USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 830 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 644 GLN : amide:sc= -0.86 K(o=-0.45,f=0.33) USER MOD Set 1.2: A 714 TYR OH : rot -158:sc= 0.405 USER MOD Set 2.1: A 692 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 711 ASN : amide:sc= -0.0362 K(o=-2.5,f=-1.4) USER MOD Set 2.3: A 715 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1.4) USER MOD Set 3.1: A 640 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 654 ASN : amide:sc= 0.335 K(o=0.34,f=-7.2!) USER MOD Single : A 587 THR OG1 : rot -145:sc= 1.16 USER MOD Single : A 591 ASN : amide:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : A 593 THR OG1 : rot -71:sc= 0.0503 USER MOD Single : A 597 SER OG : rot 180:sc= 0.00561 USER MOD Single : A 598 GLN : amide:sc= 0.134 X(o=0.13,f=-0.055) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot -170:sc= -0.396 USER MOD Single : A 609 THR OG1 : rot -53:sc= 1.2 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 24:sc= 0.0397 USER MOD Single : A 615 LYS NZ :NH3+ 152:sc= 1.1 (180deg=0.547) USER MOD Single : A 618 THR OG1 : rot -32:sc= 0.287 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-7!) USER MOD Single : A 626 ASN : amide:sc= 1.23 K(o=1.2,f=-5.6!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 646 SER OG : rot 180:sc= 0.895 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.806) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 659 ASN : amide:sc= -0.268 K(o=-0.27,f=-5.3!) USER MOD Single : A 661 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0795) USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot -166:sc= 0.056 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -128:sc= -1.08 (180deg=-4.12!) USER MOD Single : A 670 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.1) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -140:sc= 1.23 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 679 TYR OH : rot 50:sc= -2.6! USER MOD Single : A 685 THR OG1 : rot 36:sc= 0.114 USER MOD Single : A 689 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.499 USER MOD Single : A 707 GLN : amide:sc= -4.98! C(o=-5!,f=-5.4!) USER MOD Single : A 712 SER OG : rot -1:sc= 1.23 USER MOD Single : A 713 THR OG1 : rot 160:sc= -0.0389 USER MOD Single : A 719 TYR OH : rot 180:sc= 0 USER MOD Single : A 720 THR OG1 : rot 100:sc= 1.12 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -15.857 -8.103 -0.304 1.00 74.03 N ATOM 137 CA THR A 587 -16.470 -7.845 0.960 1.00 52.31 C ATOM 138 C THR A 587 -15.868 -6.555 1.502 1.00 65.13 C ATOM 139 O THR A 587 -14.682 -6.270 1.255 1.00 42.14 O ATOM 140 CB THR A 587 -16.236 -8.985 1.984 1.00 54.22 C ATOM 141 OG1 THR A 587 -17.016 -8.756 3.165 1.00 3.33 O ATOM 142 CG2 THR A 587 -14.785 -9.032 2.369 1.00 31.53 C ATOM 0 HA THR A 587 -17.548 -7.769 0.815 1.00 52.31 H new ATOM 0 HB THR A 587 -16.532 -9.929 1.526 1.00 54.22 H new ATOM 0 HG1 THR A 587 -16.521 -9.071 3.950 1.00 3.33 H new ATOM 0 HG21 THR A 587 -14.625 -9.835 3.089 1.00 31.53 H new ATOM 0 HG22 THR A 587 -14.179 -9.214 1.482 1.00 31.53 H new ATOM 0 HG23 THR A 587 -14.496 -8.081 2.816 1.00 31.53 H new ATOM 148 N GLU A 588 -16.654 -5.752 2.139 1.00 31.04 N ATOM 149 CA GLU A 588 -16.115 -4.597 2.788 1.00 34.20 C ATOM 150 C GLU A 588 -16.085 -4.883 4.280 1.00 15.14 C ATOM 151 O GLU A 588 -17.108 -5.227 4.872 1.00 33.04 O ATOM 152 CB GLU A 588 -16.920 -3.342 2.463 1.00 41.43 C ATOM 153 CG GLU A 588 -16.328 -2.080 3.056 1.00 21.40 C ATOM 154 CD GLU A 588 -17.056 -0.839 2.633 1.00 12.30 C ATOM 155 OE1 GLU A 588 -16.682 -0.253 1.598 1.00 4.12 O ATOM 156 OE2 GLU A 588 -18.016 -0.429 3.320 1.00 1.41 O ATOM 0 H GLU A 588 -17.663 -5.870 2.226 1.00 31.04 H new ATOM 0 HA GLU A 588 -15.105 -4.399 2.428 1.00 34.20 H new ATOM 0 HB2 GLU A 588 -16.985 -3.231 1.381 1.00 41.43 H new ATOM 0 HB3 GLU A 588 -17.938 -3.466 2.832 1.00 41.43 H new ATOM 0 HG2 GLU A 588 -16.346 -2.153 4.143 1.00 21.40 H new ATOM 0 HG3 GLU A 588 -15.282 -2.001 2.759 1.00 21.40 H new ATOM 163 N GLY A 589 -14.916 -4.797 4.864 1.00 61.21 N ATOM 164 CA GLY A 589 -14.764 -5.131 6.256 1.00 35.55 C ATOM 165 C GLY A 589 -14.918 -3.959 7.188 1.00 20.03 C ATOM 166 O GLY A 589 -15.771 -3.081 6.983 1.00 22.52 O ATOM 0 H GLY A 589 -14.059 -4.499 4.398 1.00 61.21 H new ATOM 0 HA2 GLY A 589 -15.500 -5.890 6.519 1.00 35.55 H new ATOM 0 HA3 GLY A 589 -13.780 -5.575 6.407 1.00 35.55 H new ATOM 170 N ASP A 590 -14.078 -3.941 8.196 1.00 65.14 N ATOM 171 CA ASP A 590 -14.110 -2.946 9.253 1.00 21.42 C ATOM 172 C ASP A 590 -12.803 -2.199 9.280 1.00 21.12 C ATOM 173 O ASP A 590 -12.005 -2.317 8.356 1.00 24.41 O ATOM 174 CB ASP A 590 -14.330 -3.616 10.627 1.00 3.32 C ATOM 175 CG ASP A 590 -15.667 -4.302 10.782 1.00 71.21 C ATOM 176 OD1 ASP A 590 -15.787 -5.510 10.442 1.00 62.12 O ATOM 177 OD2 ASP A 590 -16.615 -3.650 11.264 1.00 45.42 O ATOM 0 H ASP A 590 -13.335 -4.631 8.311 1.00 65.14 H new ATOM 0 HA ASP A 590 -14.933 -2.260 9.055 1.00 21.42 H new ATOM 0 HB2 ASP A 590 -13.539 -4.348 10.791 1.00 3.32 H new ATOM 0 HB3 ASP A 590 -14.231 -2.860 11.406 1.00 3.32 H new ATOM 182 N ASN A 591 -12.580 -1.442 10.338 1.00 55.24 N ATOM 183 CA ASN A 591 -11.355 -0.666 10.512 1.00 22.12 C ATOM 184 C ASN A 591 -10.123 -1.568 10.568 1.00 62.13 C ATOM 185 O ASN A 591 -9.974 -2.364 11.506 1.00 24.05 O ATOM 186 CB ASN A 591 -11.436 0.188 11.796 1.00 35.03 C ATOM 187 CG ASN A 591 -10.158 0.982 12.083 1.00 74.21 C ATOM 188 OD1 ASN A 591 -9.999 2.116 11.631 1.00 2.43 O ATOM 189 ND2 ASN A 591 -9.263 0.409 12.852 1.00 30.50 N ATOM 0 H ASN A 591 -13.243 -1.344 11.107 1.00 55.24 H new ATOM 0 HA ASN A 591 -11.257 -0.010 9.647 1.00 22.12 H new ATOM 0 HB2 ASN A 591 -12.273 0.881 11.710 1.00 35.03 H new ATOM 0 HB3 ASN A 591 -11.647 -0.464 12.644 1.00 35.03 H new ATOM 0 HD21 ASN A 591 -8.404 0.905 13.092 1.00 30.50 H new ATOM 0 HD22 ASN A 591 -9.426 -0.532 13.210 1.00 30.50 H new ATOM 195 N CYS A 592 -9.286 -1.490 9.522 1.00 74.41 N ATOM 196 CA CYS A 592 -7.993 -2.190 9.455 1.00 60.45 C ATOM 197 C CYS A 592 -8.153 -3.715 9.454 1.00 74.15 C ATOM 198 O CYS A 592 -7.168 -4.465 9.526 1.00 13.23 O ATOM 199 CB CYS A 592 -7.082 -1.750 10.617 1.00 2.34 C ATOM 200 SG CYS A 592 -6.581 0.018 10.640 1.00 44.04 S ATOM 0 H CYS A 592 -9.489 -0.934 8.691 1.00 74.41 H new ATOM 0 HA CYS A 592 -7.529 -1.913 8.508 1.00 60.45 H new ATOM 0 HB2 CYS A 592 -7.592 -1.972 11.554 1.00 2.34 H new ATOM 0 HB3 CYS A 592 -6.179 -2.360 10.593 1.00 2.34 H new ATOM 205 N THR A 593 -9.374 -4.171 9.318 1.00 30.22 N ATOM 206 CA THR A 593 -9.672 -5.568 9.376 1.00 25.11 C ATOM 207 C THR A 593 -10.645 -5.936 8.278 1.00 24.52 C ATOM 208 O THR A 593 -11.488 -5.131 7.889 1.00 33.22 O ATOM 209 CB THR A 593 -10.258 -5.938 10.764 1.00 3.53 C ATOM 210 OG1 THR A 593 -11.310 -5.014 11.114 1.00 74.34 O ATOM 211 CG2 THR A 593 -9.181 -5.907 11.838 1.00 74.54 C ATOM 0 H THR A 593 -10.188 -3.575 9.164 1.00 30.22 H new ATOM 0 HA THR A 593 -8.750 -6.130 9.231 1.00 25.11 H new ATOM 0 HB THR A 593 -10.659 -6.950 10.703 1.00 3.53 H new ATOM 0 HG1 THR A 593 -10.921 -4.138 11.319 1.00 74.34 H new ATOM 0 HG21 THR A 593 -9.619 -6.170 12.801 1.00 74.54 H new ATOM 0 HG22 THR A 593 -8.397 -6.622 11.588 1.00 74.54 H new ATOM 0 HG23 THR A 593 -8.753 -4.906 11.896 1.00 74.54 H new ATOM 217 N VAL A 594 -10.528 -7.123 7.771 1.00 33.51 N ATOM 218 CA VAL A 594 -11.405 -7.550 6.736 1.00 11.53 C ATOM 219 C VAL A 594 -12.040 -8.864 7.106 1.00 72.10 C ATOM 220 O VAL A 594 -11.384 -9.747 7.663 1.00 51.31 O ATOM 221 CB VAL A 594 -10.689 -7.662 5.348 1.00 12.53 C ATOM 222 CG1 VAL A 594 -9.617 -8.745 5.320 1.00 62.20 C ATOM 223 CG2 VAL A 594 -11.693 -7.847 4.226 1.00 41.24 C ATOM 0 H VAL A 594 -9.832 -7.811 8.059 1.00 33.51 H new ATOM 0 HA VAL A 594 -12.177 -6.788 6.633 1.00 11.53 H new ATOM 0 HB VAL A 594 -10.172 -6.716 5.188 1.00 12.53 H new ATOM 0 HG11 VAL A 594 -9.156 -8.775 4.333 1.00 62.20 H new ATOM 0 HG12 VAL A 594 -8.857 -8.524 6.069 1.00 62.20 H new ATOM 0 HG13 VAL A 594 -10.071 -9.712 5.538 1.00 62.20 H new ATOM 0 HG21 VAL A 594 -11.166 -7.922 3.275 1.00 41.24 H new ATOM 0 HG22 VAL A 594 -12.265 -8.759 4.396 1.00 41.24 