 -4.865 -8.757 1.00 11.44 C ATOM 204 C GLU A 613 -8.953 -3.528 -8.660 1.00 33.20 C ATOM 205 O GLU A 613 -7.857 -3.369 -9.194 1.00 25.20 O ATOM 206 CB GLU A 613 -11.043 -4.668 -9.430 1.00 52.24 C ATOM 207 CG GLU A 613 -11.029 -4.948 -10.923 1.00 54.15 C ATOM 208 CD GLU A 613 -12.344 -4.602 -11.595 1.00 4.12 C ATOM 209 OE1 GLU A 613 -13.373 -4.544 -10.890 1.00 31.54 O ATOM 210 OE2 GLU A 613 -12.344 -4.388 -12.825 1.00 52.44 O ATOM 0 H GLU A 613 -10.810 -5.740 -7.219 1.00 1.34 H new ATOM 0 HA GLU A 613 -9.083 -5.545 -9.361 1.00 11.44 H new ATOM 0 HB2 GLU A 613 -11.773 -5.322 -8.953 1.00 52.24 H new ATOM 0 HB3 GLU A 613 -11.376 -3.643 -9.264 1.00 52.24 H new ATOM 0 HG2 GLU A 613 -10.226 -4.376 -11.388 1.00 54.15 H new ATOM 0 HG3 GLU A 613 -10.807 -6.002 -11.089 1.00 54.15 H new ATOM 217 N GLU A 614 -9.572 -2.570 -7.975 1.00 74.54 N ATOM 218 CA GLU A 614 -8.982 -1.247 -7.811 1.00 1.00 C ATOM 219 C GLU A 614 -7.626 -1.339 -7.116 1.00 31.44 C ATOM 220 O GLU A 614 -6.663 -0.686 -7.520 1.00 21.44 O ATOM 221 CB GLU A 614 -9.918 -0.343 -7.007 1.00 52.33 C ATOM 222 CG GLU A 614 -10.774 0.568 -7.871 1.00 51.14 C ATOM 223 CD GLU A 614 -12.065 -0.091 -8.314 1.00 13.22 C ATOM 224 OE1 GLU A 614 -11.998 -1.068 -9.089 1.00 4.10 O ATOM 225 OE2 GLU A 614 -13.145 0.370 -7.885 1.00 43.54 O ATOM 0 H GLU A 614 -10.480 -2.686 -7.526 1.00 74.54 H new ATOM 0 HA GLU A 614 -8.836 -0.817 -8.802 1.00 1.00 H new ATOM 0 HB2 GLU A 614 -10.569 -0.964 -6.392 1.00 52.33 H new ATOM 0 HB3 GLU A 614 -9.324 0.268 -6.327 1.00 52.33 H new ATOM 0 HG2 GLU A 614 -11.006 1.476 -7.315 1.00 51.14 H new ATOM 0 HG3 GLU A 614 -10.204 0.869 -8.750 1.00 51.14 H new ATOM 232 N LYS A 615 -7.559 -2.155 -6.069 1.00 2.42 N ATOM 233 CA LYS A 615 -6.323 -2.334 -5.316 1.00 42.45 C ATOM 234 C LYS A 615 -5.182 -2.758 -6.237 1.00 35.10 C ATOM 235 O LYS A 615 -4.082 -2.212 -6.169 1.00 25.34 O ATOM 236 CB LYS A 615 -6.519 -3.378 -4.216 1.00 30.35 C ATOM 237 CG LYS A 615 -7.492 -2.945 -3.133 1.00 73.22 C ATOM 238 CD LYS A 615 -7.165 -1.556 -2.612 1.00 73.41 C ATOM 239 CE LYS A 615 -5.699 -1.437 -2.226 1.00 40.54 C ATOM 240 NZ LYS A 615 -5.409 -0.148 -1.540 1.00 2.23 N ATOM 0 H LYS A 615 -8.347 -2.703 -5.723 1.00 2.42 H new ATOM 0 HA LYS A 615 -6.063 -1.379 -4.860 1.00 42.45 H new ATOM 0 HB2 LYS A 615 -6.877 -4.304 -4.665 1.00 30.35 H new ATOM 0 HB3 LYS A 615 -5.554 -3.598 -3.759 1.00 30.35 H new ATOM 0 HG2 LYS A 615 -8.507 -2.956 -3.529 1.00 73.22 H new ATOM 0 HG3 LYS A 615 -7.463 -3.659 -2.310 1.00 73.22 H new ATOM 0 HD2 LYS A 615 -7.403 -0.815 -3.375 1.00 73.41 H new ATOM 0 HD3 LYS A 615 -7.789 -1.334 -1.747 1.00 73.41 H new ATOM 0 HE2 LYS A 615 -5.427 -2.266 -1.572 1.00 40.54 H new ATOM 0 HE3 LYS A 615 -5.080 -1.520 -3.120 1.00 40.54 H new ATOM 0 HZ1 LYS A 615 -4.809 0.443 -2.150 1.00 2.23 H new ATOM 0 HZ2 LYS A 615 -6.301 0.350 -1.345 1.00 2.23 H new ATOM 0 HZ3 LYS A 615 -4.914 -0.335 -0.644 1.00 2.23 H new ATOM 254 N ARG A 616 -5.455 -3.733 -7.098 1.00 21.25 N ATOM 255 CA ARG A 616 -4.452 -4.230 -8.031 1.00 70.34 C ATOM 256 C ARG A 616 -3.825 -3.083 -8.818 1.00 40.23 C ATOM 257 O ARG A 616 -2.658 -3.146 -9.204 1.00 12.03 O ATOM 258 CB ARG A 616 -5.077 -5.241 -8.996 1.00 1.55 C ATOM 259 CG ARG A 616 -5.520 -4.631 -10.314 1.00 52.42 C ATOM 260 CD ARG A 616 -4.397 -4.640 -11.339 1.00 65.41 C ATOM 261 NE ARG A 616 -4.787 -5.313 -12.574 1.00 75.13 N ATOM 262 CZ ARG A 616 -4.092 -5.238 -13.704 1.00 21.11 C ATOM 263 NH1 ARG A 616 -2.976 -4.524 -13.753 1.00 4.20 N ATOM 264 NH2 ARG A 616 -4.512 -5.880 -14.787 1.00 5.15 N ATOM 0 H ARG A 616 -6.362 -4.194 -7.168 1.00 21.25 H new ATOM 0 HA ARG A 616 -3.670 -4.723 -7.454 1.00 70.34 H new ATOM 0 HB2 ARG A 616 -4.356 -6.033 -9.196 1.00 1.55 H new ATOM 0 HB3 ARG A 616 -5.936 -5.707 -8.514 1.00 1.55 H new ATOM 0 HG2 ARG A 616 -6.374 -5.185 -10.704 1.00 52.42 H new ATOM 0 HG3 ARG A 616 -5.854 -3.607 -10.148 1.00 52.42 H new ATOM 0 HD2 ARG A 616 -4.103 -3.615 -11.563 1.00 65.41 H new ATOM 0 HD3 ARG A 616 -3.524 -5.137 -10.916 1.00 65.41 H new ATOM 0 HE ARG A 616 -5.640 -5.872 -12.569 1.00 75.13 H new ATOM 0 HH11 ARG A 616 -2.649 -4.031 -12.922 1.00 4.20 H new ATOM 0 HH12 ARG A 616 -2.444 -4.468 -14.622 1.00 4.20 H new ATOM 0 HH21 ARG A 616 -5.369 -6.432 -14.752 1.00 5.15 H new ATOM 0 HH22 ARG A 616 -3.978 -5.822 -15.654 1.00 5.15 H new ATOM 278 N GLN A 617 -4.609 -2.035 -9.052 1.00 54.03 N ATOM 279 CA GLN A 617 -4.131 -0.874 -9.793 1.00 71.24 C ATOM 280 C GLN A 617 -3.080 -0.112 -8.993 1.00 13.54 C ATOM 281 O GLN A 617 -2.128 0.430 -9.555 1.00 60.15 O ATOM 282 CB GLN A 617 -5.298 0.053 -10.138 1.00 44.24 C ATOM 283 CG GLN A 617 -4.942 1.126 -11.154 1.00 41.44 C ATOM 284 CD GLN A 617 -4.469 0.547 -12.473 1.00 52.43 C ATOM 285 OE1 GLN A 617 -5.268 0.059 -13.273 1.00 43.51 O ATOM 286 NE2 GLN A 617 -3.163 0.599 -12.708 1.00 12.02 N ATOM 0 H GLN A 617 -5.577 -1.966 -8.739 1.00 54.03 H new ATOM 0 HA GLN A 617 -3.672 -1.228 -10.716 1.00 71.24 H new ATOM 0 HB2 GLN A 617 -6.123 -0.544 -10.526 1.00 44.24 H new ATOM 0 HB3 GLN A 617 -5.653 0.532 -9.225 1.00 44.24 H new ATOM 0 HG2 GLN A 617 -5.813 1.757 -11.330 1.00 41.44 H new ATOM 0 HG3 GLN A 617 -4.162 1.766 -10.742 1.00 41.44 H new ATOM 0 HE21 GLN A 617 -2.537 1.012 -12.017 1.00 12.02 H new ATOM 0 HE22 GLN A 617 -2.786 0.226 -13.579 1.00 12.02 H new ATOM 295 N LEU A 618 -3.260 -0.072 -7.677 1.00 34.34 N ATOM 296 CA LEU A 618 -2.328 0.624 -6.797 1.00 42.54 C ATOM 297 C LEU A 618 -0.963 -0.057 -6.802 1.00 22.01 C ATOM 298 O LEU A 618 0.072 0.604 -6.887 1.00 51.14 O ATOM 299 CB LEU A 618 -2.881 0.675 -5.373 1.00 11.33 C ATOM 300 CG LEU A 618 -4.025 1.661 -5.131 1.00 44.31 C ATOM 301 CD1 LEU A 618 -3.662 3.040 -5.662 1.00 64.44 C ATOM 302 CD2 LEU A 618 -5.307 1.159 -5.778 1.00 30.45 C ATOM 0 H LEU A 618 -4.043 -0.514 -7.196 1.00 34.34 H new ATOM 0 HA LEU A 618 -2.207 1.642 -7.169 1.00 42.54 H new ATOM 0 HB2 LEU A 618 -3.225 -0.323 -5.103 1.00 11.33 H new ATOM 0 HB3 LEU A 618 -2.064 0.925 -4.696 1.00 11.33 H new ATOM 0 HG LEU A 618 -4.191 1.740 -4.057 1.00 44.31 H new ATOM 0 HD11 LEU A 618 -4.488 3.728 -5.481 1.00 64.44 H new ATOM 0 HD12 LEU A 618 -2.769 3.403 -5.153 1.00 64.44 H new ATOM 0 HD13 LEU A 618 -3.469 2.978 -6.733 1.00 64.44 H new ATOM 0 HD21 LEU A 618 -6.110 1.873 -5.596 1.00 30.45 H new ATOM 0 HD22 LEU A 618 -5.154 1.051 -6.852 1.00 30.45 H new ATOM 0 HD23 LEU A 618 -5.576 0.193 -5.351 1.00 30.45 H new ATOM 314 N SER A 619 -0.970 -1.383 -6.710 1.00 24.41 N ATOM 315 CA SER A 619 0.269 -2.155 -6.701 1.00 54.20 C ATOM 316 C SER A 619 1.154 -1.775 -7.884 1.00 41.22 C ATOM 317 O SER A 619 2.359 -1.570 -7.731 1.00 55.12 O ATOM 318 CB SER A 619 -0.039 -3.653 -6.741 1.00 33.32 C ATOM 319 OG SER A 619 -0.363 -4.142 -5.451 1.00 42.42 O ATOM 0 H SER A 619 -1.818 -1.945 -6.641 1.00 24.41 H new ATOM 0 HA SER A 619 0.805 -1.926 -5.780 1.00 54.20 H new ATOM 0 HB2 SER A 619 -0.869 -3.839 -7.423 1.00 33.32 H new ATOM 0 HB3 SER A 619 0.822 -4.194 -7.133 1.00 33.32 H new ATOM 0 HG SER A 619 -1.044 -3.566 -5.044 1.00 42.42 H new ATOM 325 N LEU A 620 0.548 -1.682 -9.062 1.00 40.54 N ATOM 326 CA LEU A 620 1.281 -1.326 -10.273 1.00 53.41 C ATOM 327 C LEU A 620 1.536 0.178 -10.333 1.00 23.44 C ATOM 328 O LEU A 620 2.671 0.617 -10.513 1.00 23.20 O ATOM 329 CB LEU A 620 0.503 -1.772 -11.513 1.00 0.43 C ATOM 330 CG LEU A 620 1.056 -1.300 -12.858 1.00 4.31 C ATOM 331 CD1 LEU A 620 2.182 -2.211 -13.322 1.00 12.51 C ATOM 332 CD2 LEU A 620 -0.051 -1.243 -13.900 1.00 70.01 C ATOM 0 H LEU A 620 -0.448 -1.848 -9.205 1.00 40.54 H new ATOM 0 HA LEU A 620 2.243 -1.839 -10.250 1.00 53.41 H new ATOM 0 HB2 LEU A 620 0.464 -2.861 -11.521 1.00 0.43 H new ATOM 0 HB3 LEU A 620 -0.524 -1.417 -11.420 1.00 0.43 H new ATOM 0 HG LEU A 620 1.459 -0.295 -12.731 1.00 4.31 H new ATOM 0 HD11 LEU A 620 2.563 -1.859 -14.281 1.00 12.51 H new ATOM 0 HD12 LEU A 620 2.986 -2.200 -12.586 1.00 12.51 H new ATOM 0 HD13 LEU A 620 1.805 -3.228 -13.432 1.00 12.51 H new ATOM 0 HD21 LEU A 620 0.361 -0.905 -14.851 1.00 70.01 H new ATOM 0 HD22 LEU A 620 -0.485 -2.235 -14.025 1.00 70.01 H new ATOM 0 HD23 LEU A 620 -0.824 -0.548 -13.572 1.00 70.01 H new ATOM 344 N ASP A 621 0.473 0.960 -10.179 1.00 21.45 N ATOM 345 CA ASP A 621 0.583 2.413 -10.211 1.00 14.45 C ATOM 346 C ASP A 621 1.684 2.897 -9.272 1.00 31.41 C ATOM 347 O ASP A 621 2.655 3.518 -9.706 1.00 52.34 O ATOM 348 CB ASP A 621 -0.751 3.056 -9.827 1.00 22.24 C ATOM 349 CG ASP A 621 -0.763 4.553 -10.065 1.00 31.15 C ATOM 350 OD1 ASP A 621 -0.259 4.988 -11.121 1.00 14.15 O ATOM 351 OD2 ASP A 621 -1.274 5.288 -9.194 1.00 32.12 O ATOM 0 H ASP A 621 -0.474 0.612 -10.031 1.00 21.45 H new ATOM 0 HA ASP A 621 