H new ATOM 0 HG23 VAL A 594 -12.370 -6.993 4.200 1.00 41.24 H new ATOM 229 N PHE A 595 -13.299 -8.979 6.848 1.00 71.31 N ATOM 230 CA PHE A 595 -13.988 -10.204 7.037 1.00 31.33 C ATOM 231 C PHE A 595 -14.794 -10.492 5.817 1.00 25.01 C ATOM 232 O PHE A 595 -15.582 -9.658 5.369 1.00 23.23 O ATOM 233 CB PHE A 595 -14.842 -10.219 8.319 1.00 3.21 C ATOM 234 CG PHE A 595 -15.676 -11.467 8.461 1.00 61.32 C ATOM 235 CD1 PHE A 595 -15.119 -12.709 8.230 1.00 44.24 C ATOM 236 CD2 PHE A 595 -17.015 -11.393 8.787 1.00 52.54 C ATOM 237 CE1 PHE A 595 -15.862 -13.851 8.322 1.00 24.44 C ATOM 238 CE2 PHE A 595 -17.772 -12.539 8.883 1.00 10.40 C ATOM 239 CZ PHE A 595 -17.189 -13.772 8.647 1.00 14.34 C ATOM 0 H PHE A 595 -13.881 -8.218 6.497 1.00 71.31 H new ATOM 0 HA PHE A 595 -13.256 -10.998 7.181 1.00 31.33 H new ATOM 0 HB2 PHE A 595 -14.187 -10.127 9.185 1.00 3.21 H new ATOM 0 HB3 PHE A 595 -15.498 -9.349 8.321 1.00 3.21 H new ATOM 0 HD1 PHE A 595 -14.073 -12.779 7.971 1.00 44.24 H new ATOM 0 HD2 PHE A 595 -17.471 -10.431 8.968 1.00 52.54 H new ATOM 0 HE1 PHE A 595 -15.405 -14.812 8.139 1.00 24.44 H new ATOM 0 HE2 PHE A 595 -18.819 -12.476 9.142 1.00 10.40 H new ATOM 0 HZ PHE A 595 -17.782 -14.672 8.719 1.00 14.34 H new ATOM 249 N ASP A 596 -14.585 -11.645 5.275 1.00 44.34 N ATOM 250 CA ASP A 596 -15.218 -12.026 4.067 1.00 51.34 C ATOM 251 C ASP A 596 -16.262 -13.088 4.307 1.00 52.51 C ATOM 252 O ASP A 596 -15.977 -14.130 4.897 1.00 74.14 O ATOM 253 CB ASP A 596 -14.187 -12.516 3.099 1.00 62.04 C ATOM 254 CG ASP A 596 -14.806 -12.773 1.794 1.00 42.12 C ATOM 255 OD1 ASP A 596 -15.383 -13.779 1.671 1.00 22.42 O ATOM 256 OD2 ASP A 596 -14.766 -11.917 0.897 1.00 54.23 O ATOM 0 H ASP A 596 -13.963 -12.353 5.666 1.00 44.34 H new ATOM 0 HA ASP A 596 -15.725 -11.156 3.650 1.00 51.34 H new ATOM 0 HB2 ASP A 596 -13.393 -11.776 2.995 1.00 62.04 H new ATOM 0 HB3 ASP A 596 -13.725 -13.428 3.478 1.00 62.04 H new ATOM 261 N SER A 597 -17.464 -12.817 3.858 1.00 10.31 N ATOM 262 CA SER A 597 -18.582 -13.712 4.019 1.00 64.32 C ATOM 263 C SER A 597 -18.484 -14.993 3.158 1.00 42.32 C ATOM 264 O SER A 597 -18.930 -16.072 3.587 1.00 23.41 O ATOM 265 CB SER A 597 -19.883 -12.960 3.770 1.00 2.02 C ATOM 266 OG SER A 597 -19.855 -12.286 2.520 1.00 62.22 O ATOM 0 H SER A 597 -17.695 -11.955 3.363 1.00 10.31 H new ATOM 0 HA SER A 597 -18.563 -14.067 5.049 1.00 64.32 H new ATOM 0 HB2 SER A 597 -20.720 -13.658 3.791 1.00 2.02 H new ATOM 0 HB3 SER A 597 -20.049 -12.240 4.571 1.00 2.02 H new ATOM 0 HG SER A 597 -20.702 -11.813 2.384 1.00 62.22 H new ATOM 272 N GLN A 598 -17.888 -14.888 1.966 1.00 61.51 N ATOM 273 CA GLN A 598 -17.801 -16.024 1.064 1.00 13.31 C ATOM 274 C GLN A 598 -16.651 -16.929 1.478 1.00 2.04 C ATOM 275 O GLN A 598 -16.733 -18.154 1.362 1.00 44.33 O ATOM 276 CB GLN A 598 -17.634 -15.569 -0.409 1.00 25.20 C ATOM 277 CG GLN A 598 -16.379 -14.774 -0.664 1.00 63.23 C ATOM 278 CD GLN A 598 -16.234 -14.138 -2.006 1.00 62.31 C ATOM 279 OE1 GLN A 598 -16.728 -14.635 -3.022 1.00 55.10 O ATOM 280 NE2 GLN A 598 -15.569 -12.995 -2.014 1.00 2.42 N ATOM 0 H GLN A 598 -17.463 -14.031 1.612 1.00 61.51 H new ATOM 0 HA GLN A 598 -18.735 -16.582 1.130 1.00 13.31 H new ATOM 0 HB2 GLN A 598 -17.632 -16.449 -1.053 1.00 25.20 H new ATOM 0 HB3 GLN A 598 -18.497 -14.968 -0.693 1.00 25.20 H new ATOM 0 HG2 GLN A 598 -16.318 -13.989 0.090 1.00 63.23 H new ATOM 0 HG3 GLN A 598 -15.525 -15.433 -0.509 1.00 63.23 H new ATOM 0 HE21 GLN A 598 -15.179 -12.626 -1.147 1.00 2.42 H new ATOM 0 HE22 GLN A 598 -15.446 -12.483 -2.887 1.00 2.42 H new ATOM 288 N ALA A 599 -15.589 -16.317 1.970 1.00 43.21 N ATOM 289 CA ALA A 599 -14.422 -17.028 2.400 1.00 61.22 C ATOM 290 C ALA A 599 -14.635 -17.547 3.813 1.00 21.03 C ATOM 291 O ALA A 599 -14.011 -18.511 4.245 1.00 51.41 O ATOM 292 CB ALA A 599 -13.223 -16.071 2.369 1.00 61.23 C ATOM 0 H ALA A 599 -15.522 -15.305 2.079 1.00 43.21 H new ATOM 0 HA ALA A 599 -14.234 -17.874 1.739 1.00 61.22 H new ATOM 0 HB1 ALA A 599 -12.327 -16.600 2.694 1.00 61.23 H new ATOM 0 HB2 ALA A 599 -13.078 -15.702 1.354 1.00 61.23 H new ATOM 0 HB3 ALA A 599 -13.411 -15.230 3.037 1.00 61.23 H new ATOM 298 N GLY A 600 -15.557 -16.910 4.507 1.00 50.22 N ATOM 299 CA GLY A 600 -15.959 -17.331 5.832 1.00 52.33 C ATOM 300 C GLY A 600 -14.905 -17.100 6.905 1.00 62.31 C ATOM 301 O GLY A 600 -15.015 -17.642 8.008 1.00 45.50 O ATOM 0 H GLY A 600 -16.049 -16.084 4.166 1.00 50.22 H new ATOM 0 HA2 GLY A 600 -16.868 -16.798 6.110 1.00 52.33 H new ATOM 0 HA3 GLY A 600 -16.207 -18.392 5.805 1.00 52.33 H new ATOM 305 N PHE A 601 -13.922 -16.280 6.612 1.00 15.33 N ATOM 306 CA PHE A 601 -12.862 -16.002 7.562 1.00 22.41 C ATOM 307 C PHE A 601 -12.419 -14.552 7.525 1.00 15.33 C ATOM 308 O PHE A 601 -12.670 -13.834 6.540 1.00 3.14 O ATOM 309 CB PHE A 601 -11.679 -17.001 7.467 1.00 4.51 C ATOM 310 CG PHE A 601 -11.183 -17.313 6.076 1.00 11.34 C ATOM 311 CD1 PHE A 601 -10.713 -16.325 5.240 1.00 32.24 C ATOM 312 CD2 PHE A 601 -11.177 -18.619 5.624 1.00 63.24 C ATOM 313 CE1 PHE A 601 -10.249 -16.633 3.976 1.00 61.40 C ATOM 314 CE2 PHE A 601 -10.716 -18.933 4.363 1.00 51.31 C ATOM 315 CZ PHE A 601 -10.251 -17.938 3.538 1.00 61.30 C ATOM 0 H PHE A 601 -13.832 -15.791 5.721 1.00 15.33 H new ATOM 0 HA PHE A 601 -13.294 -16.163 8.550 1.00 22.41 H new ATOM 0 HB2 PHE A 601 -10.846 -16.603 8.047 1.00 4.51 H new ATOM 0 HB3 PHE A 601 -11.980 -17.935 7.941 1.00 4.51 H new ATOM 0 HD1 PHE A 601 -10.707 -15.299 5.576 1.00 32.24 H new ATOM 0 HD2 PHE A 601 -11.539 -19.406 6.269 1.00 63.24 H new ATOM 0 HE1 PHE A 601 -9.884 -15.848 3.330 1.00 61.40 H new ATOM 0 HE2 PHE A 601 -10.721 -19.959 4.025 1.00 51.31 H new ATOM 0 HZ PHE A 601 -9.888 -18.179 2.550 1.00 61.30 H new ATOM 325 N SER A 602 -11.781 -14.121 8.590 1.00 12.32 N ATOM 326 CA SER A 602 -11.393 -12.749 8.743 1.00 73.42 C ATOM 327 C SER A 602 -9.880 -12.601 8.846 1.00 63.22 C ATOM 328 O SER A 602 -9.180 -13.520 9.272 1.00 12.31 O ATOM 329 CB SER A 602 -12.093 -12.151 9.980 1.00 32.21 C ATOM 330 OG SER A 602 -11.757 -12.868 11.169 1.00 35.32 O ATOM 0 H SER A 602 -11.519 -14.719 9.373 1.00 12.32 H new ATOM 0 HA SER A 602 -11.705 -12.200 7.855 1.00 73.42 H new ATOM 0 HB2 SER A 602 -11.807 -11.105 10.091 1.00 32.21 H new ATOM 0 HB3 SER A 602 -13.173 -12.172 9.834 1.00 32.21 H new ATOM 0 HG SER A 602 -12.215 -12.464 11.935 1.00 35.32 H new ATOM 336 N PHE A 603 -9.393 -11.453 8.436 1.00 72.40 N ATOM 337 CA PHE A 603 -7.985 -11.115 8.482 1.00 41.33 C ATOM 338 C PHE A 603 -7.804 -9.734 9.083 1.00 21.41 C ATOM 339 O PHE A 603 -8.667 -8.856 8.917 1.00 10.33 O ATOM 340 CB PHE A 603 -7.368 -11.132 7.075 1.00 54.31 C ATOM 341 CG PHE A 603 -7.161 -12.492 6.469 1.00 42.45 C ATOM 342 CD1 PHE A 603 -8.196 -13.200 5.849 1.00 24.34 C ATOM 343 CD2 PHE A 603 -5.900 -13.060 6.498 1.00 72.33 C ATOM 344 CE1 PHE A 603 -7.947 -14.426 5.291 1.00 42.10 C ATOM 345 CE2 PHE A 603 -5.665 -14.288 5.938 1.00 44.30 C ATOM 346 CZ PHE A 603 -6.691 -14.967 5.335 1.00 14.42 C ATOM 0 H PHE A 603 -9.976 -10.709 8.052 1.00 72.40 H new ATOM 0 HA PHE A 603 -7.481 -11.859 9.098 1.00 41.33 H new ATOM 0 HB2 PHE A 603 -8.009 -10.552 6.411 1.00 54.31 H new ATOM 0 HB3 PHE A 603 -6.405 -10.622 7.114 1.00 54.31 H new ATOM 0 HD1 PHE A 603 -9.190 -12.780 5.810 1.00 24.34 H new ATOM 0 HD2 PHE A 603 -5.088 -12.527 6.970 1.00 72.33 H new ATOM 0 HE1 PHE A 603 -8.748 -14.970 4.813 1.00 42.10 H new ATOM 0 HE2 PHE A 603 -4.675 -14.719 5.972 1.00 44.30 H new ATOM 0 HZ PHE A 603 -6.507 -15.935 4.892 1.00 14.42 H new ATOM 356 N ASP A 604 -6.729 -9.541 9.799 1.00 1.34 N ATOM 357 CA ASP A 604 -6.404 -8.241 10.362 1.00 63.45 C ATOM 358 C ASP A 604 -5.032 -7.846 9.869 1.00 65.42 C ATOM 359 O ASP A 604 -4.034 -8.537 10.101 1.00 45.22 O ATOM 360 CB ASP A 604 -6.475 -8.245 11.912 1.00 61.32 C ATOM 361 CG ASP A 604 -5.360 -8.987 12.600 1.00 33.14 C ATOM 362 OD1 ASP A 604 -5.320 -10.237 12.534 1.00 33.34 O ATOM 363 OD2 ASP A 604 -4.516 -8.327 13.231 1.00 63.22 O ATOM 0 H ASP A 604 -6.051 -10.272 10.013 1.00 1.34 H new ATOM 0 HA ASP A 604 -7.141 -7.508 10.033 1.00 63.45 H new ATOM 0 HB2 ASP A 604 -6.475 -7.213 12.263 1.00 61.32 H new ATOM 0 HB3 ASP A 604 -7.425 -8.685 12.216 1.00 61.32 H new ATOM 368 N LEU A 605 -4.979 -6.773 9.137 1.00 4.05 N ATOM 369 CA LEU A 605 -3.721 -6.303 8.578 1.00 74.01 C ATOM 370 C LEU A 605 -3.259 -5.090 9.344 1.00 73.51 C ATOM 371 O LEU A 605 -2.441 -4.304 8.896 1.00 5.34 O ATOM 372 CB LEU A 605 -3.852 -6.042 7.077 1.00 62.03 C ATOM 373 CG LEU A 605 -4.236 -7.272 6.230 1.00 63.22 C ATOM 374 CD1 LEU A 605 -4.261 -6.933 4.762 1.00 43.14 C ATOM 375 CD2 LEU A 605 -3.286 -8.439 6.484 1.00 34.05 C ATOM 0 H LEU A 605 -5.788 -6.197 8.906 1.00 4.05 H new ATOM 0 HA LEU A 605 -2.959 -7.075 8.683 1.00 74.01 H new ATOM 0 HB2 LEU A 605 -4.602 -5.266 6.923 1.00 62.03 H new ATOM 0 HB3 LEU A 605 -2.905 -5.648 6.709 1.00 62.03 H new ATOM 0 HG LEU A 605 -5.238 -7.574 6.533 1.00 63.22 H new ATOM 0 HD11 LEU A 605 -4.535 -7.819 4.189 1.00 43.14 H new ATOM 0 HD12 LEU A 605 -4.992 -6.145 4.583 1.00 43.14 H new ATOM 0 HD13 LEU A 605 -3.274 -6.590 4.451 1.00 43.14 H new ATOM 0 HD21 LEU A 605 -3.584 -9.290 5.872 1.00 34.05 H new ATOM 0 HD22 LEU A 605 -2.269 -8.144 6.225 1.00 34.05 H new ATOM 0 HD23 LEU A 605 -3.325 -8.718 7.537 1.00 34.05 H new ATOM 383 N THR A 606 -3.766 -5.019 10.527 1.00 22.15 N ATOM 384 CA THR A 606 -3.521 -3.994 11.489 1.00 11.52 C ATOM 385 C THR A 606 -1.990 -3.859 11.828 1.00 4.21 C ATOM 386 O THR A 606 -1.481 -2.744 11.897 1.00 13.34 O ATOM 387 CB THR A 606 -4.304 -4.358 12.749 1.00 50.05 C ATOM 388 OG1 THR A 606 -5.451 -5.137 12.349 1.00 73.14 O ATOM 389 CG2 THR A 606 -4.829 -3.117 13.399 1.00 41.40 C ATOM 0 H THR A 606 -4.411 -5.728 10.875 1.00 22.15 H new ATOM 0 HA THR A 606 -3.839 -3.033 11.085 1.00 11.52 H new ATOM 0 HB THR A 606 -3.653 -4.901 13.435 1.00 50.05 H new ATOM 0 HG1 THR A 606 -6.053 -5.250 13.114 1.00 73.14 H new ATOM 0 HG21 THR A 606 -5.386 -3.384 14.297 1.00 41.40 H new ATOM 0 HG22 THR A 606 -3.996 -2.467 13.669 1.00 41.40 H new ATOM 0 HG23 THR A 606 -5.487 -2.594 12.706 1.00 41.40 H new ATOM 395 N PRO A 607 -1.220 -5.001 12.050 1.00 51.21 N ATOM 396 CA PRO A 607 0.242 -4.932 12.293 1.00 72.15 C ATOM 397 C PRO A 607 1.004 -4.355 11.092 1.00 13.25 C ATOM 398 O PRO A 607 2.147 -3.921 11.215 1.00 54.12 O ATOM 399 CB PRO A 607 0.650 -6.396 12.515 1.00 52.31 C ATOM 400 CG PRO A 607 -0.606 -7.087 12.900 1.00 31.14 C ATOM 401 CD PRO A 607 -1.695 -6.408 12.134 1.00 5.44 C ATOM 0 HA PRO A 607 0.476 -4.278 13.133 1.00 72.15 H new ATOM 0 HB2 PRO A 607 1.078 -6.829 11.611 1.00 52.31 H new ATOM 0 HB3 PRO A 607 1.404 -6.482 13.297 1.00 52.31 H new ATOM 0 HG2 PRO A 607 -0.559 -8.148 12.656 1.00 31.14 H new ATOM 0 HG3 PRO A 607 -0.779 -7.014 13.974 1.00 31.14 H new ATOM 0 HD2 PRO A 607 -1.828 -6.848 11.146 1.00 5.44 H new ATOM 0 HD3 PRO A 607 -2.654 -6.480 12.647 1.00 5.44 H new ATOM 409 N LEU A 608 0.364 -4.384 9.937 1.00 72.32 N ATOM 410 CA LEU A 608 0.950 -3.897 8.692 1.00 41.22 C ATOM 411 C LEU A 608 0.883 -2.374 8.603 1.00 44.40 C ATOM 412 O LEU A 608 1.584 -1.760 7.802 1.00 54.24 O ATOM 413 CB LEU A 608 0.273 -4.541 7.456 1.00 21.21 C ATOM 414 CG LEU A 608 0.554 -6.037 7.168 1.00 50.01 C ATOM 415 CD1 LEU A 608 0.025 -6.948 8.262 1.00 45.24 C ATOM 416 CD2 LEU A 608 -0.021 -6.428 5.818 1.00 4.10 C ATOM 0 H LEU A 608 -0.583 -4.748 9.831 1.00 72.32 H new ATOM 0 HA LEU A 608 1.999 -4.192 8.696 1.00 41.22 H new ATOM 0 HB2 LEU A 608 -0.805 -4.419 7.564 1.00 21.21 H new ATOM 0 HB3 LEU A 608 0.572 -3.970 6.577 1.00 21.21 H new ATOM 0 HG LEU A 608 1.636 -6.166 7.147 1.00 50.01 H new ATOM 0 HD11 LEU A 608 0.248 -7.985 8.011 1.00 45.24 H new ATOM 0 HD12 LEU A 608 0.501 -6.693 9.209 1.00 45.24 H new ATOM 0 HD13 LEU A 608 -1.054 -6.820 8.352 1.00 45.24 H new ATOM 0 HD21 LEU A 608 0.183 -7.482 5.627 1.00 4.10 H new ATOM 0 HD22 LEU A 608 -1.098 -6.261 5.819 1.00 4.10 H new ATOM 0 HD23 LEU A 608 0.439 -5.822 5.037 1.00 4.10 H new ATOM 424 N THR A 609 0.037 -1.786 9.420 1.00 71.41 N ATOM 425 CA THR A 609 -0.127 -0.347 9.484 1.00 75.24 C ATOM 426 C THR A 609 1.070 0.281 10.186 1.00 61.04 C ATOM 427 O THR A 609 1.512 -0.200 11.231 1.00 50.31 O ATOM 428 CB THR A 609 -1.412 0.004 10.276 1.00 32.52 C ATOM 429 OG1 THR A 609 -2.547 -0.667 9.698 1.00 55.24 O ATOM 430 CG2 THR A 609 -1.663 1.508 10.285 1.00 24.25 C ATOM 0 H THR A 609 -0.564 -2.298 10.066 1.00 71.41 H new ATOM 0 HA THR A 609 -0.203 0.040 8.468 1.00 75.24 H new ATOM 0 HB THR A 609 -1.272 -0.329 11.304 1.00 32.52 H new ATOM 0 HG1 THR A 609 -2.593 -0.465 8.740 1.00 55.24 H new ATOM 0 HG21 THR A 609 -2.571 1.722 10.848 1.00 24.25 H new ATOM 0 HG22 THR A 609 -0.819 2.015 10.752 1.00 24.25 H new ATOM 0 HG23 THR A 609 -1.779 1.864 9.261 1.00 24.25 H new ATOM 436 N LYS A 610 1.590 1.337 9.613 1.00 72.41 N ATOM 437 CA LYS A 610 2.690 2.044 10.197 1.00 41.24 C ATOM 438 C LYS A 610 2.407 3.513 10.172 1.00 63.33 C ATOM 439 O LYS A 610 1.860 4.021 9.206 1.00 14.33 O ATOM 440 CB LYS A 610 3.973 1.811 9.414 1.00 15.11 C ATOM 441 CG LYS A 610 4.487 0.390 9.380 1.00 4.04 C ATOM 442 CD LYS A 610 5.791 0.307 8.599 1.00 15.12 C ATOM 443 CE LYS A 610 6.911 1.092 9.253 1.00 53.05 C ATOM 444 NZ LYS A 610 8.147 1.030 8.462 1.00 31.53 N ATOM 0 H LYS A 610 1.260 1.726 8.730 1.00 72.41 H new ATOM 0 HA LYS A 610 2.814 1.680 11.217 1.00 41.24 H new ATOM 0 HB2 LYS A 610 3.813 2.142 8.388 1.00 15.11 H new ATOM 0 HB3 LYS A 610 4.752 2.447 9.836 1.00 15.11 H new ATOM 0 HG2 LYS A 610 4.643 0.030 10.397 1.00 4.04 H new ATOM 0 HG3 LYS A 610 3.742 -0.261 8.923 1.00 4.04 H new ATOM 0 HD2 LYS A 610 6.090 -0.737 8.507 1.00 15.12 H new ATOM 0 HD3 LYS A 610 5.630 0.683 7.589 1.00 15.12 H new ATOM 0 HE2 LYS A 610 6.606 2.132 9.372 1.00 53.05 H new ATOM 0 HE3 LYS A 610 7.097 0.698 10.252 1.00 53.05 H new ATOM 0 HZ1 LYS A 610 8.892 1.578 8.938 1.00 31.53 H new ATOM 0 HZ2 LYS A 610 8.451 0.040 8.370 1.00 31.53 H new ATOM 0 HZ3 LYS A 610 7.975 1.429 7.517 1.00 31.53 H new ATOM 458 N LYS A 611 2.810 4.203 11.205 1.00 41.34 N ATOM 459 CA LYS A 611 2.656 5.640 11.257 1.00 13.44 C ATOM 460 C LYS A 611 3.621 6.258 10.272 1.00 73.31 C ATOM 461 O LYS A 611 3.306 7.213 9.566 1.00 75.01 O ATOM 462 CB LYS A 611 2.999 6.143 12.632 1.00 74.30 C ATOM 463 CG LYS A 611 2.690 7.613 12.837 1.00 74.31 C ATOM 464 CD LYS A 611 3.162 8.087 14.184 1.00 33.53 C ATOM 465 CE LYS A 611 2.833 9.542 14.398 1.00 51.12 C ATOM 466 NZ LYS A 611 3.368 10.036 15.679 1.00 33.24 N ATOM 0 H LYS A 611 3.251 3.794 12.029 1.00 41.34 H new ATOM 0 HA LYS A 611 1.626 5.905 11.017 1.00 13.44 H new ATOM 0 HB2 LYS A 611 2.450 5.559 13.371 1.00 74.30 H new ATOM 0 HB3 LYS A 611 4.060 5.974 12.817 1.00 74.30 H new ATOM 0 HG2 LYS A 611 3.169 8.200 12.054 1.00 74.31 H new ATOM 0 HG3 LYS A 611 1.616 7.777 12.747 1.00 74.31 H new ATOM 0 HD2 LYS A 611 2.697 7.488 14.967 1.00 33.53 H new ATOM 0 HD3 LYS A 611 4.239 7.939 14.267 1.00 33.53 H new ATOM 0 HE2 LYS A 611 3.244 10.133 13.579 1.00 51.12 H new ATOM 0 HE3 LYS A 611 1.752 9.678 14.378 1.00 51.12 H new ATOM 0 HZ1 LYS A 611 3.123 11.040 15.793 1.00 33.24 H new ATOM 0 HZ2 LYS A 611 2.957 9.488 16.461 1.00 33.24 H new ATOM 0 HZ3 LYS A 611 4.402 9.929 15.688 1.00 33.24 H new ATOM 480 N ASP A 612 4.806 5.674 10.236 1.00 54.32 N ATOM 481 CA ASP A 612 5.886 6.134 9.361 1.00 4.23 C ATOM 482 C ASP A 612 5.533 5.888 7.902 1.00 32.12 C ATOM 483 O ASP A 612 6.017 6.585 7.007 1.00 33.20 O ATOM 484 CB ASP A 612 7.212 5.455 9.728 1.00 73.35 C ATOM 485 CG ASP A 612 8.378 5.942 8.892 1.00 74.02 C ATOM 486 OD1 ASP A 612 8.792 7.110 9.061 1.00 23.22 O ATOM 487 OD2 ASP A 612 8.920 5.154 8.088 1.00 71.43 O ATOM 0 H ASP A 612 5.053 4.868 10.810 1.00 54.32 H new ATOM 0 HA ASP A 612 6.009 7.208 9.504 1.00 4.23 H new ATOM 0 HB2 ASP A 612 7.427 5.635 10.781 1.00 73.35 H new ATOM 0 HB3 ASP A 612 7.108 4.377 9.604 1.00 73.35 H new ATOM 492 N ALA A 613 4.658 4.903 7.688 1.00 65.43 N ATOM 493 CA ALA A 613 4.123 4.539 6.377 1.00 2.11 C ATOM 494 C ALA A 613 5.144 3.885 5.453 1.00 74.30 C ATOM 495 O ALA A 613 6.321 3.727 5.795 1.00 42.41 O ATOM 496 CB ALA A 613 3.466 5.730 5.702 1.00 11.45 C ATOM 0 H ALA A 613 4.293 4.322 8.443 1.00 65.43 H new ATOM 0 HA ALA A 613 3.365 3.780 6.570 1.00 2.11 H new ATOM 0 HB1 ALA A 613 3.078 5.428 4.729 1.00 11.45 H new ATOM 0 HB2 ALA A 