0.841 2.710 -11.227 1.00 14.45 H new ATOM 0 HB2 ASP A 621 -1.553 2.593 -10.403 1.00 22.24 H new ATOM 0 HB3 ASP A 621 -0.957 2.857 -8.775 1.00 22.24 H new ATOM 356 N ILE A 622 1.526 2.608 -7.984 1.00 54.43 N ATOM 357 CA ILE A 622 2.506 3.014 -6.985 1.00 63.33 C ATOM 358 C ILE A 622 3.896 2.496 -7.337 1.00 60.31 C ATOM 359 O ILE A 622 4.899 3.165 -7.095 1.00 71.32 O ATOM 360 CB ILE A 622 2.122 2.508 -5.583 1.00 21.14 C ATOM 361 CG1 ILE A 622 0.764 3.076 -5.165 1.00 50.20 C ATOM 362 CG2 ILE A 622 3.195 2.886 -4.571 1.00 54.04 C ATOM 363 CD1 ILE A 622 0.080 2.275 -4.080 1.00 62.32 C ATOM 0 H ILE A 622 0.729 2.094 -7.609 1.00 54.43 H new ATOM 0 HA ILE A 622 2.518 4.104 -6.979 1.00 63.33 H new ATOM 0 HB ILE A 622 2.046 1.421 -5.614 1.00 21.14 H new ATOM 0 HG12 ILE A 622 0.899 4.100 -4.818 1.00 50.20 H new ATOM 0 HG13 ILE A 622 0.113 3.119 -6.038 1.00 50.20 H new ATOM 0 HG21 ILE A 622 2.909 2.521 -3.584 1.00 54.04 H new ATOM 0 HG22 ILE A 622 4.145 2.437 -4.863 1.00 54.04 H new ATOM 0 HG23 ILE A 622 3.300 3.970 -4.540 1.00 54.04 H new ATOM 0 HD11 ILE A 622 -0.877 2.737 -3.835 1.00 62.32 H new ATOM 0 HD12 ILE A 622 -0.088 1.257 -4.430 1.00 62.32 H new ATOM 0 HD13 ILE A 622 0.711 2.254 -3.191 1.00 62.32 H new ATOM 375 N ASN A 623 3.948 1.298 -7.913 1.00 40.34 N ATOM 376 CA ASN A 623 5.215 0.690 -8.300 1.00 24.23 C ATOM 377 C ASN A 623 5.883 1.489 -9.415 1.00 23.11 C ATOM 378 O ASN A 623 7.097 1.695 -9.405 1.00 62.21 O ATOM 379 CB ASN A 623 4.994 -0.754 -8.755 1.00 30.52 C ATOM 380 CG ASN A 623 6.179 -1.307 -9.521 1.00 24.43 C ATOM 381 OD1 ASN A 623 7.331 -1.096 -9.141 1.00 64.04 O ATOM 382 ND2 ASN A 623 5.902 -2.021 -10.607 1.00 14.40 N ATOM 0 H ASN A 623 3.127 0.730 -8.122 1.00 40.34 H new ATOM 0 HA ASN A 623 5.872 0.693 -7.430 1.00 24.23 H new ATOM 0 HB2 ASN A 623 4.803 -1.381 -7.884 1.00 30.52 H new ATOM 0 HB3 ASN A 623 4.105 -0.802 -9.383 1.00 30.52 H new ATOM 0 HD21 ASN A 623 6.659 -2.419 -11.162 1.00 14.40 H new ATOM 0 HD22 ASN A 623 4.932 -2.171 -10.885 1.00 14.40 H new ATOM 389 N LYS A 624 5.083 1.938 -10.376 1.00 25.42 N ATOM 390 CA LYS A 624 5.595 2.715 -11.498 1.00 10.35 C ATOM 391 C LYS A 624 6.052 4.096 -11.038 1.00 5.40 C ATOM 392 O LYS A 624 6.949 4.695 -11.634 1.00 24.42 O ATOM 393 CB LYS A 624 4.522 2.856 -12.579 1.00 74.30 C ATOM 394 CG LYS A 624 5.033 2.582 -13.983 1.00 65.43 C ATOM 395 CD LYS A 624 4.567 1.227 -14.491 1.00 42.35 C ATOM 396 CE LYS A 624 3.093 1.251 -14.866 1.00 64.44 C ATOM 397 NZ LYS A 624 2.890 1.051 -16.328 1.00 51.34 N ATOM 0 H LYS A 624 4.076 1.777 -10.400 1.00 25.42 H new ATOM 0 HA LYS A 624 6.453 2.186 -11.913 1.00 10.35 H new ATOM 0 HB2 LYS A 624 3.704 2.170 -12.359 1.00 74.30 H new ATOM 0 HB3 LYS A 624 4.111 3.865 -12.542 1.00 74.30 H new ATOM 0 HG2 LYS A 624 4.684 3.364 -14.657 1.00 65.43 H new ATOM 0 HG3 LYS A 624 6.122 2.619 -13.988 1.00 65.43 H new ATOM 0 HD2 LYS A 624 5.160 0.939 -15.359 1.00 42.35 H new ATOM 0 HD3 LYS A 624 4.736 0.471 -13.724 1.00 42.35 H new ATOM 0 HE2 LYS A 624 2.565 0.472 -14.316 1.00 64.44 H new ATOM 0 HE3 LYS A 624 2.657 2.204 -14.566 1.00 64.44 H new ATOM 0 HZ1 LYS A 624 1.873 1.074 -16.544 1.00 51.34 H new ATOM 0 HZ2 LYS A 624 3.372 1.809 -16.852 1.00 51.34 H new ATOM 0 HZ3 LYS A 624 3.283 0.131 -16.610 1.00 51.34 H new ATOM 411 N LEU A 625 5.432 4.597 -9.976 1.00 23.14 N ATOM 412 CA LEU A 625 5.777 5.907 -9.435 1.00 52.11 C ATOM 413 C LEU A 625 7.141 5.873 -8.754 1.00 65.14 C ATOM 414 O LEU A 625 7.666 4.813 -8.412 1.00 44.53 O ATOM 415 CB LEU A 625 4.710 6.367 -8.441 1.00 2.03 C ATOM 416 CG LEU A 625 3.627 7.290 -8.998 1.00 55.31 C ATOM 417 CD1 LEU A 625 3.007 6.691 -10.251 1.00 22.42 C ATOM 418 CD2 LEU A 625 2.558 7.555 -7.947 1.00 30.02 C ATOM 0 H LEU A 625 4.687 4.116 -9.472 1.00 23.14 H new ATOM 0 HA LEU A 625 5.822 6.614 -10.263 1.00 52.11 H new ATOM 0 HB2 LEU A 625 4.227 5.484 -8.023 1.00 2.03 H new ATOM 0 HB3 LEU A 625 5.207 6.879 -7.617 1.00 2.03 H new ATOM 0 HG LEU A 625 4.090 8.240 -9.265 1.00 55.31 H new ATOM 0 HD11 LEU A 625 2.238 7.362 -10.633 1.00 22.42 H new ATOM 0 HD12 LEU A 625 3.778 6.554 -11.009 1.00 22.42 H new ATOM 0 HD13 LEU A 625 2.560 5.727 -10.010 1.00 22.42 H new ATOM 0 HD21 LEU A 625 1.795 8.214 -8.362 1.00 30.02 H new ATOM 0 HD22 LEU A 625 2.100 6.612 -7.649 1.00 30.02 H new ATOM 0 HD23 LEU A 625 3.013 8.029 -7.077 1.00 30.02 H new ATOM 430 N PRO A 626 7.732 7.060 -8.552 1.00 54.41 N ATOM 431 CA PRO A 626 9.041 7.194 -7.908 1.00 44.53 C ATOM 432 C PRO A 626 8.995 6.853 -6.422 1.00 53.20 C ATOM 433 O PRO A 626 7.923 6.803 -5.820 1.00 65.32 O ATOM 434 CB PRO A 626 9.386 8.673 -8.107 1.00 21.54 C ATOM 435 CG PRO A 626 8.068 9.352 -8.250 1.00 23.04 C ATOM 436 CD PRO A 626 7.165 8.365 -8.935 1.00 31.32 C ATOM 0 HA PRO A 626 9.775 6.510 -8.333 1.00 44.53 H new ATOM 0 HB2 PRO A 626 9.945 9.067 -7.258 1.00 21.54 H new ATOM 0 HB3 PRO A 626 10.005 8.820 -8.992 1.00 21.54 H new ATOM 0 HG2 PRO A 626 7.668 9.636 -7.277 1.00 23.04 H new ATOM 0 HG3 PRO A 626 8.162 10.267 -8.836 1.00 23.04 H new ATOM 0 HD2 PRO A 626 6.132 8.467 -8.602 1.00 31.32 H new ATOM 0 HD3 PRO A 626 7.167 8.502 -10.016 1.00 31.32 H new ATOM 444 N GLY A 627 10.165 6.620 -5.837 1.00 5.54 N ATOM 445 CA GLY A 627 10.236 6.288 -4.426 1.00 34.43 C ATOM 446 C GLY A 627 9.495 7.285 -3.557 1.00 31.43 C ATOM 447 O GLY A 627 8.844 6.907 -2.583 1.00 42.05 O ATOM 0 H GLY A 627 11.066 6.655 -6.315 1.00 5.54 H new ATOM 0 HA2 GLY A 627 9.819 5.293 -4.269 1.00 34.43 H new ATOM 0 HA3 GLY A 627 11.281 6.248 -4.118 1.00 34.43 H new ATOM 451 N GLU A 628 9.595 8.563 -3.909 1.00 21.22 N ATOM 452 CA GLU A 628 8.931 9.618 -3.152 1.00 72.03 C ATOM 453 C GLU A 628 7.461 9.277 -2.919 1.00 2.12 C ATOM 454 O GLU A 628 6.915 9.534 -1.847 1.00 12.43 O ATOM 455 CB GLU A 628 9.045 10.954 -3.888 1.00 71.21 C ATOM 456 CG GLU A 628 8.499 12.132 -3.100 1.00 1.20 C ATOM 457 CD GLU A 628 9.537 12.758 -2.189 1.00 63.41 C ATOM 458 OE1 GLU A 628 10.645 12.191 -2.078 1.00 3.33 O ATOM 459 OE2 GLU A 628 9.243 13.812 -1.588 1.00 62.41 O ATOM 0 H GLU A 628 10.129 8.893 -4.713 1.00 21.22 H new ATOM 0 HA GLU A 628 9.425 9.702 -2.184 1.00 72.03 H new ATOM 0 HB2 GLU A 628 10.093 11.140 -4.125 1.00 71.21 H new ATOM 0 HB3 GLU A 628 8.512 10.883 -4.836 1.00 71.21 H new ATOM 0 HG2 GLU A 628 8.127 12.887 -3.793 1.00 1.20 H new ATOM 0 HG3 GLU A 628 7.649 11.802 -2.503 1.00 1.20 H new ATOM 466 N LYS A 629 6.827 8.697 -3.932 1.00 62.22 N ATOM 467 CA LYS A 629 5.422 8.319 -3.840 1.00 12.05 C ATOM 468 C LYS A 629 5.239 7.126 -2.907 1.00 14.40 C ATOM 469 O LYS A 629 4.338 7.116 -2.067 1.00 74.41 O ATOM 470 CB LYS A 629 4.871 7.983 -5.227 1.00 40.40 C ATOM 471 CG LYS A 629 4.976 9.131 -6.218 1.00 71.11 C ATOM 472 CD LYS A 629 4.037 10.269 -5.854 1.00 63.22 C ATOM 473 CE LYS A 629 4.806 11.511 -5.429 1.00 42.53 C ATOM 474 NZ LYS A 629 4.932 11.606 -3.949 1.00 21.12 N ATOM 0 H LYS A 629 7.264 8.478 -4.827 1.00 62.22 H new ATOM 0 HA LYS A 629 4.870 9.166 -3.431 1.00 12.05 H new ATOM 0 HB2 LYS A 629 5.408 7.122 -5.623 1.00 40.40 H new ATOM 0 HB3 LYS A 629 3.825 7.690 -5.132 1.00 40.40 H new ATOM 0 HG2 LYS A 629 6.002 9.498 -6.243 1.00 71.11 H new ATOM 0 HG3 LYS A 629 4.742 8.771 -7.220 1.00 71.11 H new ATOM 0 HD2 LYS A 629 3.403 10.507 -6.708 1.00 63.22 H new ATOM 0 HD3 LYS A 629 3.377 9.954 -5.046 1.00 63.22 H new ATOM 0 HE2 LYS A 629 5.799 11.494 -5.878 1.00 42.53 H new ATOM 0 HE3 LYS A 629 4.300 12.399 -5.808 1.00 42.53 H new ATOM 0 HZ1 LYS A 629 4.924 12.606 -3.663 1.00 21.12 H new ATOM 0 HZ2 LYS A 629 4.135 11.112 -3.500 1.00 21.12 H new ATOM 0 HZ3 LYS A 629 5.825 11.167 -3.648 1.00 21.12 H new ATOM 488 N LEU A 630 6.099 6.126 -3.058 1.00 12.45 N ATOM 489 CA LEU A 630 6.033 4.929 -2.226 1.00 62.33 C ATOM 490 C LEU A 630 6.276 5.270 -0.760 1.00 74.21 C ATOM 491 O LEU A 630 5.445 4.983 0.101 1.00 73.01 O ATOM 492 CB LEU A 630 7.061 3.899 -2.699 1.00 72.01 C ATOM 493 CG LEU A 630 6.613 2.438 -2.662 1.00 35.45 C ATOM 494 CD1 LEU A 630 6.402 1.908 -4.071 1.00 71.11 C ATOM 495 CD2 LEU A 630 7.630 1.586 -1.916 1.00 62.45 C ATOM 0 H LEU A 630 6.850 6.119 -3.748 1.00 12.45 H new ATOM 0 HA LEU A 630 5.033 4.506 -2.320 1.00 62.33 H new ATOM 0 HB2 LEU A 630 7.348 4.144 -3.722 1.00 72.01 H new ATOM 0 HB3 LEU A 630 7.956 4.000 -2.084 1.00 72.01 H new ATOM 0 HG LEU A 630 5.663 2.383 -2.130 1.00 35.45 H new ATOM 0 HD11 LEU A 630 6.083 0.867 -4.024 1.00 71.11 H new ATOM 0 HD12 LEU A 630 5.636 2.500 -4.571 1.00 71.11 H new ATOM 0 HD13 LEU A 630 7.336 1.977 -4.629 1.00 71.11 H new ATOM 0 HD21 LEU A 630 7.294 0.549 -1.900 1.00 62.45 H new ATOM 0 HD22 LEU A 630 8.595 1.647 -2.419 1.00 62.45 H new ATOM 0 HD23 LEU A 630 7.730 1.951 -0.894 1.00 