613 2.647 6.094 6.323 1.00 11.45 H new ATOM 0 HB3 ALA A 613 4.201 6.524 5.569 1.00 11.45 H new ATOM 502 N TYR A 614 4.665 3.485 4.301 1.00 3.22 N ATOM 503 CA TYR A 614 5.457 2.851 3.285 1.00 10.53 C ATOM 504 C TYR A 614 5.584 3.768 2.097 1.00 14.12 C ATOM 505 O TYR A 614 4.584 4.297 1.602 1.00 42.44 O ATOM 506 CB TYR A 614 4.794 1.540 2.848 1.00 32.35 C ATOM 507 CG TYR A 614 4.743 0.475 3.924 1.00 23.12 C ATOM 508 CD1 TYR A 614 3.874 0.581 5.007 1.00 35.44 C ATOM 509 CD2 TYR A 614 5.560 -0.645 3.849 1.00 45.11 C ATOM 510 CE1 TYR A 614 3.827 -0.377 5.965 1.00 31.11 C ATOM 511 CE2 TYR A 614 5.518 -1.621 4.816 1.00 54.22 C ATOM 512 CZ TYR A 614 4.647 -1.482 5.875 1.00 3.22 C ATOM 513 OH TYR A 614 4.597 -2.437 6.846 1.00 32.23 O ATOM 0 H TYR A 614 3.685 3.596 4.040 1.00 3.22 H new ATOM 0 HA TYR A 614 6.447 2.636 3.688 1.00 10.53 H new ATOM 0 HB2 TYR A 614 3.778 1.754 2.517 1.00 32.35 H new ATOM 0 HB3 TYR A 614 5.333 1.144 1.987 1.00 32.35 H new ATOM 0 HD1 TYR A 614 3.226 1.442 5.085 1.00 35.44 H new ATOM 0 HD2 TYR A 614 6.240 -0.751 3.017 1.00 45.11 H new ATOM 0 HE1 TYR A 614 3.148 -0.275 6.798 1.00 31.11 H new ATOM 0 HE2 TYR A 614 6.160 -2.487 4.747 1.00 54.22 H new ATOM 0 HH TYR A 614 3.724 -2.407 7.289 1.00 32.23 H new ATOM 523 N LYS A 615 6.782 3.981 1.656 1.00 33.15 N ATOM 524 CA LYS A 615 7.024 4.783 0.533 1.00 3.05 C ATOM 525 C LYS A 615 7.651 3.958 -0.595 1.00 23.43 C ATOM 526 O LYS A 615 8.526 3.113 -0.365 1.00 14.11 O ATOM 527 CB LYS A 615 7.912 5.955 0.920 1.00 40.05 C ATOM 528 CG LYS A 615 8.451 6.707 -0.244 1.00 44.24 C ATOM 529 CD LYS A 615 9.550 7.634 0.198 1.00 52.32 C ATOM 530 CE LYS A 615 10.422 7.939 -0.963 1.00 73.34 C ATOM 531 NZ LYS A 615 11.538 8.861 -0.656 1.00 11.43 N ATOM 0 H LYS A 615 7.622 3.590 2.082 1.00 33.15 H new ATOM 0 HA LYS A 615 6.077 5.176 0.164 1.00 3.05 H new ATOM 0 HB2 LYS A 615 7.343 6.638 1.550 1.00 40.05 H new ATOM 0 HB3 LYS A 615 8.744 5.586 1.520 1.00 40.05 H new ATOM 0 HG2 LYS A 615 8.832 6.011 -0.991 1.00 44.24 H new ATOM 0 HG3 LYS A 615 7.653 7.278 -0.718 1.00 44.24 H new ATOM 0 HD2 LYS A 615 9.127 8.553 0.603 1.00 52.32 H new ATOM 0 HD3 LYS A 615 10.133 7.173 0.996 1.00 52.32 H new ATOM 0 HE2 LYS A 615 10.832 7.006 -1.351 1.00 73.34 H new ATOM 0 HE3 LYS A 615 9.814 8.374 -1.756 1.00 73.34 H new ATOM 0 HZ1 LYS A 615 12.332 8.671 -1.300 1.00 11.43 H new ATOM 0 HZ2 LYS A 615 11.220 9.844 -0.778 1.00 11.43 H new ATOM 0 HZ3 LYS A 615 11.847 8.717 0.326 1.00 11.43 H new ATOM 545 N VAL A 616 7.170 4.196 -1.782 1.00 64.25 N ATOM 546 CA VAL A 616 7.657 3.579 -3.004 1.00 53.41 C ATOM 547 C VAL A 616 8.125 4.709 -3.900 1.00 13.11 C ATOM 548 O VAL A 616 7.515 5.766 -3.895 1.00 31.41 O ATOM 549 CB VAL A 616 6.518 2.817 -3.736 1.00 63.25 C ATOM 550 CG1 VAL A 616 7.030 2.116 -4.985 1.00 72.22 C ATOM 551 CG2 VAL A 616 5.814 1.836 -2.808 1.00 24.33 C ATOM 0 H VAL A 616 6.401 4.846 -1.941 1.00 64.25 H new ATOM 0 HA VAL A 616 8.451 2.869 -2.773 1.00 53.41 H new ATOM 0 HB VAL A 616 5.784 3.560 -4.049 1.00 63.25 H new ATOM 0 HG11 VAL A 616 6.207 1.593 -5.472 1.00 72.22 H new ATOM 0 HG12 VAL A 616 7.448 2.853 -5.671 1.00 72.22 H new ATOM 0 HG13 VAL A 616 7.803 1.399 -4.709 1.00 72.22 H new ATOM 0 HG21 VAL A 616 5.024 1.321 -3.354 1.00 24.33 H new ATOM 0 HG22 VAL A 616 6.533 1.106 -2.437 1.00 24.33 H new ATOM 0 HG23 VAL A 616 5.380 2.378 -1.967 1.00 24.33 H new ATOM 557 N GLU A 617 9.186 4.524 -4.629 1.00 63.01 N ATOM 558 CA GLU A 617 9.678 5.585 -5.488 1.00 30.01 C ATOM 559 C GLU A 617 9.630 5.172 -6.932 1.00 31.52 C ATOM 560 O GLU A 617 9.726 3.980 -7.254 1.00 75.40 O ATOM 561 CB GLU A 617 11.117 5.955 -5.163 1.00 1.23 C ATOM 562 CG GLU A 617 11.377 6.341 -3.734 1.00 73.22 C ATOM 563 CD GLU A 617 12.786 6.839 -3.528 1.00 15.42 C ATOM 564 OE1 GLU A 617 13.722 6.299 -4.169 1.00 72.21 O ATOM 565 OE2 GLU A 617 12.976 7.809 -2.767 1.00 74.11 O ATOM 0 H GLU A 617 9.730 3.661 -4.654 1.00 63.01 H new ATOM 0 HA GLU A 617 9.030 6.444 -5.313 1.00 30.01 H new ATOM 0 HB2 GLU A 617 11.757 5.110 -5.415 1.00 1.23 H new ATOM 0 HB3 GLU A 617 11.415 6.784 -5.805 1.00 1.23 H new ATOM 0 HG2 GLU A 617 10.672 7.116 -3.434 1.00 73.22 H new ATOM 0 HG3 GLU A 617 11.199 5.481 -3.088 1.00 73.22 H new ATOM 572 N THR A 618 9.485 6.135 -7.791 1.00 3.12 N ATOM 573 CA THR A 618 9.564 5.931 -9.192 1.00 13.23 C ATOM 574 C THR A 618 10.637 6.877 -9.706 1.00 33.33 C ATOM 575 O THR A 618 11.425 7.410 -8.907 1.00 74.13 O ATOM 576 CB THR A 618 8.210 6.218 -9.896 1.00 20.54 C ATOM 577 OG1 THR A 618 7.811 7.577 -9.687 1.00 55.11 O ATOM 578 CG2 THR A 618 7.121 5.289 -9.388 1.00 61.45 C ATOM 0 H THR A 618 9.305 7.103 -7.524 1.00 3.12 H new ATOM 0 HA THR A 618 9.807 4.890 -9.407 1.00 13.23 H new ATOM 0 HB THR A 618 8.351 6.044 -10.963 1.00 20.54 H new ATOM 0 HG1 THR A 618 8.125 7.879 -8.809 1.00 55.11 H new ATOM 0 HG21 THR A 618 6.184 5.513 -9.899 1.00 61.45 H new ATOM 0 HG22 THR A 618 7.404 4.255 -9.585 1.00 61.45 H new ATOM 0 HG23 THR A 618 6.992 5.432 -8.315 1.00 61.45 H new ATOM 584 N ASP A 619 10.680 7.083 -10.999 1.00 11.44 N ATOM 585 CA ASP A 619 11.666 7.956 -11.626 1.00 24.15 C ATOM 586 C ASP A 619 11.599 9.376 -11.080 1.00 41.15 C ATOM 587 O ASP A 619 12.621 9.957 -10.696 1.00 1.34 O ATOM 588 CB ASP A 619 11.465 7.979 -13.144 1.00 5.25 C ATOM 589 CG ASP A 619 11.695 6.637 -13.793 1.00 31.23 C ATOM 590 OD1 ASP A 619 10.830 5.738 -13.648 1.00 21.12 O ATOM 591 OD2 ASP A 619 12.721 6.463 -14.475 1.00 52.21 O ATOM 0 H ASP A 619 10.032 6.651 -11.658 1.00 11.44 H new ATOM 0 HA ASP A 619 12.651 7.552 -11.391 1.00 24.15 H new ATOM 0 HB2 ASP A 619 10.451 8.314 -13.365 1.00 5.25 H new ATOM 0 HB3 ASP A 619 12.145 8.709 -13.583 1.00 5.25 H new ATOM 596 N LYS A 620 10.402 9.939 -11.026 1.00 55.20 N ATOM 597 CA LYS A 620 10.251 11.329 -10.584 1.00 24.13 C ATOM 598 C LYS A 620 9.195 11.510 -9.506 1.00 14.32 C ATOM 599 O LYS A 620 8.941 12.634 -9.063 1.00 60.20 O ATOM 600 CB LYS A 620 9.990 12.252 -11.784 1.00 73.32 C ATOM 601 CG LYS A 620 11.179 12.370 -12.741 1.00 20.14 C ATOM 602 CD LYS A 620 10.869 13.191 -13.998 1.00 22.32 C ATOM 603 CE LYS A 620 9.851 12.494 -14.900 1.00 1.42 C ATOM 604 NZ LYS A 620 9.637 13.229 -16.173 1.00 14.22 N ATOM 0 H LYS A 620 9.531 9.471 -11.276 1.00 55.20 H new ATOM 0 HA LYS A 620 11.196 11.612 -10.121 1.00 24.13 H new ATOM 0 HB2 LYS A 620 9.127 11.880 -12.336 1.00 73.32 H new ATOM 0 HB3 LYS A 620 9.730 13.245 -11.417 1.00 73.32 H new ATOM 0 HG2 LYS A 620 12.016 12.828 -12.214 1.00 20.14 H new ATOM 0 HG3 LYS A 620 11.498 11.371 -13.038 1.00 20.14 H new ATOM 0 HD2 LYS A 620 10.486 14.169 -13.707 1.00 22.32 H new ATOM 0 HD3 LYS A 620 11.790 13.362 -14.555 1.00 22.32 H new ATOM 0 HE2 LYS A 620 10.194 11.483 -15.119 1.00 1.42 H new ATOM 0 HE3 LYS A 620 8.902 12.402 -14.371 1.00 1.42 H new ATOM 0 HZ1 LYS A 620 8.940 12.721 -16.754 1.00 14.22 H new ATOM 0 HZ2 LYS A 620 9.285 14.186 -15.967 1.00 14.22 H new ATOM 0 HZ3 LYS A 620 10.536 13.295 -16.691 1.00 14.22 H new ATOM 618 N TYR A 621 8.606 10.441 -9.071 1.00 11.32 N ATOM 619 CA TYR A 621 7.574 10.496 -8.051 1.00 53.41 C ATOM 620 C TYR A 621 7.843 9.496 -6.970 1.00 43.00 C ATOM 621 O TYR A 621 8.675 8.610 -7.128 1.00 75.34 O ATOM 622 CB TYR A 621 6.175 10.250 -8.651 1.00 21.31 C ATOM 623 CG TYR A 621 5.697 11.339 -9.576 1.00 53.11 C ATOM 624 CD1 TYR A 621 6.288 11.536 -10.807 1.00 5.43 C ATOM 625 CD2 TYR A 621 4.665 12.178 -9.210 1.00 32.20 C ATOM 626 CE1 TYR A 621 5.878 12.525 -11.644 1.00 50.41 C ATOM 627 CE2 TYR A 621 4.239 13.177 -10.051 1.00 61.54 C ATOM 628 CZ TYR A 621 4.848 13.349 -11.266 1.00 54.25 C ATOM 629 OH TYR A 621 4.417 14.346 -12.113 1.00 34.14 O ATOM 0 H TYR A 621 8.817 9.500 -9.404 1.00 11.32 H new ATOM 0 HA TYR A 621 7.594 11.498 -7.623 1.00 53.41 H new ATOM 0 HB2 TYR A 621 6.187 9.306 -9.196 1.00 21.31 H new ATOM 0 HB3 TYR A 621 5.458 10.140 -7.838 1.00 21.31 H new ATOM 0 HD1 TYR A 621 7.096 10.888 -11.113 1.00 5.43 H new ATOM 0 HD2 TYR A 621 4.186 12.048 -8.251 1.00 32.20 H new ATOM 0 HE1 TYR A 621 6.360 12.662 -12.601 1.00 50.41 H new ATOM 0 HE2 TYR A 621 3.427 13.825 -9.755 1.00 61.54 H new ATOM 0 HH TYR A 621 3.680 14.836 -11.693 1.00 34.14 H new ATOM 639 N GLU A 622 7.202 9.675 -5.872 1.00 1.24 N ATOM 640 CA GLU A 622 7.244 8.738 -4.811 1.00 25.11 C ATOM 641 C GLU A 622 5.874 8.663 -4.219 1.00 21.22 C ATOM 642 O GLU A 622 5.130 9.656 -4.208 1.00 64.51 O ATOM 643 CB GLU A 622 8.260 9.113 -3.752 1.00 74.43 C ATOM 644 CG GLU A 622 7.962 10.408 -3.064 1.00 5.31 C ATOM 645 CD GLU A 622 8.993 10.761 -2.045 1.00 11.50 C ATOM 646 OE1 GLU A 622 10.113 11.100 -2.406 1.00 3.22 O ATOM 647 OE2 GLU A 622 8.689 10.683 -0.843 1.00 32.53 O ATOM 0 H GLU A 622 6.623 10.493 -5.683 1.00 1.24 H new ATOM 0 HA GLU A 622 7.555 7.769 -5.201 1.00 25.11 H new ATOM 0 HB2 GLU A 622 8.306 8.318 -3.007 1.00 74.43 H new ATOM 0 HB3 GLU A 622 9.246 9.175 -4.213 1.00 74.43 H new ATOM 0 HG2 GLU A 622 7.900 11.204 -3.806 1.00 5.31 H new ATOM 0 HG3 GLU A 622 6.986 10.344 -2.583 1.00 5.31 H new ATOM 654 N PHE A 623 5.527 7.531 -3.753 1.00 11.13 N ATOM 655 CA PHE A 623 4.229 7.320 -3.227 1.00 74.33 C ATOM 656 C PHE A 623 4.334 6.898 -1.779 1.00 74.10 C ATOM 657 O PHE A 623 5.073 5.979 -1.459 1.00 70.14 O ATOM 658 CB PHE A 623 3.499 6.214 -4.021 1.00 54.43 C ATOM 659 CG PHE A 623 3.325 6.476 -5.504 1.00 52.24 C ATOM 660 CD1 PHE A 623 4.394 6.347 -6.380 1.00 21.14 C ATOM 661 CD2 PHE A 623 2.093 6.831 -6.019 1.00 54.12 C ATOM 662 CE1 PHE A 623 4.234 6.572 -7.727 1.00 52.42 C ATOM 663 CE2 PHE A 623 1.931 7.057 -7.367 1.00 30.44 C ATOM 664 CZ PHE A 623 3.002 6.928 -8.221 1.00 2.43 C ATOM 0 H PHE A 623 6.136 6.713 -3.722 1.00 11.13 H new ATOM 0 HA PHE A 623 3.665 8.249 -3.307 1.00 74.33 H new ATOM 0 HB2 PHE A 623 4.048 5.281 -3.898 1.00 54.43 H new ATOM 0 HB3 PHE A 623 2.514 6.065 -3.579 1.00 54.43 H new ATOM 0 HD1 PHE A 623 5.365 6.066 -5.998 1.00 21.14 H new ATOM 0 HD2 PHE A 623 1.247 6.932 -5.356 1.00 54.12 H new ATOM 0 HE1 PHE A 623 5.076 6.469 -8.396 1.00 52.42 H new ATOM 0 HE2 PHE A 623 0.962 7.336 -7.755 1.00 30.44 H new ATOM 0 HZ PHE A 623 2.875 7.106 -9.279 1.00 2.43 H new ATOM 674 N HIS A 624 3.639 7.579 -0.917 1.00 45.12 N ATOM 675 CA HIS A 624 3.557 7.184 0.469 1.00 72.01 C ATOM 676 C HIS A 624 2.182 6.657 0.719 1.00 64.43 C ATOM 677 O HIS A 624 1.190 7.358 0.487 1.00 53.14 O ATOM 678 CB HIS A 624 3.799 8.362 1.418 1.00 11.40 C ATOM 679 CG HIS A 624 5.160 8.962 1.368 1.00 54.45 C ATOM 680 ND1 HIS A 624 6.169 8.589 2.215 1.00 51.21 N ATOM 681 CD2 HIS A 624 5.671 9.935 0.587 1.00 4.24 C ATOM 682 CE1 HIS A 624 7.238 9.299 1.963 1.00 74.42 C ATOM 683 NE2 HIS A 624 6.962 10.127 0.978 1.00 14.13 N ATOM 0 H HIS A 624 3.113 8.422 -1.147 1.00 45.12 H new ATOM 0 HA HIS A 624 4.325 6.434 0.658 1.00 72.01 H new ATOM 0 HB2 HIS A 624 3.070 9.141 1.194 1.00 11.40 H new ATOM 0 HB3 HIS A 624 3.606 8.029 2.438 1.00 11.40 H new ATOM 0 HD2 HIS A 624 5.154 10.463 -0.201 1.00 4.24 H new ATOM 0 HE1 HIS A 624 8.185 9.219 2.476 1.00 74.42 H new ATOM 0 HE2 HIS A 624 7.610 10.803 0.573 1.00 14.13 H new ATOM 692 N ILE A 625 2.104 5.460 1.202 1.00 52.04 N ATOM 693 CA ILE A 625 0.838 4.835 1.469 1.00 43.44 C ATOM 694 C ILE A 625 0.927 4.114 2.794 1.00 71.23 C ATOM 695 O ILE A 625 2.028 3.771 3.260 1.00 72.34 O ATOM 696 CB ILE A 625 0.424 3.805 0.358 1.00 54.30 C ATOM 697 CG1 ILE A 625 1.368 2.613 0.360 1.00 21.21 C ATOM 698 CG2 ILE A 625 0.386 4.458 -1.026 1.00 63.43 C ATOM 699 CD1 ILE A 625 1.094 1.586 -0.719 1.00 75.11 C ATOM 0 H ILE A 625 2.914 4.882 1.425 1.00 52.04 H new ATOM 0 HA ILE A 625 0.080 5.618 1.487 1.00 43.44 H new ATOM 0 HB ILE A 625 -0.583 3.455 0.587 1.00 54.30 H new ATOM 0 HG12 ILE A 625 2.390 2.976 0.246 1.00 21.21 H new ATOM 0 HG13 ILE A 625 1.310 2.123 1.332 1.00 21.21 H new ATOM 0 HG21 ILE A 625 0.096 3.716 -1.770 1.00 63.43 H new ATOM 0 HG22 ILE A 625 -0.338 5.273 -1.024 1.00 63.43 H new ATOM 0 HG23 ILE A 625 1.373 4.850 -1.270 1.00 63.43 H new ATOM 0 HD11 ILE A 625 1.816 0.773 -0.640 1.00 75.11 H new ATOM 0 HD12 ILE A 625 0.086 1.189 -0.596 1.00 75.11 H new ATOM 0 HD13 ILE A 625 1.182 2.055 -1.699 1.00 75.11 H new ATOM 706 N ASN A 626 -0.176 3.927 3.403 1.00 42.32 N ATOM 707 CA ASN A 626 -0.249 3.199 4.653 1.00 71.15 C ATOM 708 C ASN A 626 -1.396 2.220 4.571 1.00 43.21 C ATOM 709 O ASN A 626 -2.343 2.449 3.813 1.00 51.12 O ATOM 710 CB ASN A 626 -0.471 4.182 5.811 1.00 72.15 C ATOM 711 CG ASN A 626 -0.495 3.519 7.175 1.00 31.42 C ATOM 712 OD1 ASN A 626 0.156 2.481 7.398 1.00 51.53 O ATOM 713 ND2 ASN A 626 -1.228 4.100 8.091 1.00 12.31 N ATOM 0 H ASN A 626 -1.075 4.269 3.064 1.00 42.32 H new ATOM 0 HA ASN A 626 0.681 2.660 4.831 1.00 71.15 H new ATOM 0 HB2 ASN A 626 0.319 4.933 5.795 1.00 72.15 H new ATOM 0 HB3 ASN A 626 -1.413 4.707 5.655 1.00 72.15 H new ATOM 0 HD21 ASN A 626 -1.281 3.703 9.029 1.00 12.31 H new ATOM 0 HD22 ASN A 626 -1.746 4.950 7.867 1.00 12.31 H new ATOM 719 N VAL A 627 -1.308 1.123 5.299 1.00 71.31 N ATOM 720 CA VAL A 627 -2.396 0.177 5.340 1.00 42.15 C ATOM 721 C VAL A 627 -3.400 0.651 6.317 1.00 21.55 C ATOM 722 O VAL A 627 -3.107 0.724 7.508 1.00 22.15 O ATOM 723 CB VAL A 627 -1.978 -1.253 5.765 1.00 74.32 C ATOM 724 CG1 VAL A 627 -3.206 -2.160 5.840 1.00 71.35 C ATOM 725 CG2 VAL A 627 -0.999 -1.824 4.794 1.00 20.25 C ATOM 0 H VAL A 627 -0.498 0.870 5.865 1.00 71.31 H new ATOM 0 HA VAL A 627 -2.783 0.117 4.323 1.00 42.15 H new ATOM 0 HB VAL A 627 -1.510 -1.194 6.748 1.00 74.32 H new ATOM 0 HG11 VAL A 627 -2.900 -3.162 6.140 1.00 71.35 H new ATOM 0 HG12 VAL A 627 -3.909 -1.761 6.572 1.00 71.35 H new ATOM 0 HG13 VAL A 627 -3.686 -2.204 4.862 1.00 71.35 H new ATOM 0 HG21 VAL A 627 -0.717 -2.829 5.109 1.00 20.25 H new ATOM 0 HG22 VAL A 627 -1.452 -1.868 3.804 1.00 20.25 H new ATOM 0 HG23 VAL A 627 -0.111 -1.193 4.759 1.00 20.25 H new ATOM 731 N CYS A 628 -4.552 0.990 5.811 1.00 45.23 N ATOM 732 CA CYS A 628 -5.683 1.402 6.588 1.00 42.11 C ATOM 733 C CYS A 628 -5.505 2.816 7.140 1.00 61.14 C ATOM 734 O CYS A 628 -4.396 3.256 7.477 1.00 1.14 O ATOM 735 CB CYS A 628 -5.932 0.369 7.715 1.00 32.24 C ATOM 736 SG CYS A 628 -7.232 0.781 8.888 1.00 35.30 S ATOM 0 H CYS A 628 -4.734 0.986 4.807 1.00 45.23 H new ATOM 0 HA CYS A 628 -6.562 1.437 5.944 1.00 42.11 H new ATOM 0 HB2 CYS A 628 -6.175 -0.589 7.256 1.00 32.24 H new ATOM 0 HB3 CYS A 628 -5.002 0.231 8.267 1.00 32.24 H new ATOM 741 N GLY A 629 -6.607 3.510 7.223 1.00 53.12 N ATOM 742 CA GLY A 629 -6.641 4.824 7.787 1.00 33.44 C ATOM 743 C GLY A 629 -5.906 5.816 6.937 1.00 33.11 C ATOM 744 O GLY A 629 -5.850 5.684 5.708 1.00 35.02 O ATOM 0 H GLY A 629 -7.513 3.173 6.897 1.00 53.12 H new ATOM 0 HA2 GLY A 629 -7.677 5.143 7.903 1.00 33.44 H new ATOM 0 HA3 GLY A 629 -6.200 4.803 8.784 1.00 33.44 H new ATOM 748 N PRO A 630 -5.390 6.848 7.553 1.00 71.24 N ATOM 749 CA PRO A 630 -4.575 7.825 6.884 1.00 63.02 C ATOM 750 C PRO A 630 -3.099 7.441 6.855 1.00 2.23 C ATOM 751 O PRO A 630 -2.669 6.450 7.469 1.00 1.10 O ATOM 752 CB PRO A 630 -4.748 9.039 7.761 1.00 74.24 C ATOM 753 CG PRO A 630 -4.905 8.480 9.135 1.00 62.31 C ATOM 754 CD PRO A 630 -5.611 7.184 8.974 1.00 4.52 C ATOM 0 HA PRO A 630 -4.865 7.953 5.841 1.00 63.02 H new ATOM 0 HB2 PRO A 630 -3.885 9.702 7.697 1.00 74.24 H new ATOM 0 HB3 PRO A 630 -5.621 9.622 7.466 1.00 74.24 H new ATOM 0 HG2 PRO A 630 -3.935 8.339 9.611 1.00 62.31 H new ATOM 0 HG3 PRO A 630 -5.476 9.159 9.769 1.00 62.31 H new ATOM 0 HD2 PRO A 630 -5.204 6.420 9.636 1.00 4.52 H new ATOM 0 HD3 PRO A 630 -6.672 7.273 9.205 1.00 4.52 H new ATOM 762 N VAL A 631 -2.343 8.227 6.155 1.00 41.40 N ATOM 763 CA VAL A 631 -0.942 8.077 6.099 1.00 45.34 C ATOM 764 C VAL A 631 -0.334 9.252 6.855 1.00 10.45 C ATOM 765 O VAL A 631 -0.710 10.412 6.629 1.00 53.25 O ATOM 766 CB VAL A 631 -0.436 8.027 4.617 1.00 44.34 C ATOM 767 CG1 VAL A 631 -0.675 9.309 3.827 1.00 64.22 C ATOM 768 CG2 VAL A 631 0.987 7.585 4.528 1.00 2.41 C ATOM 0 H VAL A 631 -2.700 9.004 5.599 1.00 41.40 H new ATOM 0 HA VAL A 631 -0.639 7.135 6.556 1.00 45.34 H new ATOM 0 HB VAL A 631 -1.056 7.272 4.135 1.00 44.34 H new ATOM 0 HG11 VAL A 631 -0.295 9.188 2.813 1.00 64.22 H new ATOM 0 HG12 VAL A 631 -1.744 9.520 3.791 1.00 64.22 H new ATOM 0 HG13 VAL A 631 -0.158 10.137 4.312 1.00 64.22 H new ATOM 0 HG21 VAL A 631 1.297 7.564 3.483 1.00 2.41 H new ATOM 0 HG22 VAL A 631 1.619 8.280 5.080 1.00 2.41 