62.45 H new ATOM 507 N GLY A 631 7.421 5.886 -0.482 1.00 31.24 N ATOM 508 CA GLY A 631 7.752 6.258 0.881 1.00 32.43 C ATOM 509 C GLY A 631 6.587 6.903 1.605 1.00 43.33 C ATOM 510 O GLY A 631 6.415 6.718 2.810 1.00 63.55 O ATOM 0 H GLY A 631 8.125 6.134 -1.177 1.00 31.24 H new ATOM 0 HA2 GLY A 631 8.070 5.371 1.429 1.00 32.43 H new ATOM 0 HA3 GLY A 631 8.596 6.947 0.871 1.00 32.43 H new ATOM 514 N ARG A 632 5.785 7.667 0.869 1.00 71.05 N ATOM 515 CA ARG A 632 4.632 8.345 1.449 1.00 60.35 C ATOM 516 C ARG A 632 3.501 7.358 1.720 1.00 40.33 C ATOM 517 O ARG A 632 2.942 7.323 2.816 1.00 24.11 O ATOM 518 CB ARG A 632 4.144 9.454 0.515 1.00 42.00 C ATOM 519 CG ARG A 632 4.521 10.851 0.980 1.00 44.12 C ATOM 520 CD ARG A 632 4.730 11.792 -0.197 1.00 24.21 C ATOM 521 NE ARG A 632 5.440 13.007 0.194 1.00 11.32 N ATOM 522 CZ ARG A 632 6.738 13.041 0.475 1.00 2.44 C ATOM 523 NH1 ARG A 632 7.463 11.934 0.411 1.00 24.23 N ATOM 524 NH2 ARG A 632 7.312 14.186 0.823 1.00 10.41 N ATOM 0 H ARG A 632 5.913 7.832 -0.129 1.00 71.05 H new ATOM 0 HA ARG A 632 4.940 8.787 2.397 1.00 60.35 H new ATOM 0 HB2 ARG A 632 4.557 9.288 -0.480 1.00 42.00 H new ATOM 0 HB3 ARG A 632 3.060 9.390 0.425 1.00 42.00 H new ATOM 0 HG2 ARG A 632 3.737 11.244 1.627 1.00 44.12 H new ATOM 0 HG3 ARG A 632 5.432 10.804 1.576 1.00 44.12 H new ATOM 0 HD2 ARG A 632 5.292 11.278 -0.977 1.00 24.21 H new ATOM 0 HD3 ARG A 632 3.763 12.058 -0.624 1.00 24.21 H new ATOM 0 HE ARG A 632 4.910 13.877 0.255 1.00 11.32 H new ATOM 0 HH11 ARG A 632 7.025 11.052 0.145 1.00 24.23 H new ATOM 0 HH12 ARG A 632 8.459 11.964 0.627 1.00 24.23 H new ATOM 0 HH21 ARG A 632 6.757 15.040 0.875 1.00 10.41 H new ATOM 0 HH22 ARG A 632 8.309 14.212 1.039 1.00 10.41 H new ATOM 538 N VAL A 633 3.166 6.558 0.712 1.00 33.45 N ATOM 539 CA VAL A 633 2.102 5.570 0.841 1.00 14.14 C ATOM 540 C VAL A 633 2.497 4.460 1.808 1.00 31.32 C ATOM 541 O VAL A 633 1.821 4.222 2.809 1.00 72.14 O ATOM 542 CB VAL A 633 1.746 4.948 -0.521 1.00 70.52 C ATOM 543 CG1 VAL A 633 0.511 4.067 -0.401 1.00 3.34 C ATOM 544 CG2 VAL A 633 1.535 6.034 -1.565 1.00 11.13 C ATOM 0 H VAL A 633 3.617 6.575 -0.203 1.00 33.45 H new ATOM 0 HA VAL A 633 1.229 6.094 1.231 1.00 14.14 H new ATOM 0 HB VAL A 633 2.579 4.323 -0.843 1.00 70.52 H new ATOM 0 HG11 VAL A 633 0.275 3.636 -1.374 1.00 3.34 H new ATOM 0 HG12 VAL A 633 0.703 3.266 0.313 1.00 3.34 H new ATOM 0 HG13 VAL A 633 -0.331 4.666 -0.056 1.00 3.34 H new ATOM 0 HG21 VAL A 633 1.284 5.575 -2.521 1.00 11.13 H new ATOM 0 HG22 VAL A 633 0.721 6.687 -1.251 1.00 11.13 H new ATOM 0 HG23 VAL A 633 2.449 6.619 -1.672 1.00 11.13 H new ATOM 554 N VAL A 634 3.599 3.780 1.502 1.00 34.02 N ATOM 555 CA VAL A 634 4.086 2.695 2.344 1.00 31.41 C ATOM 556 C VAL A 634 4.159 3.124 3.805 1.00 62.20 C ATOM 557 O VAL A 634 3.979 2.310 4.712 1.00 3.13 O ATOM 558 CB VAL A 634 5.478 2.214 1.891 1.00 74.45 C ATOM 559 CG1 VAL A 634 5.461 1.849 0.415 1.00 25.50 C ATOM 560 CG2 VAL A 634 6.527 3.279 2.174 1.00 54.24 C ATOM 0 H VAL A 634 4.170 3.962 0.677 1.00 34.02 H new ATOM 0 HA VAL A 634 3.376 1.874 2.244 1.00 31.41 H new ATOM 0 HB VAL A 634 5.738 1.321 2.459 1.00 74.45 H new ATOM 0 HG11 VAL A 634 6.452 1.511 0.112 1.00 25.50 H new ATOM 0 HG12 VAL A 634 4.738 1.051 0.246 1.00 25.50 H new ATOM 0 HG13 VAL A 634 5.180 2.723 -0.173 1.00 25.50 H new ATOM 0 HG21 VAL A 634 7.504 2.923 1.848 1.00 54.24 H new ATOM 0 HG22 VAL A 634 6.274 4.191 1.634 1.00 54.24 H new ATOM 0 HG23 VAL A 634 6.555 3.487 3.244 1.00 54.24 H new ATOM 570 N HIS A 635 4.425 4.407 4.027 1.00 33.45 N ATOM 571 CA HIS A 635 4.521 4.945 5.379 1.00 12.05 C ATOM 572 C HIS A 635 3.160 4.926 6.070 1.00 23.14 C ATOM 573 O HIS A 635 3.068 4.677 7.273 1.00 71.31 O ATOM 574 CB HIS A 635 5.069 6.372 5.345 1.00 22.13 C ATOM 575 CG HIS A 635 4.987 7.077 6.665 1.00 65.21 C ATOM 576 ND1 HIS A 635 4.013 8.005 6.963 1.00 2.01 N ATOM 577 CD2 HIS A 635 5.767 6.982 7.768 1.00 55.05 C ATOM 578 CE1 HIS A 635 4.197 8.453 8.193 1.00 55.33 C ATOM 579 NE2 HIS A 635 5.254 7.848 8.703 1.00 62.42 N ATOM 0 H HIS A 635 4.578 5.093 3.288 1.00 33.45 H new ATOM 0 HA HIS A 635 5.205 4.314 5.946 1.00 12.05 H new ATOM 0 HB2 HIS A 635 6.109 6.345 5.021 1.00 22.13 H new ATOM 0 HB3 HIS A 635 4.518 6.947 4.601 1.00 22.13 H new ATOM 0 HD2 HIS A 635 6.630 6.345 7.890 1.00 55.05 H new ATOM 0 HE1 HIS A 635 3.587 9.189 8.695 1.00 55.33 H new ATOM 0 HE2 HIS A 635 5.629 7.999 9.639 1.00 62.42 H new ATOM 587 N ILE A 636 2.109 5.191 5.302 1.00 22.03 N ATOM 588 CA ILE A 636 0.755 5.204 5.841 1.00 21.24 C ATOM 589 C ILE A 636 0.378 3.842 6.412 1.00 33.12 C ATOM 590 O ILE A 636 -0.382 3.750 7.377 1.00 53.31 O ATOM 591 CB ILE A 636 -0.275 5.601 4.767 1.00 61.34 C ATOM 592 CG1 ILE A 636 0.275 6.733 3.896 1.00 32.10 C ATOM 593 CG2 ILE A 636 -1.587 6.014 5.417 1.00 64.11 C ATOM 594 CD1 ILE A 636 -0.798 7.507 3.164 1.00 15.23 C ATOM 0 H ILE A 636 2.169 5.399 4.305 1.00 22.03 H new ATOM 0 HA ILE A 636 0.740 5.947 6.639 1.00 21.24 H new ATOM 0 HB ILE A 636 -0.465 4.737 4.130 1.00 61.34 H new ATOM 0 HG12 ILE A 636 0.843 7.420 4.523 1.00 32.10 H new ATOM 0 HG13 ILE A 636 0.971 6.316 3.168 1.00 32.10 H new ATOM 0 HG21 ILE A 636 -2.304 6.292 4.645 1.00 64.11 H new ATOM 0 HG22 ILE A 636 -1.983 5.181 5.998 1.00 64.11 H new ATOM 0 HG23 ILE A 636 -1.415 6.866 6.075 1.00 64.11 H new ATOM 0 HD11 ILE A 636 -0.336 8.293 2.567 1.00 15.23 H new ATOM 0 HD12 ILE A 636 -1.351 6.833 2.511 1.00 15.23 H new ATOM 0 HD13 ILE A 636 -1.481 7.954 3.886 1.00 15.23 H new ATOM 606 N ILE A 637 0.914 2.786 5.812 1.00 71.55 N ATOM 607 CA ILE A 637 0.636 1.427 6.262 1.00 70.22 C ATOM 608 C ILE A 637 1.275 1.157 7.620 1.00 34.10 C ATOM 609 O ILE A 637 0.632 0.624 8.523 1.00 31.25 O ATOM 610 CB ILE A 637 1.145 0.383 5.251 1.00 23.31 C ATOM 611 CG1 ILE A 637 0.312 0.434 3.969 1.00 1.01 C ATOM 612 CG2 ILE A 637 1.103 -1.010 5.862 1.00 54.03 C ATOM 613 CD1 ILE A 637 0.658 1.601 3.069 1.00 32.44 C ATOM 0 H ILE A 637 1.544 2.844 5.012 1.00 71.55 H new ATOM 0 HA ILE A 637 -0.447 1.338 6.348 1.00 70.22 H new ATOM 0 HB ILE A 637 2.179 0.617 4.999 1.00 23.31 H new ATOM 0 HG12 ILE A 637 0.453 -0.495 3.416 1.00 1.01 H new ATOM 0 HG13 ILE A 637 -0.744 0.490 4.233 1.00 1.01 H new ATOM 0 HG21 ILE A 637 1.466 -1.737 5.135 1.00 54.03 H new ATOM 0 HG22 ILE A 637 1.735 -1.037 6.749 1.00 54.03 H new ATOM 0 HG23 ILE A 637 0.078 -1.255 6.139 1.00 54.03 H new ATOM 0 HD11 ILE A 637 0.029 1.574 2.180 1.00 32.44 H new ATOM 0 HD12 ILE A 637 0.490 2.536 3.604 1.00 32.44 H new ATOM 0 HD13 ILE A 637 1.705 1.535 2.774 1.00 32.44 H new ATOM 625 N GLN A 638 2.543 1.530 7.755 1.00 5.54 N ATOM 626 CA GLN A 638 3.268 1.329 9.004 1.00 3.13 C ATOM 627 C GLN A 638 2.780 2.294 10.080 1.00 53.15 C ATOM 628 O GLN A 638 3.061 2.113 11.264 1.00 23.33 O ATOM 629 CB GLN A 638 4.771 1.514 8.782 1.00 51.40 C ATOM 630 CG GLN A 638 5.123 2.796 8.045 1.00 52.11 C ATOM 631 CD GLN A 638 6.618 3.039 7.979 1.00 51.02 C ATOM 632 OE1 GLN A 638 7.245 3.397 8.975 1.00 1.33 O ATOM 633 NE2 GLN A 638 7.198 2.844 6.800 1.00 70.21 N ATOM 0 H GLN A 638 3.089 1.973 7.016 1.00 5.54 H new ATOM 0 HA GLN A 638 3.080 0.310 9.343 1.00 3.13 H new ATOM 0 HB2 GLN A 638 5.276 1.510 9.748 1.00 51.40 H new ATOM 0 HB3 GLN A 638 5.154 0.663 8.218 1.00 51.40 H new ATOM 0 HG2 GLN A 638 4.721 2.751 7.033 1.00 52.11 H new ATOM 0 HG3 GLN A 638 4.643 3.639 8.541 1.00 52.11 H new ATOM 0 HE21 GLN A 638 6.640 2.547 6.000 1.00 70.21 H new ATOM 0 HE22 GLN A 638 8.202 2.991 6.695 1.00 70.21 H new ATOM 642 N SER A 639 2.045 3.319 9.659 1.00 62.32 N ATOM 643 CA SER A 639 1.520 4.314 10.586 1.00 44.31 C ATOM 644 C SER A 639 0.085 3.984 10.982 1.00 41.43 C ATOM 645 O SER A 639 -0.328 4.223 12.117 1.00 42.54 O ATOM 646 CB SER A 639 1.581 5.709 9.957 1.00 33.43 C ATOM 647 OG SER A 639 0.611 6.568 10.529 1.00 35.44 O ATOM 0 H SER A 639 1.800 3.482 8.682 1.00 62.32 H new ATOM 0 HA SER A 639 2.138 4.300 11.484 1.00 44.31 H new ATOM 0 HB2 SER A 639 2.575 6.132 10.099 1.00 33.43 H new ATOM 0 HB3 SER A 639 1.417 5.634 8.882 1.00 33.43 H new ATOM 0 HG SER A 639 0.671 7.453 10.112 1.00 35.44 H new ATOM 653 N ARG A 640 -0.672 3.434 10.037 1.00 3.11 N ATOM 654 CA ARG A 640 -2.062 3.072 10.285 1.00 23.21 C ATOM 655 C ARG A 640 -2.163 1.655 10.843 1.00 65.00 C ATOM 656 O ARG A 640 -3.042 1.358 11.651 1.00 1.53 O ATOM 657 CB ARG A 640 -2.878 3.184 8.997 1.00 4.52 C ATOM 658 CG ARG A 640 -3.252 4.612 8.635 1.00 42.24 C ATOM 659 CD ARG A 640 -4.467 5.085 9.417 1.00 34.52 C ATOM 660 NE ARG A 640 -4.139 6.169 10.338 1.00 50.33 N ATOM 661 CZ ARG A 640 -4.016 7.439 9.964 1.00 23.04 C ATOM 662 NH1 ARG A 640 -4.195 7.780 8.695 1.00 33.14 N ATOM 663 