H new ATOM 0 HG23 VAL A 631 1.085 6.587 4.955 1.00 2.41 H new ATOM 774 N SER A 632 0.558 8.982 7.751 1.00 52.43 N ATOM 775 CA SER A 632 1.129 10.039 8.516 1.00 23.05 C ATOM 776 C SER A 632 2.435 10.498 7.898 1.00 41.23 C ATOM 777 O SER A 632 3.527 10.069 8.294 1.00 45.50 O ATOM 778 CB SER A 632 1.266 9.648 9.999 1.00 53.24 C ATOM 779 OG SER A 632 1.796 10.704 10.788 1.00 51.14 O ATOM 0 H SER A 632 0.904 8.048 7.969 1.00 52.43 H new ATOM 0 HA SER A 632 0.452 10.893 8.493 1.00 23.05 H new ATOM 0 HB2 SER A 632 0.289 9.361 10.389 1.00 53.24 H new ATOM 0 HB3 SER A 632 1.912 8.774 10.084 1.00 53.24 H new ATOM 0 HG SER A 632 1.864 10.413 11.721 1.00 51.14 H new ATOM 785 N VAL A 633 2.313 11.287 6.855 1.00 61.21 N ATOM 786 CA VAL A 633 3.462 11.871 6.194 1.00 2.23 C ATOM 787 C VAL A 633 3.436 13.354 6.426 1.00 4.12 C ATOM 788 O VAL A 633 2.394 13.989 6.234 1.00 41.52 O ATOM 789 CB VAL A 633 3.445 11.622 4.658 1.00 14.43 C ATOM 790 CG1 VAL A 633 4.723 12.112 3.992 1.00 65.34 C ATOM 791 CG2 VAL A 633 3.219 10.177 4.350 1.00 0.34 C ATOM 0 H VAL A 633 1.417 11.543 6.440 1.00 61.21 H new ATOM 0 HA VAL A 633 4.359 11.407 6.605 1.00 2.23 H new ATOM 0 HB VAL A 633 2.614 12.198 4.250 1.00 14.43 H new ATOM 0 HG11 VAL A 633 4.672 11.920 2.920 1.00 65.34 H new ATOM 0 HG12 VAL A 633 4.835 13.183 4.164 1.00 65.34 H new ATOM 0 HG13 VAL A 633 5.579 11.585 4.414 1.00 65.34 H new ATOM 0 HG21 VAL A 633 3.212 10.032 3.270 1.00 0.34 H new ATOM 0 HG22 VAL A 633 4.019 9.582 4.791 1.00 0.34 H new ATOM 0 HG23 VAL A 633 2.261 9.862 4.765 1.00 0.34 H new ATOM 797 N GLY A 634 4.571 13.922 6.790 1.00 34.42 N ATOM 798 CA GLY A 634 4.651 15.351 7.034 1.00 75.33 C ATOM 799 C GLY A 634 4.720 16.152 5.744 1.00 71.34 C ATOM 800 O GLY A 634 5.447 17.151 5.654 1.00 32.32 O ATOM 0 H GLY A 634 5.448 13.418 6.923 1.00 34.42 H new ATOM 0 HA2 GLY A 634 3.782 15.668 7.610 1.00 75.33 H new ATOM 0 HA3 GLY A 634 5.531 15.565 7.640 1.00 75.33 H new ATOM 804 N ALA A 635 3.978 15.711 4.751 1.00 0.43 N ATOM 805 CA ALA A 635 3.926 16.366 3.468 1.00 33.24 C ATOM 806 C ALA A 635 2.534 16.226 2.854 1.00 70.22 C ATOM 807 O ALA A 635 2.270 16.739 1.759 1.00 53.25 O ATOM 808 CB ALA A 635 4.981 15.785 2.527 1.00 33.20 C ATOM 0 H ALA A 635 3.390 14.880 4.815 1.00 0.43 H new ATOM 0 HA ALA A 635 4.137 17.425 3.614 1.00 33.24 H new ATOM 0 HB1 ALA A 635 4.927 16.291 1.563 1.00 33.20 H new ATOM 0 HB2 ALA A 635 5.972 15.929 2.958 1.00 33.20 H new ATOM 0 HB3 ALA A 635 4.797 14.720 2.388 1.00 33.20 H new ATOM 814 N CYS A 636 1.646 15.548 3.563 1.00 21.23 N ATOM 815 CA CYS A 636 0.315 15.298 3.067 1.00 2.11 C ATOM 816 C CYS A 636 -0.688 15.459 4.211 1.00 13.40 C ATOM 817 O CYS A 636 -0.321 15.274 5.373 1.00 5.31 O ATOM 818 CB CYS A 636 0.250 13.883 2.478 1.00 10.30 C ATOM 819 SG CYS A 636 1.446 13.593 1.118 1.00 33.44 S ATOM 0 H CYS A 636 1.831 15.162 4.489 1.00 21.23 H new ATOM 0 HA CYS A 636 0.066 16.012 2.282 1.00 2.11 H new ATOM 0 HB2 CYS A 636 0.435 13.160 3.272 1.00 10.30 H new ATOM 0 HB3 CYS A 636 -0.759 13.699 2.108 1.00 10.30 H new ATOM 824 N PRO A 637 -1.954 15.829 3.912 1.00 42.51 N ATOM 825 CA PRO A 637 -2.975 16.035 4.942 1.00 14.33 C ATOM 826 C PRO A 637 -3.364 14.730 5.665 1.00 75.13 C ATOM 827 O PRO A 637 -3.411 13.660 5.048 1.00 2.21 O ATOM 828 CB PRO A 637 -4.187 16.581 4.166 1.00 64.42 C ATOM 829 CG PRO A 637 -3.668 16.956 2.818 1.00 45.31 C ATOM 830 CD PRO A 637 -2.486 16.074 2.562 1.00 34.12 C ATOM 0 HA PRO A 637 -2.613 16.704 5.723 1.00 14.33 H new ATOM 0 HB2 PRO A 637 -4.973 15.830 4.088 1.00 64.42 H new ATOM 0 HB3 PRO A 637 -4.620 17.443 4.673 1.00 64.42 H new ATOM 0 HG2 PRO A 637 -4.432 16.813 2.054 1.00 45.31 H new ATOM 0 HG3 PRO A 637 -3.382 18.007 2.790 1.00 45.31 H new ATOM 0 HD2 PRO A 637 -2.775 15.146 2.068 1.00 34.12 H new ATOM 0 HD3 PRO A 637 -1.751 16.561 1.921 1.00 34.12 H new ATOM 838 N PRO A 638 -3.651 14.814 6.987 1.00 20.10 N ATOM 839 CA PRO A 638 -4.072 13.660 7.821 1.00 73.51 C ATOM 840 C PRO A 638 -5.337 12.929 7.306 1.00 72.33 C ATOM 841 O PRO A 638 -5.671 11.858 7.791 1.00 53.32 O ATOM 842 CB PRO A 638 -4.353 14.293 9.185 1.00 55.53 C ATOM 843 CG PRO A 638 -3.514 15.519 9.200 1.00 54.05 C ATOM 844 CD PRO A 638 -3.536 16.043 7.799 1.00 51.14 C ATOM 0 HA PRO A 638 -3.303 12.888 7.824 1.00 73.51 H new ATOM 0 HB2 PRO A 638 -5.410 14.533 9.302 1.00 55.53 H new ATOM 0 HB3 PRO A 638 -4.087 13.619 9.999 1.00 55.53 H new ATOM 0 HG2 PRO A 638 -3.910 16.255 9.899 1.00 54.05 H new ATOM 0 HG3 PRO A 638 -2.496 15.293 9.517 1.00 54.05 H new ATOM 0 HD2 PRO A 638 -4.377 16.717 7.633 1.00 51.14 H new ATOM 0 HD3 PRO A 638 -2.630 16.600 7.562 1.00 51.14 H new ATOM 852 N ASP A 639 -6.050 13.525 6.364 1.00 54.34 N ATOM 853 CA ASP A 639 -7.208 12.858 5.741 1.00 75.31 C ATOM 854 C ASP A 639 -6.825 12.050 4.521 1.00 30.42 C ATOM 855 O ASP A 639 -7.679 11.499 3.854 1.00 44.41 O ATOM 856 CB ASP A 639 -8.354 13.822 5.385 1.00 32.32 C ATOM 857 CG ASP A 639 -9.223 14.188 6.562 1.00 52.41 C ATOM 858 OD1 ASP A 639 -8.930 15.173 7.261 1.00 21.11 O ATOM 859 OD2 ASP A 639 -10.229 13.496 6.802 1.00 10.03 O ATOM 0 H ASP A 639 -5.859 14.462 6.009 1.00 54.34 H new ATOM 0 HA ASP A 639 -7.575 12.178 6.510 1.00 75.31 H new ATOM 0 HB2 ASP A 639 -7.933 14.732 4.958 1.00 32.32 H new ATOM 0 HB3 ASP A 639 -8.975 13.366 4.614 1.00 32.32 H new ATOM 864 N SER A 640 -5.557 11.973 4.219 1.00 44.15 N ATOM 865 CA SER A 640 -5.117 11.185 3.095 1.00 22.54 C ATOM 866 C SER A 640 -4.492 9.878 3.589 1.00 1.14 C ATOM 867 O SER A 640 -3.734 9.886 4.551 1.00 34.23 O ATOM 868 CB SER A 640 -4.111 11.979 2.260 1.00 34.41 C ATOM 869 OG SER A 640 -4.672 13.217 1.850 1.00 31.41 O ATOM 0 H SER A 640 -4.811 12.444 4.732 1.00 44.15 H new ATOM 0 HA SER A 640 -5.975 10.946 2.467 1.00 22.54 H new ATOM 0 HB2 SER A 640 -3.207 12.158 2.842 1.00 34.41 H new ATOM 0 HB3 SER A 640 -3.817 11.399 1.385 1.00 34.41 H new ATOM 0 HG SER A 640 -4.083 13.641 1.191 1.00 31.41 H new ATOM 875 N GLY A 641 -4.846 8.769 2.955 1.00 65.15 N ATOM 876 CA GLY A 641 -4.271 7.474 3.314 1.00 4.44 C ATOM 877 C GLY A 641 -3.179 7.064 2.355 1.00 53.04 C ATOM 878 O GLY A 641 -2.307 6.249 2.683 1.00 11.14 O ATOM 0 H GLY A 641 -5.524 8.736 2.194 1.00 65.15 H new ATOM 0 HA2 GLY A 641 -3.868 7.522 4.326 1.00 4.44 H new ATOM 0 HA3 GLY A 641 -5.055 6.716 3.319 1.00 4.44 H new ATOM 882 N ALA A 642 -3.230 7.621 1.176 1.00 41.50 N ATOM 883 CA ALA A 642 -2.232 7.402 0.166 1.00 15.01 C ATOM 884 C ALA A 642 -1.998 8.712 -0.534 1.00 71.31 C ATOM 885 O ALA A 642 -2.938 9.358 -1.011 1.00 0.41 O ATOM 886 CB ALA A 642 -2.680 6.323 -0.805 1.00 3.43 C ATOM 0 H ALA A 642 -3.979 8.250 0.886 1.00 41.50 H new ATOM 0 HA ALA A 642 -1.302 7.052 0.614 1.00 15.01 H new ATOM 0 HB1 ALA A 642 -1.910 6.172 -1.562 1.00 3.43 H new ATOM 0 HB2 ALA A 642 -2.844 5.391 -0.263 1.00 3.43 H new ATOM 0 HB3 ALA A 642 -3.608 6.630 -1.287 1.00 3.43 H new ATOM 892 N CYS A 643 -0.777 9.128 -0.552 1.00 43.41 N ATOM 893 CA CYS A 643 -0.413 10.397 -1.107 1.00 72.42 C ATOM 894 C CYS A 643 0.891 10.286 -1.873 1.00 63.04 C ATOM 895 O CYS A 643 1.856 9.673 -1.389 1.00 1.32 O ATOM 896 CB CYS A 643 -0.294 11.410 0.032 1.00 11.04 C ATOM 897 SG CYS A 643 0.277 13.066 -0.447 1.00 42.22 S ATOM 0 H CYS A 643 0.008 8.594 -0.179 1.00 43.41 H new ATOM 0 HA CYS A 643 -1.178 10.729 -1.809 1.00 72.42 H new ATOM 0 HB2 CYS A 643 -1.268 11.506 0.512 1.00 11.04 H new ATOM 0 HB3 CYS A 643 0.392 11.011 0.779 1.00 11.04 H new ATOM 902 N GLN A 644 0.928 10.847 -3.055 1.00 4.41 N ATOM 903 CA GLN A 644 2.140 10.841 -3.832 1.00 31.31 C ATOM 904 C GLN A 644 2.705 12.216 -3.895 1.00 14.23 C ATOM 905 O GLN A 644 1.960 13.191 -3.931 1.00 21.04 O ATOM 906 CB GLN A 644 1.963 10.340 -5.255 1.00 34.11 C ATOM 907 CG GLN A 644 1.043 11.175 -6.119 1.00 55.04 C ATOM 908 CD GLN A 644 1.004 10.718 -7.566 1.00 23.34 C ATOM 909 OE1 GLN A 644 1.968 10.170 -8.085 1.00 23.32 O ATOM 910 NE2 GLN A 644 -0.085 10.982 -8.235 1.00 75.11 N ATOM 0 H GLN A 644 0.136 11.312 -3.499 1.00 4.41 H new ATOM 0 HA GLN A 644 2.810 10.148 -3.323 1.00 31.31 H new ATOM 0 HB2 GLN A 644 2.942 10.294 -5.732 1.00 34.11 H new ATOM 0 HB3 GLN A 644 1.578 9.321 -5.220 1.00 34.11 H new ATOM 0 