NH2 ARG A 640 -3.714 8.369 10.860 1.00 35.24 N ATOM 0 H ARG A 640 -0.345 3.230 9.093 1.00 3.11 H new ATOM 0 HA ARG A 640 -2.466 3.765 11.024 1.00 23.21 H new ATOM 0 HB2 ARG A 640 -2.308 2.748 8.177 1.00 4.52 H new ATOM 0 HB3 ARG A 640 -3.789 2.594 9.101 1.00 4.52 H new ATOM 0 HG2 ARG A 640 -2.409 5.272 8.837 1.00 42.24 H new ATOM 0 HG3 ARG A 640 -3.458 4.676 7.567 1.00 42.24 H new ATOM 0 HD2 ARG A 640 -5.237 5.421 8.722 1.00 34.52 H new ATOM 0 HD3 ARG A 640 -4.886 4.249 9.977 1.00 34.52 H new ATOM 0 HE ARG A 640 -3.996 5.940 11.322 1.00 50.33 H new ATOM 0 HH11 ARG A 640 -4.428 7.067 8.003 1.00 33.14 H new ATOM 0 HH12 ARG A 640 -4.100 8.755 8.411 1.00 33.14 H new ATOM 0 HH21 ARG A 640 -3.576 8.110 11.837 1.00 35.24 H new ATOM 0 HH22 ARG A 640 -3.620 9.343 10.572 1.00 35.24 H new ATOM 677 N GLU A 641 -1.257 0.786 10.405 1.00 14.54 N ATOM 678 CA GLU A 641 -1.247 -0.599 10.860 1.00 24.13 C ATOM 679 C GLU A 641 -0.314 -0.772 12.056 1.00 31.13 C ATOM 680 O GLU A 641 0.888 -0.515 11.980 1.00 1.44 O ATOM 681 CB GLU A 641 -0.815 -1.528 9.724 1.00 30.52 C ATOM 682 CG GLU A 641 -1.084 -2.998 10.005 1.00 3.21 C ATOM 683 CD GLU A 641 -1.914 -3.656 8.919 1.00 13.52 C ATOM 684 OE1 GLU A 641 -3.151 -3.483 8.933 1.00 52.25 O ATOM 685 OE2 GLU A 641 -1.327 -4.344 8.058 1.00 31.02 O ATOM 0 H GLU A 641 -0.522 1.016 9.737 1.00 14.54 H new ATOM 0 HA GLU A 641 -2.259 -0.861 11.170 1.00 24.13 H new ATOM 0 HB2 GLU A 641 -1.337 -1.240 8.812 1.00 30.52 H new ATOM 0 HB3 GLU A 641 0.250 -1.391 9.539 1.00 30.52 H new ATOM 0 HG2 GLU A 641 -0.135 -3.525 10.102 1.00 3.21 H new ATOM 0 HG3 GLU A 641 -1.601 -3.093 10.960 1.00 3.21 H new ATOM 797 N PRO A 649 12.029 -0.081 9.690 1.00 11.31 N ATOM 798 CA PRO A 649 11.191 0.634 8.723 1.00 64.13 C ATOM 799 C PRO A 649 11.624 0.382 7.283 1.00 14.30 C ATOM 800 O PRO A 649 10.920 0.746 6.340 1.00 22.11 O ATOM 801 CB PRO A 649 11.398 2.105 9.094 1.00 2.33 C ATOM 802 CG PRO A 649 12.733 2.145 9.754 1.00 42.21 C ATOM 803 CD PRO A 649 12.880 0.832 10.471 1.00 12.44 C ATOM 0 HA PRO A 649 10.151 0.311 8.768 1.00 64.13 H new ATOM 0 HB2 PRO A 649 11.374 2.743 8.211 1.00 2.33 H new ATOM 0 HB3 PRO A 649 10.614 2.458 9.764 1.00 2.33 H new ATOM 0 HG2 PRO A 649 13.527 2.280 9.020 1.00 42.21 H new ATOM 0 HG3 PRO A 649 12.799 2.980 10.452 1.00 42.21 H new ATOM 0 HD2 PRO A 649 13.917 0.498 10.489 1.00 12.44 H new ATOM 0 HD3 PRO A 649 12.550 0.901 11.507 1.00 12.44 H new ATOM 811 N ASP A 650 12.785 -0.242 7.120 1.00 21.42 N ATOM 812 CA ASP A 650 13.310 -0.545 5.794 1.00 44.24 C ATOM 813 C ASP A 650 12.569 -1.723 5.170 1.00 53.11 C ATOM 814 O ASP A 650 12.804 -2.074 4.015 1.00 30.50 O ATOM 815 CB ASP A 650 14.807 -0.852 5.872 1.00 21.04 C ATOM 816 CG ASP A 650 15.150 -2.212 5.296 1.00 45.23 C ATOM 817 OD1 ASP A 650 15.376 -2.295 4.070 1.00 11.34 O ATOM 818 OD2 ASP A 650 15.193 -3.191 6.069 1.00 71.22 O ATOM 0 H ASP A 650 13.381 -0.548 7.890 1.00 21.42 H new ATOM 0 HA ASP A 650 13.158 0.331 5.163 1.00 44.24 H new ATOM 0 HB2 ASP A 650 15.361 -0.083 5.334 1.00 21.04 H new ATOM 0 HB3 ASP A 650 15.130 -0.809 6.912 1.00 21.04 H new ATOM 823 N GLU A 651 11.674 -2.329 5.945 1.00 23.20 N ATOM 824 CA GLU A 651 10.900 -3.469 5.468 1.00 20.33 C ATOM 825 C GLU A 651 9.431 -3.330 5.858 1.00 70.34 C ATOM 826 O GLU A 651 9.109 -3.026 7.006 1.00 20.32 O ATOM 827 CB GLU A 651 11.468 -4.772 6.034 1.00 30.45 C ATOM 828 CG GLU A 651 10.871 -6.021 5.407 1.00 50.21 C ATOM 829 CD GLU A 651 10.239 -6.944 6.431 1.00 45.42 C ATOM 830 OE1 GLU A 651 10.775 -7.038 7.555 1.00 2.30 O ATOM 831 OE2 GLU A 651 9.209 -7.571 6.109 1.00 10.20 O ATOM 0 H GLU A 651 11.468 -2.050 6.904 1.00 23.20 H new ATOM 0 HA GLU A 651 10.969 -3.493 4.380 1.00 20.33 H new ATOM 0 HB2 GLU A 651 12.548 -4.782 5.886 1.00 30.45 H new ATOM 0 HB3 GLU A 651 11.294 -4.797 7.110 1.00 30.45 H new ATOM 0 HG2 GLU A 651 10.120 -5.731 4.673 1.00 50.21 H new ATOM 0 HG3 GLU A 651 11.650 -6.561 4.869 1.00 50.21 H new ATOM 838 N ILE A 652 8.546 -3.555 4.892 1.00 43.10 N ATOM 839 CA ILE A 652 7.112 -3.455 5.133 1.00 24.31 C ATOM 840 C ILE A 652 6.350 -4.533 4.369 1.00 3.53 C ATOM 841 O ILE A 652 6.715 -4.888 3.249 1.00 22.31 O ATOM 842 CB ILE A 652 6.568 -2.072 4.729 1.00 54.44 C ATOM 843 CG1 ILE A 652 5.753 -1.467 5.873 1.00 51.44 C ATOM 844 CG2 ILE A 652 5.722 -2.184 3.469 1.00 12.44 C ATOM 845 CD1 ILE A 652 5.058 -0.174 5.502 1.00 22.31 C ATOM 0 H ILE A 652 8.797 -3.808 3.936 1.00 43.10 H new ATOM 0 HA ILE A 652 6.961 -3.596 6.203 1.00 24.31 H new ATOM 0 HB ILE A 652 7.410 -1.412 4.520 1.00 54.44 H new ATOM 0 HG12 ILE A 652 5.006 -2.191 6.199 1.00 51.44 H new ATOM 0 HG13 ILE A 652 6.412 -1.285 6.722 1.00 51.44 H new ATOM 0 HG21 ILE A 652 5.344 -1.199 3.196 1.00 12.44 H new ATOM 0 HG22 ILE A 652 6.331 -2.578 2.655 1.00 12.44 H new ATOM 0 HG23 ILE A 652 4.884 -2.856 3.652 1.00 12.44 H new ATOM 0 HD11 ILE A 652 4.499 0.198 6.361 1.00 22.31 H new ATOM 0 HD12 ILE A 652 5.801 0.566 5.204 1.00 22.31 H new ATOM 0 HD13 ILE A 652 4.373 -0.354 4.674 1.00 22.31 H new ATOM 857 N GLU A 653 5.288 -5.046 4.981 1.00 11.54 N ATOM 858 CA GLU A 653 4.474 -6.082 4.358 1.00 63.24 C ATOM 859 C GLU A 653 3.032 -5.611 4.186 1.00 25.44 C ATOM 860 O GLU A 653 2.231 -5.677 5.120 1.00 44.13 O ATOM 861 CB GLU A 653 4.508 -7.362 5.195 1.00 12.11 C ATOM 862 CG GLU A 653 4.478 -8.634 4.365 1.00 42.25 C ATOM 863 CD GLU A 653 5.669 -9.534 4.635 1.00 61.14 C ATOM 864 OE1 GLU A 653 6.164 -9.534 5.781 1.00 61.32 O ATOM 865 OE2 GLU A 653 6.105 -10.238 3.700 1.00 54.31 O ATOM 0 H GLU A 653 4.971 -4.761 5.908 1.00 11.54 H new ATOM 0 HA GLU A 653 4.890 -6.291 3.372 1.00 63.24 H new ATOM 0 HB2 GLU A 653 5.408 -7.360 5.809 1.00 12.11 H new ATOM 0 HB3 GLU A 653 3.657 -7.363 5.876 1.00 12.11 H new ATOM 0 HG2 GLU A 653 3.559 -9.180 4.577 1.00 42.25 H new ATOM 0 HG3 GLU A 653 4.457 -8.373 3.307 1.00 42.25 H new ATOM 872 N ILE A 654 2.710 -5.137 2.988 1.00 53.50 N ATOM 873 CA ILE A 654 1.366 -4.656 2.693 1.00 54.40 C ATOM 874 C ILE A 654 0.487 -5.777 2.152 1.00 75.24 C ATOM 875 O ILE A 654 0.671 -6.235 1.023 1.00 54.22 O ATOM 876 CB ILE A 654 1.392 -3.502 1.674 1.00 43.41 C ATOM 877 CG1 ILE A 654 2.178 -2.315 2.235 1.00 3.52 C ATOM 878 CG2 ILE A 654 -0.025 -3.082 1.313 1.00 13.32 C ATOM 879 CD1 ILE A 654 2.160 -1.098 1.336 1.00 70.33 C ATOM 0 H ILE A 654 3.361 -5.076 2.205 1.00 53.50 H new ATOM 0 HA ILE A 654 0.949 -4.292 3.632 1.00 54.40 H new ATOM 0 HB ILE A 654 1.890 -3.848 0.768 1.00 43.41 H new ATOM 0 HG12 ILE A 654 1.766 -2.044 3.207 1.00 3.52 H new ATOM 0 HG13 ILE A 654 3.212 -2.619 2.400 1.00 3.52 H new ATOM 0 HG21 ILE A 654 0.010 -2.265 0.592 1.00 13.32 H new ATOM 0 HG22 ILE A 654 -0.556 -3.929 0.877 1.00 13.32 H new ATOM 0 HG23 ILE A 654 -0.546 -2.751 2.211 1.00 13.32 H new ATOM 0 HD11 ILE A 654 2.737 -0.296 1.797 1.00 70.33 H new ATOM 0 HD12 ILE A 654 2.599 -1.352 0.371 1.00 70.33 H new ATOM 0 HD13 ILE A 654 1.131 -0.768 1.191 1.00 70.33 H new ATOM 891 N ASP A 655 -0.470 -6.216 2.962 1.00 65.30 N ATOM 892 CA ASP A 655 -1.380 -7.283 2.563 1.00 21.03 C ATOM 893 C ASP A 655 -2.832 -6.830 2.679 1.00 11.54 C ATOM 894 O ASP A 655 -3.389 -6.769 3.776 1.00 55.03 O ATOM 895 CB ASP A 655 -1.150 -8.527 3.423 1.00 14.15 C ATOM 896 CG ASP A 655 0.146 -8.459 4.206 1.00 43.32 C ATOM 897 OD1 ASP A 655 0.214 -7.673 5.174 1.00 42.24 O ATOM 898 OD2 ASP A 655 1.093 -9.191 3.849 1.00 3.33 O ATOM 0 H ASP A 655 -0.636 -5.849 3.899 1.00 65.30 H new ATOM 0 HA ASP A 655 -1.177 -7.529 1.521 1.00 21.03 H new ATOM 0 HB2 ASP A 655 -1.983 -8.645 4.115 1.00 14.15 H new ATOM 0 HB3 ASP A 655 -1.139 -9.410 2.784 1.00 14.15 H new ATOM 903 N PHE A 656 -3.440 -6.512 1.541 1.00 43.41 N ATOM 904 CA PHE A 656 -4.826 -6.061 1.514 1.00 32.33 C ATOM 905 C PHE A 656 -5.761 -7.149 2.037 1.00 34.11 C ATOM 906 O PHE A 656 -6.908 -6.878 2.391 1.00 0.04 O ATOM 907 CB PHE A 656 -5.230 -5.667 0.092 1.00 40.30 C ATOM 908 CG PHE A 656 -4.367 -4.588 -0.498 1.00 33.41 C ATOM 909 CD1 PHE A 656 -3.796 -3.620 0.311 1.00 65.22 C ATOM 910 CD2 PHE A 656 -4.128 -4.544 -1.862 1.00 41.14 C ATOM 911 CE1 PHE A 656 -3.002 -2.627 -0.230 1.00 44.12 C ATOM 912 CE2 PHE A 656 -3.335 -3.552 -2.409 1.00 64.11 C ATOM 913 CZ PHE A 656 -2.769 -2.593 -1.591 1.00 74.01 C ATOM 0 H PHE A 656 -2.994 -6.558 0.625 1.00 43.41 H new ATOM 0 HA PHE A 656 -4.911 -5.189 2.162 1.00 32.33 H new ATOM 0 HB2 PHE A 656 -5.184 -6.548 -0.548 1.00 40.30 H new ATOM 0 HB3 PHE A 656 -6.267 -5.330 0.097 1.00 40.30 H new ATOM 0 HD1 PHE A 656 -3.973 -3.641 1.376 1.00 65.22 H new ATOM 0 HD2 PHE A 656 -4.566 -5.293 -2.505 1.00 41.14 H new ATOM 0 HE1 PHE A 656 -2.563 -1.877 0.412 1.00 44.12 H new ATOM 0 HE2 PHE A 656 -3.158 -3.527 -3.474 1.00 64.11 H new ATOM 0 HZ PHE A 656 -2.146 -1.819 -2.015 1.00 74.01 H new ATOM 923 N GLU A 657 -5.261 -8.379 2.082 1.00 72.20 N ATOM 924 CA GLU A 657 -6.052 -9.508 2.560 1.00 70.02 C ATOM 925 C GLU A 657 -6.345 -9.374 4.051 1.00 41.11 C ATOM 926 O GLU A 657 -7.407 -9.777 4.526 1.00 73.42 O ATOM 927 CB GLU A 657 -5.319 -10.824 2.289 1.00 40.23 C ATOM 928 CG GLU A 657 -5.986 -12.033 2.922 1.00 72.22 C ATOM 929 CD GLU A 657 -5.268 -12.508 4.169 1.00 22.14 C ATOM 930 OE1 GLU A 657 -4.021 -12.564 4.152 1.00 22.13 O ATOM 931 OE2 GLU A 657 -5.954 -12.824 5.165 1.00 74.54 O ATOM 0 H GLU A 657 -4.313 -8.620 1.794 1.00 72.20 H new ATOM 0 HA GLU A 657 -6.999 -9.510 2.020 1.00 70.02 H new ATOM 0 HB2 GLU A 657 -5.253 -10.978 1.212 1.00 40.23 H new ATOM 0 HB3 GLU A 657 -4.298 -10.745 2.663 1.00 40.23 H new ATOM 0 HG2 GLU A 657 -7.017 -11.784 3.173 1.00 72.22 H new ATOM 0 HG3 GLU A 657 -6.022 -12.845 2.196 1.00 72.22 H new ATOM 938 N THR A 658 -5.394 -8.805 4.786 1.00 72.03 N ATOM 939 CA THR A 658 -5.548 -8.619 6.224 1.00 43.52 C ATOM 940 C THR A 658 -5.751 -7.148 6.569 1.00 60.33 C ATOM 941 O THR A 658 -6.361 -6.817 7.587 1.00 43.11 O ATOM 942 CB THR A 658 -4.324 -9.151 6.993 1.00 54.31 C ATOM 943 OG1 THR A 658 -4.613 -9.205 8.394 1.00 3.42 O ATOM 944 CG2 THR A 658 -3.108 -8.269 6.753 1.00 12.12 C ATOM 0 H THR A 658 -4.509 -8.465 4.409 1.00 72.03 H new ATOM 0 HA THR A 658 -6.430 -9.185 6.524 1.00 43.52 H new ATOM 0 HB THR A 658 -4.101 -10.154 6.629 1.00 54.31 H new ATOM 0 HG1 THR A 658 -3.831 -9.546 8.876 1.00 3.42 H new ATOM 0 HG21 THR A 658 -2.256 -8.665 7.306 1.00 12.12 H new ATOM 0 HG22 THR A 658 -2.874 -8.254 5.689 1.00 12.12 H new ATOM 0 HG23 THR A 658 -3.321 -7.255 7.092 1.00 12.12 H new ATOM 952 N LEU A 659 -5.238 -6.268 5.716 1.00 63.42 N ATOM 953 CA LEU A 659 -5.364 -4.831 5.931 1.00 51.12 C ATOM 954 C LEU A 659 -6.830 -4.416 5.989 1.00 13.04 C ATOM 955 O LEU A 659 -7.712 -5.140 5.526 1.00 65.11 O ATOM 956 CB LEU A 659 -4.650 -4.065 4.816 1.00 5.53 C ATOM 957 CG LEU A 659 -3.360 -3.346 5.215 1.00 32.35 C ATOM 958 CD1 LEU A 659 -2.148 -4.207 4.897 1.00 71.30 C ATOM 959 CD2 LEU A 659 -3.260 -2.000 4.512 1.00 72.43 C ATOM 0 H LEU A 659 -4.731 -6.525 4.869 1.00 63.42 H new ATOM 0 HA LEU A 659 -4.899 -4.589 6.886 1.00 51.12 H new ATOM 0 HB2 LEU A 659 -4.419 -4.764 4.012 1.00 5.53 H new ATOM 0 HB3 LEU A 659 -5.342 -3.328 4.408 1.00 5.53 H new ATOM 0 HG LEU A 659 -3.383 -3.171 6.291 1.00 32.35 H new ATOM 0 HD11 LEU A 659 -1.240 -3.679 5.188 1.00 71.30 H new ATOM 0 HD12 LEU A 659 -2.214 -5.146 5.447 1.00 71.30 H new ATOM 0 HD13 LEU A 659 -2.120 -4.415 3.827 1.00 71.30 H new ATOM 0 HD21 LEU A 659 -2.336 -1.503 4.808 1.00 72.43 H new ATOM 0 HD22 LEU A 659 -3.261 -2.152 3.433 1.00 72.43 H new ATOM 0 HD23 LEU A 659 -4.112 -1.379 4.791 1.00 72.43 H new ATOM 971 N LYS A 660 -7.086 -3.244 6.562 1.00 61.02 N ATOM 972 CA LYS A 660 -8.444 -2.729 6.679 1.00 10.33 C ATOM 973 C LYS A 660 -8.830 -1.925 5.442 1.00 13.01 C ATOM 974 O LYS A 660 -7.981 -1.506 4.654 1.00 31.11 O ATOM 975 CB LYS A 660 -8.575 -1.855 7.929 1.00 23.43 C ATOM 976 CG LYS A 660 -9.178 -2.583 9.119 1.00 41.13 C ATOM 977 CD LYS A 660 -8.166 -3.504 9.780 1.00 15.33 C ATOM 978 CE LYS A 660 -8.832 -4.431 10.786 1.00 2.13 C ATOM 979 NZ LYS A 660 -8.852 -3.842 12.154 1.00 53.40 N ATOM 0 H LYS A 660 -6.369 -2.633 6.953 1.00 61.02 H new ATOM 0 HA LYS A 660 -9.121 -3.579 6.765 1.00 10.33 H new ATOM 0 HB2 LYS A 660 -7.590 -1.479 8.205 1.00 23.43 H new ATOM 0 HB3 LYS A 660 -9.192 -0.988 7.693 1.00 23.43 H new ATOM 0 HG2 LYS A 660 -9.539 -1.856 9.846 1.00 41.13 H new ATOM 0 HG3 LYS A 660 -10.041 -3.163 8.793 1.00 41.13 H new ATOM 0 HD2 LYS A 660 -7.659 -4.096 9.018 1.00 15.33 H new ATOM 0 HD3 LYS A 660 -7.403 -2.908 10.281 1.00 15.33 H new ATOM 0 HE2 LYS A 660 -9.853 -4.641 10.466 1.00 2.13 H new ATOM 0 HE3 LYS A 660 -8.302 -5.383 10.808 1.00 2.13 H new ATOM 0 HZ1 LYS A 660 -9.314 -4.504 12.810 1.00 53.40 H new ATOM 0 HZ2 LYS A 660 -7.877 -3.665 12.470 1.00 53.40 H new ATOM 0 HZ3 LYS A 660 -9.379 -2.946 12.138 1.00 53.40 H new ATOM 993 N PRO A 661 -10.141 -1.701 5.266 1.00 43.42 N ATOM 994 CA PRO A 661 -10.669 -0.942 4.127 1.00 23.30 C ATOM 995 C PRO A 661 -10.326 0.541 4.209 1.00 64.01 C ATOM 996 O PRO A 661 -10.219 1.221 3.189 1.00 61.04 O ATOM 997 CB PRO A 661 -12.182 -1.149 4.234 1.00 43.44 C ATOM 998 CG PRO A 661 -12.425 -1.430 5.677 1.00 65.45 C ATOM 999 CD PRO A 661 -11.209 -2.168 6.165 1.00 61.52 C ATOM 0 HA PRO A 661 -10.245 -1.279 3.181 1.00 23.30 H new ATOM 0 HB2 PRO A 661 -12.727 -0.264 3.906 1.00 43.44 H new ATOM 0 HB3 PRO A 661 -12.513 -1.978 3.608 1.00 43.44 H new ATOM 0 HG2 PRO A 661 -12.571 -0.505 6.236 1.00 65.45 H new ATOM 0 HG3 PRO A 661 -13.326 -2.029 5.812 1.00 65.45 H new ATOM 0 HD2 PRO A 661 -10.988 -1.934 7.206 1.00 61.52 H new ATOM 0 HD3 PRO A 661 -11.343 -3.248 6.103 1.00 61.52 H new ATOM 1007 N SER A 662 -10.154 1.037 5.430 1.00 2.14 N ATOM 1008 CA SER A 662 -9.826 2.442 5.645 1.00 33.15 C ATOM 1009 C SER A 662 -8.457 2.776 5.063 1.00 31.40 C ATOM 1010 O SER A 662 -8.313 3.718 4.283 1.00 63.43 O ATOM 1011 CB SER A 662 -9.853 2.770 7.139 1.00 24.52 C ATOM 1012 OG SER A 662 -10.941 3.619 7.456 1.00 13.23 O ATOM 0 H SER A 662 -10.236 0.487 6.285 1.00 2.14 H new ATOM 0 HA SER A 662 -10.575 3.047 5.134 1.00 33.15 H new ATOM 0 HB2 SER A 662 -9.928 1.848 7.715 1.00 24.52 H new ATOM 0 HB3 SER A 662 -8.918 3.250 7.426 1.00 24.52 H new ATOM 0 HG SER A 662 -10.936 3.812 8.417 1.00 13.23 H new ATOM 1018 N THR A 663 -7.451 1.996 5.449 1.00 43.11 N ATOM 1019 CA THR A 663 -6.092 2.208 4.967 1.00 72.03 C ATOM 1020 C THR A 663 -5.997 1.968 3.464 1.00 0.32 C ATOM 1021 O THR A 663 -5.380 2.749 2.739 1.00 64.15 O ATOM 1022 CB THR A 663 -5.090 1.286 5.687 1.00 22.52 C ATOM 1023 OG1 THR A 663 -5.216 1.437 7.105 1.00 13.31 O ATOM 1024 CG2 THR A 663 -3.664 1.600 5.263 1.00 21.45 C ATOM 0 H THR A 663 -7.552 1.212 6.094 1.00 43.11 H new ATOM 0 HA THR A 663 -5.839 3.246 5.183 1.00 72.03 H new ATOM 0 HB THR A 663 -5.315 0.256 5.411 1.00 22.52 H new ATOM 0 HG1 THR A 663 -4.577 0.846 7.555 1.00 13.31 H new ATOM 0 HG21 THR A 663 -2.975 0.936 5.785 1.00 21.45 H new ATOM 0 HG22 THR A 663 -3.564 1.454 4.187 1.00 21.45 H new ATOM 0 HG23 THR A 663 -3.430 2.635 5.512 1.00 21.45 H new ATOM 1032 N LEU A 664 -6.612 0.885 3.004 1.00 75.22 N ATOM 1033 CA LEU A 664 -6.598 0.542 1.585 1.00 31.03 C ATOM 1034 C LEU A 664 -6.910 1.764 0.727 1.00 60.42 C ATOM 1035 O LEU A 664 -6.114 2.155 -0.127 1.00 63.24 O ATOM 1036 CB LEU A 664 -7.610 -0.569 1.299 1.00 54.04 C ATOM 1037 CG LEU A 664 -7.029 -1.967 1.083 1.00 41.41 C ATOM 1038 CD1 LEU A 664 -6.040 -2.309 2.186 1.00 65.04 C ATOM 1039 CD2 LEU A 664 -8.141 -3.003 1.021 1.00 72.10 C ATOM 0 H LEU A 664 -7.127 0.229 3.592 1.00 75.22 H new ATOM 0 HA LEU A 664 -5.599 0.188 1.331 1.00 31.03 H new ATOM 0 HB2 LEU A 664 -8.314 -0.614 2.130 1.00 54.04 H new ATOM 0 HB3 LEU A 664 -8.181 -0.294 0.412 1.00 54.04 H new ATOM 0 HG LEU A 664 -6.498 -1.976 0.131 1.00 41.41 H new ATOM 0 HD11 LEU A 664 -5.637 -3.307 2.016 1.00 65.04 H new ATOM 0 HD12 LEU A 664 -5.227 -1.583 2.183 1.00 65.04 H new ATOM 0 HD13 LEU A 664 -6.547 -2.282 3.151 1.00 65.04 H new ATOM 0 HD21 LEU A 664 -7.709 -3.992 0.867 1.00 72.10 H new ATOM 0 HD22 LEU A 664 -8.700 -2.993 1.957 1.00 72.10 H new ATOM 0 HD23 LEU A 664 -8.812 -2.768 0.195 1.00 72.10 H new ATOM 1051 N ARG A 665 -8.073 2.364 0.961 1.00 33.41 N ATOM 1052 CA ARG A 665 -8.490 3.542 0.210 1.00 63.51 C ATOM 1053 C ARG A 665 -7.580 4.729 0.512 1.00 64.03 C ATOM 1054 O ARG A 665 -7.176 5.458 -0.393 1.00 1.30 O ATOM 1055 CB ARG A 665 -9.940 3.898 0.543 1.00 43.44 C ATOM 1056 CG ARG A 665 -10.676 4.582 -0.598 1.00 40.13 C ATOM 1057 CD ARG A 665 -12.169 4.668 -0.325 1.00 2.03 C ATOM 1058 NE ARG A 665 -12.558 5.983 0.179 1.00 33.31 N ATOM 1059 CZ ARG A 665 -12.572 7.081 -0.567 1.00 45.32 C ATOM 1060 NH1 ARG A 665 -12.221 7.023 -1.844 1.00 44.21 N ATOM 1061 NH2 ARG A 665 -12.938 8.241 -0.036 1.00 43.23 N ATOM 0 H ARG A 665 -8.743 2.054 1.665 1.00 33.41 H new ATOM 0 HA ARG A 665 -8.415 3.311 -0.853 1.00 63.51 H new ATOM 0 HB2 ARG A 665 -10.475 2.989 0.816 1.00 43.44 H new ATOM 0 HB3 ARG A 665 -9.954 4.550 1.416 1.00 43.44 H new ATOM 0 HG2 ARG A 665 -10.273 5.584 -0.743 1.00 40.13 H new ATOM 0 HG3 ARG A 665 -10.505 4.033 -1.524 1.00 40.13 H new ATOM 0 HD2 ARG A 665 -12.718 4.454 -1.242 1.00 2.03 H new ATOM 0 HD3 ARG A 665 -12.450 3.904 0.400 1.00 2.03 H new ATOM 0 HE ARG A 665 -12.834 6.062 1.158 1.00 33.31 H new ATOM 0 HH11 ARG A 665 -11.939 6.133 -2.256 1.00 44.21 H new ATOM 0 HH12 ARG A 665 -12.233 7.868 -2.415 1.00 44.21 H new ATOM 0 