HG2 GLN A 644 0.035 11.139 -5.706 1.00 55.04 H new ATOM 0 HG3 GLN A 644 1.365 12.216 -6.082 1.00 55.04 H new ATOM 0 HE21 GLN A 644 -0.870 11.440 -7.772 1.00 75.11 H new ATOM 0 HE22 GLN A 644 -0.151 10.731 -9.221 1.00 75.11 H new ATOM 918 N VAL A 645 3.987 12.298 -3.911 1.00 74.43 N ATOM 919 CA VAL A 645 4.661 13.536 -4.018 1.00 74.21 C ATOM 920 C VAL A 645 5.741 13.428 -5.079 1.00 71.03 C ATOM 921 O VAL A 645 6.473 12.434 -5.153 1.00 54.41 O ATOM 922 CB VAL A 645 5.208 14.058 -2.635 1.00 22.34 C ATOM 923 CG1 VAL A 645 6.112 13.054 -1.967 1.00 23.15 C ATOM 924 CG2 VAL A 645 5.911 15.408 -2.778 1.00 23.22 C ATOM 0 H VAL A 645 4.606 11.490 -3.849 1.00 74.43 H new ATOM 0 HA VAL A 645 3.944 14.295 -4.331 1.00 74.21 H new ATOM 0 HB VAL A 645 4.339 14.197 -1.992 1.00 22.34 H new ATOM 0 HG11 VAL A 645 6.465 13.457 -1.018 1.00 23.15 H new ATOM 0 HG12 VAL A 645 5.561 12.131 -1.787 1.00 23.15 H new ATOM 0 HG13 VAL A 645 6.965 12.847 -2.613 1.00 23.15 H new ATOM 0 HG21 VAL A 645 6.274 15.734 -1.803 1.00 23.22 H new ATOM 0 HG22 VAL A 645 6.752 15.309 -3.464 1.00 23.22 H new ATOM 0 HG23 VAL A 645 5.209 16.144 -3.169 1.00 23.22 H new ATOM 930 N SER A 646 5.776 14.396 -5.936 1.00 52.31 N ATOM 931 CA SER A 646 6.730 14.460 -6.982 1.00 65.41 C ATOM 932 C SER A 646 8.074 14.821 -6.411 1.00 54.45 C ATOM 933 O SER A 646 8.248 15.908 -5.870 1.00 42.03 O ATOM 934 CB SER A 646 6.297 15.509 -8.012 1.00 14.45 C ATOM 935 OG SER A 646 7.253 15.652 -9.052 1.00 62.32 O ATOM 0 H SER A 646 5.124 15.180 -5.923 1.00 52.31 H new ATOM 0 HA SER A 646 6.799 13.490 -7.474 1.00 65.41 H new ATOM 0 HB2 SER A 646 5.335 15.224 -8.439 1.00 14.45 H new ATOM 0 HB3 SER A 646 6.154 16.469 -7.515 1.00 14.45 H new ATOM 0 HG SER A 646 6.943 16.328 -9.691 1.00 62.32 H new ATOM 941 N ARG A 647 9.015 13.918 -6.516 1.00 15.40 N ATOM 942 CA ARG A 647 10.350 14.178 -6.027 1.00 23.20 C ATOM 943 C ARG A 647 11.024 15.196 -6.957 1.00 63.15 C ATOM 944 O ARG A 647 12.024 15.811 -6.616 1.00 25.24 O ATOM 945 CB ARG A 647 11.164 12.873 -5.922 1.00 21.41 C ATOM 946 CG ARG A 647 11.600 12.268 -7.243 1.00 15.22 C ATOM 947 CD ARG A 647 12.219 10.895 -7.040 1.00 44.31 C ATOM 948 NE ARG A 647 13.330 10.902 -6.081 1.00 53.24 N ATOM 949 CZ ARG A 647 13.889 9.792 -5.561 1.00 43.40 C ATOM 950 NH1 ARG A 647 13.551 8.587 -6.022 1.00 1.01 N ATOM 951 NH2 ARG A 647 14.809 9.894 -4.614 1.00 44.03 N ATOM 0 H ARG A 647 8.885 12.997 -6.934 1.00 15.40 H new ATOM 0 HA ARG A 647 10.300 14.595 -5.021 1.00 23.20 H new ATOM 0 HB2 ARG A 647 12.052 13.066 -5.320 1.00 21.41 H new ATOM 0 HB3 ARG A 647 10.568 12.136 -5.384 1.00 21.41 H new ATOM 0 HG2 ARG A 647 10.742 12.188 -7.910 1.00 15.22 H new ATOM 0 HG3 ARG A 647 12.321 12.927 -7.728 1.00 15.22 H new ATOM 0 HD2 ARG A 647 11.451 10.204 -6.692 1.00 44.31 H new ATOM 0 HD3 ARG A 647 12.576 10.518 -7.998 1.00 44.31 H new ATOM 0 HE ARG A 647 13.703 11.805 -5.789 1.00 53.24 H new ATOM 0 HH11 ARG A 647 12.866 8.502 -6.773 1.00 1.01 H new ATOM 0 HH12 ARG A 647 13.978 7.751 -5.624 1.00 1.01 H new ATOM 0 HH21 ARG A 647 15.095 10.814 -4.278 1.00 44.03 H new ATOM 0 HH22 ARG A 647 15.232 9.053 -4.221 1.00 44.03 H new ATOM 963 N SER A 648 10.465 15.318 -8.160 1.00 53.23 N ATOM 964 CA SER A 648 10.946 16.239 -9.156 1.00 21.41 C ATOM 965 C SER A 648 10.397 17.673 -8.941 1.00 41.24 C ATOM 966 O SER A 648 11.154 18.637 -8.900 1.00 61.12 O ATOM 967 CB SER A 648 10.507 15.720 -10.541 1.00 34.01 C ATOM 968 OG SER A 648 10.954 16.549 -11.598 1.00 23.33 O ATOM 0 H SER A 648 9.659 14.770 -8.461 1.00 53.23 H new ATOM 0 HA SER A 648 12.032 16.296 -9.081 1.00 21.41 H new ATOM 0 HB2 SER A 648 10.894 14.711 -10.687 1.00 34.01 H new ATOM 0 HB3 SER A 648 9.420 15.652 -10.572 1.00 34.01 H new ATOM 0 HG SER A 648 10.653 16.179 -12.454 1.00 23.33 H new ATOM 974 N ASP A 649 9.083 17.804 -8.792 1.00 11.04 N ATOM 975 CA ASP A 649 8.469 19.146 -8.726 1.00 22.34 C ATOM 976 C ASP A 649 8.017 19.546 -7.322 1.00 13.04 C ATOM 977 O ASP A 649 7.752 20.712 -7.048 1.00 62.33 O ATOM 978 CB ASP A 649 7.328 19.266 -9.734 1.00 32.20 C ATOM 979 CG ASP A 649 6.793 20.675 -9.865 1.00 62.12 C ATOM 980 OD1 ASP A 649 7.346 21.458 -10.649 1.00 24.52 O ATOM 981 OD2 ASP A 649 5.808 21.009 -9.210 1.00 23.20 O ATOM 0 H ASP A 649 8.428 17.026 -8.715 1.00 11.04 H new ATOM 0 HA ASP A 649 9.252 19.855 -8.993 1.00 22.34 H new ATOM 0 HB2 ASP A 649 7.676 18.924 -10.709 1.00 32.20 H new ATOM 0 HB3 ASP A 649 6.516 18.603 -9.435 1.00 32.20 H new ATOM 986 N ARG A 650 7.962 18.578 -6.439 1.00 61.34 N ATOM 987 CA ARG A 650 7.493 18.762 -5.040 1.00 55.42 C ATOM 988 C ARG A 650 5.987 18.973 -4.901 1.00 2.22 C ATOM 989 O ARG A 650 5.512 19.442 -3.870 1.00 3.14 O ATOM 990 CB ARG A 650 8.310 19.803 -4.227 1.00 41.25 C ATOM 991 CG ARG A 650 9.727 19.358 -3.838 1.00 50.22 C ATOM 992 CD ARG A 650 10.652 19.181 -5.030 1.00 22.43 C ATOM 993 NE ARG A 650 11.938 18.622 -4.628 1.00 41.43 N ATOM 994 CZ ARG A 650 13.013 18.515 -5.408 1.00 44.12 C ATOM 995 NH1 ARG A 650 13.017 19.046 -6.630 1.00 61.11 N ATOM 996 NH2 ARG A 650 14.089 17.890 -4.952 1.00 33.20 N ATOM 0 H ARG A 650 8.240 17.620 -6.650 1.00 61.34 H new ATOM 0 HA ARG A 650 7.697 17.796 -4.579 1.00 55.42 H new ATOM 0 HB2 ARG A 650 8.381 20.721 -4.810 1.00 41.25 H new ATOM 0 HB3 ARG A 650 7.759 20.044 -3.318 1.00 41.25 H new ATOM 0 HG2 ARG A 650 10.158 20.094 -3.159 1.00 50.22 H new ATOM 0 HG3 ARG A 650 9.667 18.417 -3.291 1.00 50.22 H new ATOM 0 HD2 ARG A 650 10.182 18.525 -5.763 1.00 22.43 H new ATOM 0 HD3 ARG A 650 10.808 20.143 -5.517 1.00 22.43 H new ATOM 0 HE ARG A 650 12.021 18.285 -3.669 1.00 41.43 H new ATOM 0 HH11 ARG A 650 12.193 19.539 -6.975 1.00 61.11 H new ATOM 0 HH12 ARG A 650 13.844 18.960 -7.221 1.00 61.11 H new ATOM 0 HH21 ARG A 650 14.089 17.496 -4.011 1.00 33.20 H new ATOM 0 HH22 ARG A 650 14.917 17.803 -5.542 1.00 33.20 H new ATOM 1008 N LYS A 651 5.237 18.574 -5.902 1.00 13.41 N ATOM 1009 CA LYS A 651 3.794 18.582 -5.779 1.00 61.40 C ATOM 1010 C LYS A 651 3.330 17.295 -5.186 1.00 13.25 C ATOM 1011 O LYS A 651 3.938 16.263 -5.429 1.00 41.45 O ATOM 1012 CB LYS A 651 3.111 18.700 -7.099 1.00 2.25 C ATOM 1013 CG LYS A 651 3.380 19.933 -7.814 1.00 44.23 C ATOM 1014 CD LYS A 651 2.273 20.137 -8.800 1.00 1.52 C ATOM 1015 CE LYS A 651 2.452 21.365 -9.602 1.00 71.14 C ATOM 1016 NZ LYS A 651 3.570 21.255 -10.561 1.00 62.52 N ATOM 0 H LYS A 651 5.593 18.244 -6.799 1.00 13.41 H new ATOM 0 HA LYS A 651 3.547 19.441 -5.156 1.00 61.40 H new ATOM 0 HB2 LYS A 651 3.413 17.860 -7.725 1.00 2.25 H new ATOM 0 HB3 LYS A 651 2.035 18.613 -6.945 1.00 2.25 H new ATOM 0 HG2 LYS A 651 3.435 20.773 -7.121 1.00 44.23 H new ATOM 0 HG3 LYS A 651 4.342 19.877 -8.324 1.00 44.23 H new ATOM 0 HD2 LYS A 651 2.220 19.276 -9.466 1.00 1.52 H new ATOM 0 HD3 LYS A 651 1.322 20.188 -8.269 1.00 1.52 H new ATOM 0 HE2 LYS A 651 1.531 21.578 -10.145 1.00 71.14 H new ATOM 0 HE3 LYS A 651 2.631 22.208 -8.935 1.00 71.14 H new ATOM 0 HZ1 LYS A 651 3.394 21.882 -11.372 1.00 62.52 H new ATOM 0 HZ2 LYS A 651 4.457 21.533 -10.094 1.00 62.52 H new ATOM 0 HZ3 LYS A 651 3.647 20.272 -10.893 1.00 62.52 H new ATOM 1030 N SER A 652 2.276 17.333 -4.435 1.00 44.52 N ATOM 1031 CA SER A 652 1.698 16.130 -3.928 1.00 24.34 C ATOM 1032 C SER A 652 0.208 16.098 -4.213 1.00 70.44 C ATOM 1033 O SER A 652 -0.437 17.150 -4.341 1.00 52.02 O ATOM 1034 CB SER A 652 2.031 15.909 -2.447 1.00 21.31 C ATOM 1035 OG SER A 652 1.648 17.022 -1.635 1.00 34.10 O ATOM 0 H SER A 652 1.796 18.189 -4.158 1.00 44.52 H new ATOM 0 HA SER A 652 2.146 15.287 -4.454 1.00 24.34 H new ATOM 0 HB2 SER A 652 1.524 15.011 -2.092 1.00 21.31 H new ATOM 0 HB3 SER A 652 3.101 15.734 -2.339 1.00 21.31 H new ATOM 0 HG SER A 652 1.876 16.839 -0.700 1.00 34.10 H new ATOM 1041 N TRP A 653 -0.327 14.916 -4.356 1.00 60.14 N ATOM 1042 CA TRP A 653 -1.727 14.739 -4.687 1.00 52.31 C ATOM 1043 C TRP A 653 -2.359 13.753 -3.735 1.00 3.15 C ATOM 1044 O TRP A 653 -1.662 12.961 -3.099 1.00 43.44 O ATOM 1045 CB TRP A 653 -1.902 14.222 -6.135 1.00 54.53 C ATOM 1046 CG TRP A 653 -1.392 15.139 -7.221 1.00 65.14 C ATOM 1047 CD1 TRP A 653 -2.122 16.019 -7.970 1.00 53.44 C ATOM 1048 CD2 TRP A 653 -0.044 