HH21 ARG A 665 -13.209 8.289 0.946 1.00 43.23 H new ATOM 0 HH22 ARG A 665 -12.948 9.084 -0.610 1.00 43.23 H new ATOM 1075 N GLU A 666 -7.263 4.916 1.790 1.00 51.02 N ATOM 1076 CA GLU A 666 -6.403 6.016 2.210 1.00 72.41 C ATOM 1077 C GLU A 666 -5.119 6.047 1.386 1.00 63.13 C ATOM 1078 O GLU A 666 -4.739 7.088 0.848 1.00 62.32 O ATOM 1079 CB GLU A 666 -6.065 5.888 3.696 1.00 14.12 C ATOM 1080 CG GLU A 666 -6.808 6.878 4.577 1.00 13.40 C ATOM 1081 CD GLU A 666 -8.314 6.749 4.458 1.00 33.43 C ATOM 1082 OE1 GLU A 666 -8.869 7.198 3.434 1.00 51.13 O ATOM 1083 OE2 GLU A 666 -8.938 6.198 5.390 1.00 44.15 O ATOM 0 H GLU A 666 -7.589 4.320 2.551 1.00 51.02 H new ATOM 0 HA GLU A 666 -6.942 6.949 2.046 1.00 72.41 H new ATOM 0 HB2 GLU A 666 -6.296 4.875 4.027 1.00 14.12 H new ATOM 0 HB3 GLU A 666 -4.993 6.030 3.829 1.00 14.12 H new ATOM 0 HG2 GLU A 666 -6.515 6.725 5.616 1.00 13.40 H new ATOM 0 HG3 GLU A 666 -6.512 7.892 4.308 1.00 13.40 H new ATOM 1090 N LEU A 667 -4.455 4.901 1.291 1.00 34.42 N ATOM 1091 CA LEU A 667 -3.213 4.795 0.534 1.00 3.53 C ATOM 1092 C LEU A 667 -3.381 5.369 -0.869 1.00 41.13 C ATOM 1093 O LEU A 667 -2.587 6.199 -1.310 1.00 11.31 O ATOM 1094 CB LEU A 667 -2.766 3.335 0.450 1.00 23.31 C ATOM 1095 CG LEU A 667 -1.969 2.807 1.644 1.00 61.22 C ATOM 1096 CD1 LEU A 667 -2.309 3.592 2.901 1.00 14.31 C ATOM 1097 CD2 LEU A 667 -2.237 1.324 1.850 1.00 34.43 C ATOM 0 H LEU A 667 -4.756 4.031 1.729 1.00 34.42 H new ATOM 0 HA LEU A 667 -2.449 5.372 1.054 1.00 3.53 H new ATOM 0 HB2 LEU A 667 -3.651 2.711 0.325 1.00 23.31 H new ATOM 0 HB3 LEU A 667 -2.161 3.212 -0.448 1.00 23.31 H new ATOM 0 HG LEU A 667 -0.907 2.938 1.435 1.00 61.22 H new ATOM 0 HD11 LEU A 667 -1.733 3.203 3.740 1.00 14.31 H new ATOM 0 HD12 LEU A 667 -2.065 4.644 2.750 1.00 14.31 H new ATOM 0 HD13 LEU A 667 -3.373 3.493 3.115 1.00 14.31 H new ATOM 0 HD21 LEU A 667 -1.662 0.965 2.704 1.00 34.43 H new ATOM 0 HD22 LEU A 667 -3.299 1.169 2.038 1.00 34.43 H new ATOM 0 HD23 LEU A 667 -1.942 0.773 0.957 1.00 34.43 H new ATOM 1109 N GLU A 668 -4.422 4.922 -1.565 1.00 60.51 N ATOM 1110 CA GLU A 668 -4.695 5.392 -2.918 1.00 63.14 C ATOM 1111 C GLU A 668 -4.952 6.897 -2.929 1.00 64.43 C ATOM 1112 O GLU A 668 -4.595 7.591 -3.882 1.00 33.10 O ATOM 1113 CB GLU A 668 -5.898 4.653 -3.507 1.00 2.43 C ATOM 1114 CG GLU A 668 -6.355 5.204 -4.847 1.00 22.33 C ATOM 1115 CD GLU A 668 -7.529 6.156 -4.717 1.00 71.33 C ATOM 1116 OE1 GLU A 668 -7.294 7.354 -4.454 1.00 60.35 O ATOM 1117 OE2 GLU A 668 -8.681 5.703 -4.878 1.00 33.14 O ATOM 0 H GLU A 668 -5.090 4.235 -1.214 1.00 60.51 H new ATOM 0 HA GLU A 668 -3.817 5.186 -3.531 1.00 63.14 H new ATOM 0 HB2 GLU A 668 -5.644 3.599 -3.624 1.00 2.43 H new ATOM 0 HB3 GLU A 668 -6.727 4.705 -2.801 1.00 2.43 H new ATOM 0 HG2 GLU A 668 -5.524 5.722 -5.325 1.00 22.33 H new ATOM 0 HG3 GLU A 668 -6.633 4.377 -5.500 1.00 22.33 H new ATOM 1124 N ARG A 669 -5.573 7.393 -1.865 1.00 32.41 N ATOM 1125 CA ARG A 669 -5.881 8.813 -1.752 1.00 64.20 C ATOM 1126 C ARG A 669 -4.621 9.656 -1.922 1.00 41.51 C ATOM 1127 O ARG A 669 -4.672 10.768 -2.450 1.00 2.52 O ATOM 1128 CB ARG A 669 -6.528 9.112 -0.399 1.00 60.52 C ATOM 1129 CG ARG A 669 -7.869 9.819 -0.508 1.00 2.21 C ATOM 1130 CD ARG A 669 -8.754 9.523 0.692 1.00 72.22 C ATOM 1131 NE ARG A 669 -9.747 10.571 0.912 1.00 71.33 N ATOM 1132 CZ ARG A 669 -10.491 10.659 2.009 1.00 10.21 C ATOM 1133 NH1 ARG A 669 -10.356 9.767 2.980 1.00 51.50 N ATOM 1134 NH2 ARG A 669 -11.374 11.643 2.135 1.00 23.22 N ATOM 0 H ARG A 669 -5.873 6.832 -1.068 1.00 32.41 H new ATOM 0 HA ARG A 669 -6.582 9.071 -2.546 1.00 64.20 H new ATOM 0 HB2 ARG A 669 -6.663 8.177 0.144 1.00 60.52 H new ATOM 0 HB3 ARG A 669 -5.849 9.728 0.191 1.00 60.52 H new ATOM 0 HG2 ARG A 669 -7.709 10.894 -0.587 1.00 2.21 H new ATOM 0 HG3 ARG A 669 -8.375 9.504 -1.421 1.00 2.21 H new ATOM 0 HD2 ARG A 669 -9.260 8.569 0.542 1.00 72.22 H new ATOM 0 HD3 ARG A 669 -8.134 9.418 1.582 1.00 72.22 H new ATOM 0 HE ARG A 669 -9.876 11.273 0.184 1.00 71.33 H new ATOM 0 HH11 ARG A 669 -9.679 9.010 2.886 1.00 51.50 H new ATOM 0 HH12 ARG A 669 -10.929 9.838 3.821 1.00 51.50 H new ATOM 0 HH21 ARG A 669 -11.481 12.331 1.390 1.00 23.22 H new ATOM 0 HH22 ARG A 669 -11.945 11.711 2.977 1.00 23.22 H new ATOM 1148 N TYR A 670 -3.492 9.122 -1.471 1.00 2.31 N ATOM 1149 CA TYR A 670 -2.219 9.826 -1.570 1.00 13.44 C ATOM 1150 C TYR A 670 -1.620 9.676 -2.965 1.00 1.52 C ATOM 1151 O TYR A 670 -1.415 10.660 -3.674 1.00 52.53 O ATOM 1152 CB TYR A 670 -1.237 9.299 -0.522 1.00 70.12 C ATOM 1153 CG TYR A 670 -1.203 10.124 0.745 1.00 1.00 C ATOM 1154 CD1 TYR A 670 -2.307 10.186 1.587 1.00 43.12 C ATOM 1155 CD2 TYR A 670 -0.066 10.840 1.100 1.00 12.04 C ATOM 1156 CE1 TYR A 670 -2.280 10.939 2.744 1.00 1.33 C ATOM 1157 CE2 TYR A 670 -0.031 11.593 2.258 1.00 40.45 C ATOM 1158 CZ TYR A 670 -1.140 11.641 3.076 1.00 44.41 C ATOM 1159 OH TYR A 670 -1.109 12.391 4.230 1.00 63.34 O ATOM 0 H TYR A 670 -3.432 8.203 -1.033 1.00 2.31 H new ATOM 0 HA TYR A 670 -2.404 10.884 -1.385 1.00 13.44 H new ATOM 0 HB2 TYR A 670 -1.504 8.273 -0.270 1.00 70.12 H new ATOM 0 HB3 TYR A 670 -0.237 9.272 -0.955 1.00 70.12 H new ATOM 0 HD1 TYR A 670 -3.201 9.636 1.332 1.00 43.12 H new ATOM 0 HD2 TYR A 670 0.804 10.807 0.461 1.00 12.04 H new ATOM 0 HE1 TYR A 670 -3.147 10.978 3.386 1.00 1.33 H new ATOM 0 HE2 TYR A 670 0.861 12.142 2.521 1.00 40.45 H new ATOM 0 HH TYR A 670 -0.233 12.822 4.317 1.00 63.34 H new ATOM 1169 N VAL A 671 -1.342 8.435 -3.352 1.00 13.01 N ATOM 1170 CA VAL A 671 -0.769 8.153 -4.663 1.00 5.33 C ATOM 1171 C VAL A 671 -1.582 8.812 -5.771 1.00 45.32 C ATOM 1172 O VAL A 671 -1.041 9.198 -6.808 1.00 51.03 O ATOM 1173 CB VAL A 671 -0.692 6.638 -4.928 1.00 51.40 C ATOM 1174 CG1 VAL A 671 -2.055 6.097 -5.332 1.00 52.21 C ATOM 1175 CG2 VAL A 671 0.349 6.337 -5.996 1.00 33.15 C ATOM 0 H VAL A 671 -1.504 7.609 -2.776 1.00 13.01 H new ATOM 0 HA VAL A 671 0.240 8.565 -4.663 1.00 5.33 H new ATOM 0 HB VAL A 671 -0.389 6.140 -4.007 1.00 51.40 H new ATOM 0 HG11 VAL A 671 -1.981 5.025 -5.515 1.00 52.21 H new ATOM 0 HG12 VAL A 671 -2.771 6.280 -4.531 1.00 52.21 H new ATOM 0 HG13 VAL A 671 -2.391 6.598 -6.240 1.00 52.21 H new ATOM 0 HG21 VAL A 671 0.390 5.262 -6.171 1.00 33.15 H new ATOM 0 HG22 VAL A 671 0.078 6.845 -6.922 1.00 33.15 H new ATOM 0 HG23 VAL A 671 1.325 6.688 -5.662 1.00 33.15 H new ATOM 1185 N THR A 672 -2.886 8.938 -5.546 1.00 72.50 N ATOM 1186 CA THR A 672 -3.775 9.549 -6.526 1.00 64.14 C ATOM 1187 C THR A 672 -3.586 11.061 -6.573 1.00 43.31 C ATOM 1188 O THR A 672 -3.609 11.666 -7.644 1.00 14.20 O ATOM 1189 CB THR A 672 -5.252 9.238 -6.217 1.00 23.13 C ATOM 1190 OG1 THR A 672 -5.483 7.827 -6.305 1.00 3.33 O ATOM 1191 CG2 THR A 672 -6.173 9.969 -7.181 1.00 41.24 C ATOM 0 H THR A 672 -3.350 8.625 -4.693 1.00 72.50 H new ATOM 0 HA THR A 672 -3.516 9.122 -7.495 1.00 64.14 H new ATOM 0 HB THR A 672 -5.469 9.580 -5.205 1.00 23.13 H new ATOM 0 HG1 THR A 672 -5.548 7.449 -5.403 1.00 3.33 H new ATOM 0 HG21 THR A 672 -7.210 9.733 -6.943 1.00 41.24 H new ATOM 0 HG22 THR A 672 -6.015 11.044 -7.091 1.00 41.24 H new ATOM 0 HG23 THR A 672 -5.955 9.655 -8.202 1.00 41.24 H new ATOM 1199 N SER A 673 -3.396 11.666 -5.404 1.00 21.40 N ATOM 1200 CA SER A 673 -3.206 13.108 -5.312 1.00 24.12 C ATOM 1201 C SER A 673 -1.908 13.530 -5.996 1.00 53.13 C ATOM 1202 O SER A 673 -1.822 14.614 -6.572 1.00 1.53 O ATOM 1203 CB SER A 673 -3.189 13.549 -3.847 1.00 22.14 C ATOM 1204 OG SER A 673 -3.038 14.953 -3.738 1.00 42.21 O ATOM 0 H SER A 673 -3.370 11.179 -4.508 1.00 21.40 H new ATOM 0 HA SER A 673 -4.039 13.592 -5.821 1.00 24.12 H new ATOM 0 HB2 SER A 673 -4.115 13.241 -3.361 1.00 22.14 H new ATOM 0 HB3 SER A 673 -2.373 13.051 -3.324 1.00 22.14 H new ATOM 0 HG SER A 673 -3.032 15.209 -2.792 1.00 42.21 H new ATOM 1309 N THR B 389 16.613 3.858 -3.500 1.00 70.11 N ATOM 1310 CA THR B 389 15.161 3.977 -3.472 1.00 54.34 C ATOM 1311 C THR B 389 14.519 2.733 -2.870 1.00 74.42 C ATOM 1312 O THR B 389 15.211 1.841 -2.381 1.00 34.01 O ATOM 1313 CB THR B 389 14.589 4.206 -4.884 1.00 31.04 C ATOM 1314 OG1 THR B 389 15.655 4.304 -5.834 1.00 71.33 O ATOM 1315 CG2 THR B 389 13.745 5.470 -4.928 1.00 44.33 C ATOM 0 HA THR B 389 14.926 4.840 -2.849 1.00 54.34 H new ATOM 0 HB THR B 389 13.955 3.357 -5.137 1.00 31.04 H new ATOM 0 HG1 THR B 389 16.500 4.054 -5.405 1.00 71.33 H new ATOM 0 HG21 THR B 389 13.352 5.610 -5.935 1.00 44.33 H new ATOM 0 HG22 THR B 389 12.917 5.379 -4.225 1.00 44.33 H new ATOM 0 HG23 THR B 389 14.360 6.328 -4.656 1.00 44.33 H new ATOM 1323 N TRP B 390 13.192 2.680 -2.912 1.00 13.02 N ATOM 1324 CA TRP B 390 12.456 1.543 -2.370 1.00 73.42 C ATOM 1325 C TRP B 390 12.216 0.488 -3.446 1.00 31.43 C ATOM 1326 O TRP B 390 12.543 0.695 -4.614 1.00 74.20 O ATOM 1327 CB TRP B 390 11.121 2.004 -1.785 1.00 54.53 C ATOM 1328 CG TRP B 390 11.214 2.421 -0.348 1.00 52.15 C ATOM 1329 CD1 TRP B 390 11.931 3.469 0.157 1.00 63.24 C ATOM 1330 CD2 TRP B 390 10.571 1.797 0.768 1.00 14.34 C ATOM 1331 NE1 TRP B 390 11.772 3.534 1.520 1.00 35.41 N ATOM 1332 CE2 TRP B 390 10.941 2.520 1.919 1.00 12.13 C ATOM 1333 CE3 TRP B 390 9.716 0.701 0.908 1.00 52.02 C ATOM 1334 CZ2 TRP B 390 10.486 2.179 3.190 1.00 65.20 C ATOM 1335 CZ3 TRP B 390 9.266 0.363 2.170 1.00 50.44 C ATOM 1336 CH2 TRP B 390 9.651 1.101 3.297 1.00 34.30 C ATOM 0 H TRP B 390 12.605 3.410 -3.315 1.00 13.02 H new ATOM 0 HA TRP B 390 13.057 1.098 -1.577 1.00 73.42 H new ATOM 0 HB2 TRP B 390 10.743 2.839 -2.375 1.00 54.53 H new ATOM 0 HB3 TRP B 390 10.395 1.196 -1.875 1.00 54.53 H new ATOM 0 HD1 TRP B 390 12.534 4.147 -0.429 1.00 63.24 H new ATOM 0 HE1 TRP B 390 12.202 4.225 2.135 1.00 35.41 H new ATOM 0 HE3 TRP B 390 9.412 0.128 0.045 1.00 52.02 H new ATOM 0 HZ2 TRP B 390 10.782 2.746 4.060 1.00 65.20 H new ATOM 0 HZ3 TRP B 390 8.607 -0.484 2.290 1.00 50.44 H new ATOM 0 HH2 TRP B 390 9.281 0.813 4.270 1.00 34.30 H new ATOM 1347 N ARG B 391 11.643 -0.642 -3.042 1.00 41.33 N ATOM 1348 CA ARG B 391 11.361 -1.729 -3.972 1.00 41.10 C ATOM 1349 C ARG B 391 10.019 -2.380 -3.654 1.00 73.44 C ATOM 1350 O ARG B 391 9.473 -2.205 -2.566 1.00 2.32 O ATOM 1351 CB ARG B 391 12.474 -2.776 -3.919 1.00 22.22 C ATOM 1352 CG ARG B 391 12.589 -3.474 -2.572 1.00 61.15 C ATOM 1353 CD ARG B 391 13.927 -4.182 -2.425 1.00 71.51 C ATOM 1354 NE ARG B 391 13.893 -5.537 -2.971 1.00 2.41 N ATOM 1355 CZ ARG B 391 14.939 -6.355 -2.972 1.00 4.25 C ATOM 1356 NH1 ARG B 391 16.095 -5.959 -2.458 1.00 60.33 N ATOM 1357 NH2 ARG B 391 14.830 -7.573 -3.487 1.00 14.31 N ATOM 0 H ARG B 391 11.366 -0.828 -2.078 1.00 41.33 H new ATOM 0 HA ARG B 391 11.314 -1.311 -4.978 1.00 41.10 H new ATOM 0 HB2 ARG B 391 12.296 -3.523 -4.692 1.00 22.22 H new ATOM 0 HB3 ARG B 391 13.424 -2.296 -4.153 1.00 22.22 H new ATOM 0 HG2 ARG B 391 12.472 -2.744 -1.771 1.00 61.15 H new ATOM 0 HG3 ARG B 391 11.780 -4.196 -2.465 1.00 61.15 H new ATOM 0 HD2 ARG B 391 14.700 -3.606 -2.934 1.00 71.51 H new ATOM 0 HD3 ARG B 391 14.202 -4.223 -1.371 1.00 71.51 H new ATOM 0 HE ARG B 391 13.018 -5.873 -3.373 1.00 2.41 H new ATOM 0 HH11 ARG B 391 16.183 -5.024 -2.060 1.00 60.33 H new ATOM 0 HH12 ARG B 391 16.897 -6.590 -2.460 1.00 60.33 H new ATOM 0 HH21 ARG B 391 13.942 -7.882 -3.883 1.00 14.31 H new ATOM 0 HH22 ARG B 391 15.634 -8.200 -3.487 1.00 14.31 H new ATOM 1371 N VAL B 392 9.491 -3.134 -4.614 1.00 72.14 N ATOM 1372 CA VAL B 392 8.213 -3.813 -4.437 1.00 74.51 C ATOM 1373 C VAL B 392 8.301 -5.272 -4.869 1.00 34.45 C ATOM 1374 O VAL B 392 8.836 -5.584 -5.933 1.00 53.52 O ATOM 1375 CB VAL B 392 7.093 -3.119 -5.236 1.00 41.01 C ATOM 1376 CG1 VAL B 392 7.356 -3.230 -6.730 1.00 41.45 C ATOM 1377 CG2 VAL B 392 5.738 -3.713 -4.880 1.00 25.14 C ATOM 0 H VAL B 392 9.929 -3.290 -5.522 1.00 72.14 H new ATOM 0 HA VAL B 392 7.974 -3.766 -3.375 1.00 74.51 H new ATOM 0 HB VAL B 392 7.082 -2.062 -4.970 1.00 41.01 H new ATOM 0 HG11 VAL B 392 6.555 -2.734 -7.278 1.00 41.45 H new ATOM 0 HG12 VAL B 392 8.307 -2.754 -6.968 1.00 41.45 H new ATOM 0 HG13 VAL B 392 7.395 -4.281 -7.016 1.00 41.45 H new ATOM 0 HG21 VAL B 392 4.959 -3.211 -5.453 1.00 25.14 H new ATOM 0 HG22 VAL B 392 5.734 -4.777 -5.116 1.00 25.14 H new ATOM 0 HG23 VAL B 392 5.549 -3.577 -3.815 1.00 25.14 H new ATOM 1387 N GLN B 393 7.773 -6.163 -4.036 1.00 55.20 N ATOM 1388 CA GLN B 393 7.792 -7.591 -4.333 1.00 1.32 C ATOM 1389 C GLN B 393 6.454 -8.237 -3.989 1.00 10.44 C ATOM 1390 O GLN B 393 6.103 -8.374 -2.816 1.00 70.45 O ATOM 1391 CB GLN B 393 8.918 -8.278 -3.559 1.00 34.13 C ATOM 1392 CG GLN B 393 10.295 -7.707 -3.852 1.00 41.55 C ATOM 1393 CD GLN B 393 11.248 -7.849 -2.681 1.00 72.11 C ATOM 1394 OE1 GLN B 393 12.259 -8.547 -2.770 1.00 11.42 O ATOM 1395 NE2 GLN B 393 10.930 -7.187 -1.575 1.00 71.44 N ATOM 0 H GLN B 393 7.327 -5.922 -3.151 1.00 55.20 H new ATOM 0 HA GLN B 393 7.968 -7.712 -5.402 1.00 1.32 H new ATOM 0 HB2 GLN B 393 8.718 -8.192 -2.491 1.00 34.13 H new ATOM 0 HB3 GLN B 393 8.916 -9.341 -3.799 1.00 34.13 H new ATOM 0 HG2 GLN B 393 10.716 -8.212 -4.721 1.00 41.55 H new ATOM 0 HG3 GLN B 393 10.199 -6.653 -4.112 1.00 41.55 H new ATOM 0 HE21 GLN B 393 10.082 -6.620 -1.546 1.00 71.44 H new ATOM 0 HE22 GLN B 393 11.533 -7.245 -0.755 1.00 71.44 H new ATOM 1404 N ARG B 394 5.710 -8.630 -5.018 1.00 32.53 N ATOM 1405 CA ARG B 394 4.409 -9.260 -4.823 1.00 63.44 C ATOM 1406 C ARG B 394 4.564 -10.648 -4.209 1.00 4.41 C ATOM 1407 O ARG B 394 5.654 -11.221 -4.210 1.00 1.43 O ATOM 1408 CB ARG B 394 3.665 -9.361 -6.156 1.00 32.15 C ATOM 1409 CG ARG B 394 3.735 -8.092 -6.991 1.00 33.45 C ATOM 1410 CD ARG B 394 4.753 -8.220 -8.113 1.00 15.34 C ATOM 1411 NE ARG B 394 4.164 -8.781 -9.326 1.00 12.44 N ATOM 1412 CZ ARG B 394 4.794 -8.828 -10.494 1.00 34.33 C ATOM 1413 NH1 ARG B 394 6.025 -8.351 -10.607 1.00 23.51 N ATOM 1414 NH2 ARG B 394 4.191 -9.355 -11.553 1.00 23.23 N ATOM 0 H ARG B 394 5.985 -8.523 -5.994 1.00 32.53 H new ATOM 0 HA ARG B 394 3.831 -8.641 -4.137 1.00 63.44 H new ATOM 0 HB2 ARG B 394 4.080 -10.188 -6.732 1.00 32.15 H new ATOM 0 HB3 ARG B 394 2.620 -9.601 -5.962 1.00 32.15 H new ATOM 0 HG2 ARG B 394 2.753 -7.877 -7.412 1.00 33.45 H new ATOM 0 HG3 ARG B 394 3.999 -7.249 -6.353 1.00 33.45 H new ATOM 0 HD2 ARG B 394 5.173 -7.239 -8.335 1.00 15.34 H new ATOM 0 HD3 ARG B 394 5.577 -8.853 -7.784 1.00 15.34 H new ATOM 0 HE ARG B 394 3.217 -9.157 -9.273 1.00 12.44 H new ATOM 0 HH11 ARG B 394 6.492 -7.946 -9.795 1.00 23.51 H new ATOM 0 HH12 ARG B 394 6.506 -8.389 -11.506 1.00 23.51 H new ATOM 0 HH21 ARG B 394 3.244 -9.724 -11.469 1.00 23.23 H new ATOM 0 HH22 ARG B 394 4.675 -9.391 -12.450 1.00 23.23 H new ATOM 1428 N SER B 395 3.466 -11.183 -3.683 1.00 3.53 N ATOM 1429 CA SER B 395 3.481 -12.501 -3.060 1.00 73.04 C ATOM 1430 C SER B 395 2.297 -13.338 -3.534 1.00 73.04 C ATOM 1431 O SER B 395 1.453 -12.863 -4.295 1.00 74.24 O ATOM 1432 CB SER B 395 3.449 -12.369 -1.536 1.00 74.05 C ATOM 1433 OG SER B 395 3.850 -13.576 -0.912 1.00 3.32 O ATOM 0 H SER B 395 2.555 -10.724 -3.676 1.00 3.53 H new ATOM 0 HA SER B 395 4.402 -13.005 -3.354 1.00 73.04 H new ATOM 0 HB2 SER B 395 4.107 -11.558 -1.224 1.00 74.05 H new ATOM 0 HB3 SER B 395 2.442 -12.105 -1.212 1.00 74.05 H new ATOM 0 HG SER B 395 3.823 -13.466 0.061 1.00 3.32 H new ATOM 1439 N GLN B 396 2.242 -14.586 -3.080 1.00 11.34 N ATOM 1440 CA GLN B 396 1.162 -15.489 -3.457 1.00 63.40 C ATOM 1441 C GLN B 396 -0.198 -14.877 -3.138 1.00 45.55 C ATOM 1442 O GLN B 396 -1.199 -15.198 -3.776 1.00 43.02 O ATOM 1443 CB GLN B 396 1.314 -16.829 -2.734 1.00 14.30 C ATOM 1444 CG GLN B 396 1.099 -16.737 -1.232 1.00 24.41 C ATOM 1445 CD GLN B 396 1.950 -17.726 -0.460 1.00 32.35 C ATOM 1446 OE1 GLN B 396 3.085 -17.430 -0.088 1.00 40.41 O ATOM 1447 NE2 GLN B 396 1.404 -18.912 -0.214 1.00 51.53 N ATOM 0 H GLN B 396 2.933 -14.994 -2.451 1.00 11.34 H new ATOM 0 HA GLN B 396 1.221 -15.655 -4.533 1.00 63.40 H new ATOM 0 HB2 GLN B 396 0.602 -17.541 -3.152 1.00 14.30 H new ATOM 0 HB3 GLN B 396 2.311 -17.225 -2.926 1.00 14.30 H new ATOM 0 HG2 GLN B 396 1.329 -15.726 -0.897 1.00 24.41 H new ATOM 0 HG3 GLN B 396 0.047 -16.915 -1.008 1.00 24.41 H new ATOM 0 HE21 GLN B 396 0.460 -19.116 -0.541 1.00 51.53 H new ATOM 0 HE22 GLN B 396 1.929 -19.618 0.302 1.00 51.53 H new ATOM 1456 N ASN B 397 -0.225 -13.994 -2.145 1.00 51.30 N ATOM 1457 CA ASN B 397 -1.462 -13.337 -1.740 1.00 53.43 C ATOM 1458 C ASN B 397 -2.226 -12.818 -2.955 1.00 44.42 C ATOM 1459 O ASN B 397 -1.681 -12.685 -4.052 1.00 62.32 O ATOM 1460 CB ASN B 397 -1.162 -12.182 -0.783 1.00 30.03 C ATOM 1461 CG ASN B 397 -1.245 -12.601 0.673 1.00 53.12 C ATOM 1462 OD1 ASN B 397 -1.038 -13.767 1.007 1.00 64.23 O ATOM 1463 ND2 ASN B 397 -1.553 -11.649 1.545 1.00 21.25 N ATOM 0 H ASN B 397 0.596 -13.717 -1.606 1.00 51.30 H new ATOM 0 HA ASN B 397 -2.083 -14.073 -1.228 1.00 53.43 H new ATOM 0 HB2 ASN B 397 -0.165 -11.792 -0.990 1.00 30.03 H new ATOM 0 HB3 ASN B 397 -1.866 -11.370 -0.965 1.00 30.03 H new ATOM 0 HD21 ASN B 397 -1.626 -11.871 2.538 1.00 21.25 H new ATOM 0 HD22 ASN B 397 -1.716 -10.695 1.222 1.00 21.25 H new ATOM 1470 N PRO B 398 -3.518 -12.516 -2.759 1.00 30.53 N ATOM 1471 CA PRO B 398 -4.384 -12.007 -3.826 1.00 5.24 C ATOM 1472 C PRO B 398 -4.014 -10.587 -4.243 1.00 54.22 C ATOM 1473 O PRO B 398 -4.401 -10.125 -5.318 1.00 25.42 O ATOM 1474 CB PRO B 398 -5.778 -12.034 -3.195 1.00 2.13 C ATOM 1475 CG PRO B 398 -5.532 -11.936 -1.729 1.00 34.13 C ATOM 1476 CD PRO B 398 -4.233 -12.651 -1.479 1.00 3.34 C ATOM 0 HA PRO B 398 -4.303 -12.601 -4.736 1.00 5.24 H new ATOM 0 HB2 PRO B 398 -6.389 -11.204 -3.550 1.00 2.13 H new ATOM 0 HB3 PRO B 398 -6.309 -12.952 -3.447 1.00 2.13 H new ATOM 0 HG2 PRO B 398 -5.472 -10.895 -1.412 1.00 34.13 H new ATOM 0 HG3 PRO B 398 -6.345 -12.394 -1.165 1.00 34.13 H new ATOM 0 HD2 PRO B 398 -3.677 -12.198 -0.658 1.00 3.34 H new ATOM 0 HD3 PRO B 398 -4.394 -13.697 -1.217 1.00 3.34 H new ATOM 1484 N LEU B 399 -3.267 -9.900 -3.387 1.00 51.11 N ATOM 1485 CA LEU B 399 -2.845 -8.531 -3.667 1.00 35.12 C ATOM 1486 C LEU B 399 -1.955 -7.996 -2.550 1.00 33.03 C ATOM 1487 O LEU B 399 -2.293 -7.015 -1.889 1.00 1.54 O ATOM 1488 CB LEU B 399 -4.067 -7.626 -3.841 1.00 5.04 C ATOM 1489 CG LEU B 399 -3.948 -6.538 -4.907 1.00 74.11 C ATOM 1490 CD1 LEU B 399 -2.665 -5.744 -4.722 1.00 41.12 C ATOM 1491 CD2 LEU B 399 -4.003 -7.148 -6.301 1.00 14.04 C ATOM 0 H LEU B 399 -2.941 -10.267 -2.493 1.00 51.11 H new ATOM 0 HA LEU B 399 -2.269 -8.536 -4.593 1.00 35.12 H new ATOM 0 HB2 LEU B 399 -4.926 -8.252 -4.083 1.00 5.04 H new ATOM 0 HB3 LEU B 399 -4.280 -7.148 -2.885 1.00 5.04 H new ATOM 0 HG LEU B 399 -4.791 -5.856 -4.796 1.00 74.11 H new ATOM 0 HD11 LEU B 399 -2.599 -4.974 -5.491 1.00 41.12 H new ATOM 0 HD12 LEU B 399 -2.666 -5.275 -3.738 1.00 41.12 H new ATOM 0 HD13 LEU B 399 -1.808 -6.413 -4.804 1.00 41.12 H new ATOM 0 HD21 LEU B 399 -3.917 -6.358 -7.047 1.00 14.04 H new ATOM 0 HD22 LEU B 399 -3.181 -7.853 -6.422 1.00 14.04 H new ATOM 0 HD23 LEU B 399 -4.951 -7.670 -6.433 1.00 14.04 H new ATOM 1503 N LYS B 400 -0.816 -8.648 -2.345 1.00 43.33 N ATOM 1504 CA LYS B 400 0.126 -8.236 -1.311 1.00 42.11 C ATOM 1505 C LYS B 400 1.420 -7.715 -1.928 1.00 63.04 C ATOM 1506 O LYS B 400 2.045 -8.391 -2.746 1.00 71.32 O ATOM 1507 CB LYS B 400 0.432 -9.408 -0.375 1.00 14.14 C ATOM 1508 CG LYS B 400 1.327 -9.035 0.794 1.00 60.32 C ATOM 1509 CD LYS B 400 2.243 -10.183 1.182 1.00 24.24 C ATOM 1510 CE LYS B 400 1.475 -11.303 1.867 1.00 70.41 C ATOM 1511 NZ LYS B 400 2.315 -12.023 2.864 1.00 62.32 N ATOM 0 H LYS B 400 -0.523 -9.464 -2.881 1.00 43.33 H new ATOM 0 HA LYS B 400 -0.333 -7.430 -0.738 1.00 42.11 H new ATOM 0 HB2 LYS B 400 -0.506 -9.809 0.010 1.00 14.14 H new ATOM 0 HB3 LYS B 400 0.909 -10.204 -0.947 1.00 14.14 H new ATOM 0 HG2 LYS B 400 1.926 -8.163 0.531 1.00 60.32 H new ATOM 0 HG3 LYS B 400 0.712 -8.754 1.649 1.00 60.32 H new ATOM 0 HD2 LYS B 400 2.738 -10.571 0.292 1.00 24.24 H new ATOM 0 HD3 LYS B 400 3.025 -9.817 1.847 1.00 24.24 H new ATOM 0 HE2 LYS B 400 0.596 -10.890 2.363 1.00 70.41 H new ATOM 0 HE3 LYS B 400 1.116 -12.008 1.118 1.00 70.41 H new ATOM 0 HZ1 LYS B 400 1.755 -12.778 3.309 1.00 62.32 H new ATOM 0 HZ2 LYS B 400 3.140 -12.439 2.387 1.00 62.32 H new ATOM 0 HZ3 LYS B 400 2.637 -11.355 3.594 1.00 62.32 H new ATOM 1525 N ILE B 401 1.817 -6.510 -1.531 1.00 74.22 N ATOM 1526 CA ILE B 401 3.037 -5.901 -2.045 1.00 61.31 C ATOM 1527 C ILE B 401 4.020 -5.607 -0.918 1.00 23.34 C ATOM 1528 O ILE B 401 3.811 -4.693 -0.119 1.00 51.13 O ATOM 1529 CB ILE B 401 2.738 -4.595 -2.804 1.00 44.31 C ATOM 1530 CG1 ILE B 401 1.515 -3.900 -2.204 1.00 11.33 C ATOM 1531 CG2 ILE B 401 2.520 -4.879 -4.282 1.00 3.12 C ATOM 1532 CD1 ILE B 401 1.541 -2.394 -2.353 1.00 70.45 C ATOM 0 H ILE B 401 1.311 -5.937 -0.855 1.00 74.22 H new ATOM 0 HA ILE B 401 3.482 -6.618 -2.735 1.00 61.31 H new ATOM 0 HB ILE B 401 3.596 -3.930 -2.705 1.00 44.31 H new ATOM 0 HG12 ILE B 401 0.616 -4.289 -2.682 1.00 11.33 H new ATOM 0 HG13 ILE B 401 1.448 -4.151 -1.145 1.00 11.33 H new ATOM 0 HG21 ILE B 401 2.310 -3.946 -4.805 1.00 3.12 H new ATOM 0 HG22 ILE B 401 3.417 -5.335 -4.701 1.00 3.12 H new ATOM 0 HG23 ILE B 401 1.677 -5.560 -4.401 1.00 3.12 H new ATOM 0 HD11 ILE B 401 0.643 -1.968 -1.905 1.00 70.45 H new ATOM 0 HD12 ILE B 401 2.422 -1.994 -1.851 1.00 70.45 H new ATOM 0 HD13 ILE B 401 1.577 -2.134 -3.411 1.00 70.45 H new ATOM 1544 N ARG B 402 5.096 -6.386 -0.859 1.00 32.41 N ATOM 1545 CA ARG B 402 6.112 -6.210 0.171 1.00 2.00 C ATOM 1546 C ARG B 402 7.070 -5.080 -0.199 1.00 10.01 C ATOM 1547 O ARG B 402 7.996 -5.271 -0.987 1.00 5.11 O ATOM 1548 CB ARG B 402 6.894 -7.509 0.374 1.00 3.22 C ATOM 1549 CG ARG B 402 6.785 -8.071 1.782 1.00 30.31 C ATOM 1550 CD ARG B 402 8.087 -7.909 2.549 1.00 1.52 C ATOM 1551 NE ARG B 402 9.204 -8.569 1.879 1.00 61.14 N ATOM 1552 CZ ARG B 402 10.330 -8.915 2.494 1.00 45.44 C ATOM 1553 NH1 ARG B 402 10.488 -8.663 3.786 1.00 1.10 N ATOM 1554 NH2 ARG B 402 11.301 -9.512 1.815 1.00 51.14 N ATOM 0 H ARG B 402 5.286 -7.145 -1.513 1.00 32.41 H new ATOM 0 HA ARG B 402 5.609 -5.948 1.102 1.00 2.00 H new ATOM 0 HB2 ARG B 402 6.534 -8.255 -0.335 1.00 3.22 H new ATOM 0 HB3 ARG B 402 7.944 -7.331 0.143 1.00 3.22 H new ATOM 0 HG2 ARG B 402 5.981 -7.564 2.316 1.00 30.31 H new ATOM 0 HG3 ARG B 402 6.519 -9.127 1.734 1.00 30.31 H new ATOM 0 HD2 ARG B 402 8.310 -6.848 2.665 1.00 1.52 H new ATOM 0 HD3 ARG B 402 7.971 -8.322 3.551 1.00 1.52 H new ATOM 0 HE ARG B 402 9.115 -8.776 0.884 1.00 61.14 H new ATOM 0 HH11 ARG B 402 9.744 -8.202 4.310 1.00 1.10 H new ATOM 0 HH12 ARG B 402 11.353 -8.930 4.256 1.00 1.10 H new ATOM 0 HH21 ARG B 402 11.183 -9.706 0.820 1.00 51.14 H new ATOM 0 HH22 ARG B 402 12.165 -9.777 2.288 1.00 51.14 H new ATOM 1568 N LEU B 403 6.838 -3.905 0.374 1.00 2.13 N ATOM 1569 CA LEU B 403 7.679 -2.744 0.105 1.00 5.11 C ATOM 1570 C LEU B 403 8.827 -2.659 1.106 1.00 41.32 C ATOM 1571 O LEU B 403 8.635 -2.852 2.306 1.00 12.13 O ATOM 1572 CB LEU B 403 6.846 -1.462 0.159 1.00 41.25 C ATOM 1573 CG LEU B 403 5.829 -1.275 -0.969 1.00 43.11 C ATOM 1574 CD1 LEU B 403 6.372 -1.834 -2.276 1.00 1.14 C ATOM 1575 CD2 LEU B 403 4.508 -1.938 -0.611 1.00 22.24 C ATOM 0 H LEU B 403 6.075 -3.731 1.028 1.00 2.13 H new ATOM 0 HA LEU B 403 8.100 -2.856 -0.894 1.00 5.11 H new ATOM 0 HB2 LEU B 403 6.313 -1.438 1.110 1.00 41.25 H new ATOM 0 HB3 LEU B 403 7.526 -0.610 0.153 1.00 41.25 H new ATOM 0 HG LEU B 403 5.653 -0.207 -1.100 1.00 43.11 H new ATOM 0 HD11 LEU B 403 5.635 -1.692 -3.066 1.00 1.14 H new ATOM 0 HD12 LEU B 403 7.292 -1.313 -2.540 1.00 1.14 H new ATOM 0 HD13 LEU B 403 6.578 -2.898 -2.159 1.00 1.14 H new ATOM 0 HD21 LEU B 403 3.797 -1.795 -1.425 1.00 22.24 H new ATOM 0 HD22 LEU B 403 4.668 -3.004 -0.452 1.00 22.24 H new ATOM 0 HD23 LEU B 403 4.112 -1.490 0.300 1.00 22.24 H new ATOM 1587 N THR B 404 10.024 -2.368 0.603 1.00 53.31 N ATOM 1588 CA THR B 404 11.203 -2.255 1.453 1.00 73.32 C ATOM 1589 C THR B 404 12.146 -1.172 0.944 1.00 14.54 C ATOM 1590 O THR B 404 12.282 -0.969 -0.262 1.00 72.54 O ATOM 1591 CB THR B 404 11.968 -3.590 1.529 1.00 21.24 C ATOM 1592 OG1 THR B 404 12.653 -3.833 0.296 1.00 61.43 O ATOM 1593 CG2 THR B 404 11.019 -4.742 1.823 1.00 13.31 C ATOM 0 H THR B 404 10.202 -2.207 -0.388 1.00 53.31 H new ATOM 0 HA THR B 404 10.851 -1.987 2.449 1.00 73.32 H new ATOM 0 HB THR B 404 12.693 -3.522 2.340 1.00 21.24 H new ATOM 0 HG1 THR B 404 12.865 -4.787 0.222 1.00 61.43 H new ATOM 0 HG21 THR B 404 11.582 -5.674 1.872 1.00 13.31 H new ATOM 0 HG22 THR B 404 10.521 -4.569 2.777 1.00 13.31 H new ATOM 0 HG23 THR B 404 10.273 -4.810 1.031 1.00 13.31 H new ATOM 1601 N ARG B 405 12.795 -0.476 1.872 1.00 2.41 N ATOM 1602 CA ARG B 405 13.725 0.590 1.517 1.00 64.31 C ATOM 1603 C ARG B 405 14.679 0.134 0.416 1.00 21.21 C ATOM 1604 O ARG B 405 15.210 -0.976 0.462 1.00 12.13 O ATOM 1605 CB ARG B 405 14.522 1.030 2.747 1.00 41.13 C ATOM 1606 CG ARG B 405 13.875 2.172 3.513 1.00 3.21 C ATOM 1607 CD ARG B 405 14.745 2.624 4.676 1.00 32.24 C ATOM 1608 NE ARG B 405 16.136 2.816 4.278 1.00 4.22 N ATOM 1609 CZ ARG B 405 16.550 3.821 3.515 1.00 20.24 C ATOM 1610 NH1 ARG B 405 15.683 4.721 3.071 1.00 63.22 N ATOM 1611 NH2 ARG B 405 17.833 3.929 3.195 1.00 23.32 N ATOM 0 H ARG B 405 12.694 -0.631 2.875 1.00 2.41 H new ATOM 0 HA ARG B 405 13.146 1.436 1.146 1.00 64.31 H new ATOM 0 HB2 ARG B 405 14.643 0.178 3.415 1.00 41.13 H new ATOM 0 HB3 ARG B 405 15.521 1.334 2.433 1.00 41.13 H new ATOM 0 HG2 ARG B 405 13.701 3.011 2.839 1.00 3.21 H new ATOM 0 HG3 ARG B 405 12.901 1.856 3.887 1.00 3.21 H new ATOM 0 HD2 ARG B 405 14.352 3.557 5.081 1.00 32.24 H new ATOM 0 HD3 ARG B 405 14.696 1.884 5.474 1.00 32.24 H new ATOM 0 HE ARG B 405 16.828 2.141 4.604 1.00 4.22 H new ATOM 0 HH11 ARG B 405 14.696 4.642 3.315 1.00 63.22 H new ATOM 0 HH12 ARG B 405 16.003 5.492 2.485 1.00 63.22 H new ATOM 0 HH21 ARG B 405 18.503 3.239 3.535 1.00 23.32 H new ATOM 0 HH22 ARG B 405 18.149 4.702 2.609 1.00 23.32 H new