15.251 -7.678 1.00 15.34 C ATOM 1049 NE1 TRP A 653 -1.302 16.660 -8.870 1.00 14.03 N ATOM 1050 CE2 TRP A 653 -0.023 16.207 -8.707 1.00 2.12 C ATOM 1051 CE3 TRP A 653 1.143 14.635 -7.311 1.00 25.31 C ATOM 1052 CZ2 TRP A 653 1.149 16.552 -9.372 1.00 63.13 C ATOM 1053 CZ3 TRP A 653 2.299 14.968 -7.958 1.00 64.35 C ATOM 1054 CH2 TRP A 653 2.301 15.921 -8.982 1.00 75.03 C ATOM 0 H TRP A 653 0.190 14.044 -4.248 1.00 60.14 H new ATOM 0 HA TRP A 653 -2.214 15.710 -4.601 1.00 52.31 H new ATOM 0 HB2 TRP A 653 -1.391 13.263 -6.224 1.00 54.53 H new ATOM 0 HB3 TRP A 653 -2.962 14.035 -6.310 1.00 54.53 H new ATOM 0 HD1 TRP A 653 -3.184 16.186 -7.870 1.00 53.44 H new ATOM 0 HE1 TRP A 653 -1.601 17.360 -9.549 1.00 14.03 H new ATOM 0 HE3 TRP A 653 1.153 13.899 -6.521 1.00 25.31 H new ATOM 0 HZ2 TRP A 653 1.151 17.287 -10.163 1.00 63.13 H new ATOM 0 HZ3 TRP A 653 3.225 14.489 -7.675 1.00 64.35 H new ATOM 0 HH2 TRP A 653 3.230 16.165 -9.476 1.00 75.03 H new ATOM 1065 N ASN A 654 -3.662 13.768 -3.681 1.00 10.52 N ATOM 1066 CA ASN A 654 -4.410 12.885 -2.810 1.00 31.04 C ATOM 1067 C ASN A 654 -4.801 11.691 -3.642 1.00 33.31 C ATOM 1068 O ASN A 654 -5.428 11.852 -4.694 1.00 70.51 O ATOM 1069 CB ASN A 654 -5.682 13.601 -2.352 1.00 63.45 C ATOM 1070 CG ASN A 654 -6.445 12.911 -1.243 1.00 24.34 C ATOM 1071 OD1 ASN A 654 -6.435 11.694 -1.109 1.00 14.43 O ATOM 1072 ND2 ASN A 654 -7.122 13.699 -0.448 1.00 2.12 N ATOM 0 H ASN A 654 -4.243 14.393 -4.239 1.00 10.52 H new ATOM 0 HA ASN A 654 -3.824 12.594 -1.938 1.00 31.04 H new ATOM 0 HB2 ASN A 654 -5.415 14.604 -2.019 1.00 63.45 H new ATOM 0 HB3 ASN A 654 -6.344 13.716 -3.210 1.00 63.45 H new ATOM 0 HD21 ASN A 654 -7.668 13.304 0.318 1.00 2.12 H new ATOM 0 HD22 ASN A 654 -7.104 14.708 -0.594 1.00 2.12 H new ATOM 1078 N LEU A 655 -4.416 10.514 -3.212 1.00 33.23 N ATOM 1079 CA LEU A 655 -4.693 9.312 -3.974 1.00 31.42 C ATOM 1080 C LEU A 655 -5.731 8.480 -3.265 1.00 22.52 C ATOM 1081 O LEU A 655 -5.927 7.308 -3.569 1.00 50.31 O ATOM 1082 CB LEU A 655 -3.418 8.494 -4.147 1.00 24.32 C ATOM 1083 CG LEU A 655 -2.214 9.221 -4.730 1.00 44.10 C ATOM 1084 CD1 LEU A 655 -1.082 8.248 -4.964 1.00 43.54 C ATOM 1085 CD2 LEU A 655 -2.582 9.958 -6.004 1.00 2.43 C ATOM 0 H LEU A 655 -3.910 10.359 -2.340 1.00 33.23 H new ATOM 0 HA LEU A 655 -5.070 9.600 -4.955 1.00 31.42 H new ATOM 0 HB2 LEU A 655 -3.135 8.094 -3.173 1.00 24.32 H new ATOM 0 HB3 LEU A 655 -3.644 7.642 -4.788 1.00 24.32 H new ATOM 0 HG LEU A 655 -1.880 9.969 -4.011 1.00 44.10 H new ATOM 0 HD11 LEU A 655 -0.226 8.779 -5.381 1.00 43.54 H new ATOM 0 HD12 LEU A 655 -0.797 7.787 -4.018 1.00 43.54 H new ATOM 0 HD13 LEU A 655 -1.405 7.475 -5.662 1.00 43.54 H new ATOM 0 HD21 LEU A 655 -1.702 10.467 -6.397 1.00 2.43 H new ATOM 0 HD22 LEU A 655 -2.949 9.246 -6.743 1.00 2.43 H new ATOM 0 HD23 LEU A 655 -3.360 10.691 -5.789 1.00 2.43 H new ATOM 1093 N GLY A 656 -6.377 9.078 -2.323 1.00 23.03 N ATOM 1094 CA GLY A 656 -7.385 8.410 -1.604 1.00 22.53 C ATOM 1095 C GLY A 656 -7.410 8.851 -0.194 1.00 2.13 C ATOM 1096 O GLY A 656 -6.394 8.761 0.526 1.00 42.20 O ATOM 0 H GLY A 656 -6.215 10.043 -2.036 1.00 23.03 H new ATOM 0 HA2 GLY A 656 -8.354 8.601 -2.066 1.00 22.53 H new ATOM 0 HA3 GLY A 656 -7.217 7.334 -1.649 1.00 22.53 H new ATOM 1100 N ARG A 657 -8.544 9.351 0.220 1.00 4.41 N ATOM 1101 CA ARG A 657 -8.717 9.767 1.561 1.00 14.04 C ATOM 1102 C ARG A 657 -8.720 8.588 2.489 1.00 43.51 C ATOM 1103 O ARG A 657 -8.936 7.443 2.049 1.00 13.30 O ATOM 1104 CB ARG A 657 -9.949 10.649 1.718 1.00 4.51 C ATOM 1105 CG ARG A 657 -9.739 12.039 1.150 1.00 1.43 C ATOM 1106 CD ARG A 657 -10.982 12.902 1.232 1.00 30.31 C ATOM 1107 NE ARG A 657 -12.064 12.389 0.387 1.00 62.54 N ATOM 1108 CZ ARG A 657 -12.896 13.155 -0.328 1.00 23.12 C ATOM 1109 NH1 ARG A 657 -12.797 14.473 -0.275 1.00 32.02 N ATOM 1110 NH2 ARG A 657 -13.820 12.602 -1.094 1.00 71.31 N ATOM 0 H ARG A 657 -9.365 9.476 -0.372 1.00 4.41 H new ATOM 0 HA ARG A 657 -7.865 10.387 1.841 1.00 14.04 H new ATOM 0 HB2 ARG A 657 -10.796 10.179 1.218 1.00 4.51 H new ATOM 0 HB3 ARG A 657 -10.206 10.726 2.775 1.00 4.51 H new ATOM 0 HG2 ARG A 657 -8.927 12.528 1.689 1.00 1.43 H new ATOM 0 HG3 ARG A 657 -9.427 11.958 0.109 1.00 1.43 H new ATOM 0 HD2 ARG A 657 -11.322 12.950 2.266 1.00 30.31 H new ATOM 0 HD3 ARG A 657 -10.737 13.920 0.929 1.00 30.31 H new ATOM 0 HE ARG A 657 -12.192 11.378 0.341 1.00 62.54 H new ATOM 0 HH11 ARG A 657 -12.085 14.908 0.312 1.00 32.02 H new ATOM 0 HH12 ARG A 657 -13.433 15.055 -0.821 1.00 32.02 H new ATOM 0 HH21 ARG A 657 -13.902 11.586 -1.142 1.00 71.31 H new ATOM 0 HH22 ARG A 657 -14.452 13.191 -1.637 1.00 71.31 H new ATOM 1122 N SER A 658 -8.484 8.866 3.740 1.00 70.40 N ATOM 1123 CA SER A 658 -8.340 7.865 4.749 1.00 72.42 C ATOM 1124 C SER A 658 -9.544 6.942 4.829 1.00 61.40 C ATOM 1125 O SER A 658 -10.704 7.379 4.903 1.00 3.00 O ATOM 1126 CB SER A 658 -8.042 8.536 6.079 1.00 72.20 C ATOM 1127 OG SER A 658 -8.961 9.581 6.348 1.00 41.15 O ATOM 0 H SER A 658 -8.385 9.819 4.091 1.00 70.40 H new ATOM 0 HA SER A 658 -7.501 7.222 4.482 1.00 72.42 H new ATOM 0 HB2 SER A 658 -8.085 7.797 6.879 1.00 72.20 H new ATOM 0 HB3 SER A 658 -7.028 8.935 6.068 1.00 72.20 H new ATOM 0 HG SER A 658 -8.745 9.993 7.211 1.00 41.15 H new ATOM 1133 N ASN A 659 -9.258 5.678 4.770 1.00 21.24 N ATOM 1134 CA ASN A 659 -10.252 4.660 4.756 1.00 45.34 C ATOM 1135 C ASN A 659 -9.680 3.452 5.414 1.00 10.44 C ATOM 1136 O ASN A 659 -8.510 3.144 5.233 1.00 74.44 O ATOM 1137 CB ASN A 659 -10.627 4.341 3.321 1.00 62.45 C ATOM 1138 CG ASN A 659 -11.712 3.315 3.200 1.00 41.11 C ATOM 1139 OD1 ASN A 659 -12.576 3.198 4.056 1.00 34.01 O ATOM 1140 ND2 ASN A 659 -11.672 2.572 2.147 1.00 74.34 N ATOM 0 H ASN A 659 -8.303 5.321 4.729 1.00 21.24 H new ATOM 0 HA ASN A 659 -11.147 4.987 5.285 1.00 45.34 H new ATOM 0 HB2 ASN A 659 -10.948 5.257 2.826 1.00 62.45 H new ATOM 0 HB3 ASN A 659 -9.742 3.986 2.793 1.00 62.45 H new ATOM 0 HD21 ASN A 659 -12.380 1.852 2.004 1.00 74.34 H new ATOM 0 HD22 ASN A 659 -10.932 2.704 1.457 1.00 74.34 H new ATOM 1146 N ALA A 660 -10.459 2.777 6.171 1.00 42.31 N ATOM 1147 CA ALA A 660 -9.962 1.641 6.879 1.00 44.03 C ATOM 1148 C ALA A 660 -10.644 0.400 6.436 1.00 65.23 C ATOM 1149 O ALA A 660 -10.291 -0.693 6.874 1.00 22.34 O ATOM 1150 CB ALA A 660 -10.123 1.825 8.368 1.00 43.21 C ATOM 0 H ALA A 660 -11.446 2.984 6.322 1.00 42.31 H new ATOM 0 HA ALA A 660 -8.899 1.547 6.655 1.00 44.03 H new ATOM 0 HB1 ALA A 660 -9.738 0.947 8.887 1.00 43.21 H new ATOM 0 HB2 ALA A 660 -9.569 2.708 8.688 1.00 43.21 H new ATOM 0 HB3 ALA A 660 -11.179 1.953 8.607 1.00 43.21 H new ATOM 1156 N LYS A 661 -11.605 0.561 5.555 1.00 63.04 N ATOM 1157 CA LYS A 661 -12.387 -0.545 5.101 1.00 70.13 C ATOM 1158 C LYS A 661 -11.567 -1.401 4.159 1.00 13.23 C ATOM 1159 O LYS A 661 -11.275 -0.999 3.022 1.00 51.34 O ATOM 1160 CB LYS A 661 -13.663 -0.075 4.394 1.00 43.10 C ATOM 1161 CG LYS A 661 -14.501 0.932 5.155 1.00 63.40 C ATOM 1162 CD LYS A 661 -14.842 0.448 6.539 1.00 2.43 C ATOM 1163 CE LYS A 661 -15.872 1.349 7.183 1.00 65.12 C ATOM 1164 NZ LYS A 661 -15.410 2.750 7.308 1.00 60.11 N ATOM 0 H LYS A 661 -11.858 1.458 5.141 1.00 63.04 H new ATOM 0 HA LYS A 661 -12.679 -1.132 5.972 1.00 70.13 H new ATOM 0 HB2 LYS A 661 -13.385 0.362 3.435 1.00 43.10 H new ATOM 0 HB3 LYS A 661 -14.281 -0.947 4.180 1.00 43.10 H new ATOM 0 HG2 LYS A 661 -13.960 1.876 5.224 1.00 63.40 H new ATOM 0 HG3 LYS A 661 -15.420 1.130 4.603 1.00 63.40 H new ATOM 0 HD2 LYS A 661 -15.224 -0.572 6.489 1.00 2.43 H new ATOM 0 HD3 LYS A 661 -13.941 0.421 7.152 1.00 2.43 H new ATOM 0 HE2 LYS A 661 -16.789 1.325 6.594 1.00 65.12 H new ATOM 0 HE3 LYS A 661 -16.118 0.963 8.172 1.00 65.12 H new ATOM 0 HZ1 LYS A 661 -16.076 3.283 7.902 1.00 60.11 H new ATOM 0 HZ2 LYS A 661 -14.466 2.767 7.745 1.00 60.11 H new ATOM 0 HZ3 LYS A 661 -15.363 3.185 6.365 1.00 60.11 H new ATOM 1178 N LEU A 662 -11.178 -2.556 4.628 1.00 23.41 N ATOM 1179 CA LEU A 662 -10.435 -3.475 3.814 1.00 73.03 C ATOM 1180 C LEU A 662 -11.407 -4.279 2.983 1.00 20.32 C ATOM 1181 O LEU A 662 -12.567 -4.463 3.375 1.00 44.23 O ATOM 1182 CB LEU A 662 -9.596 -4.429 4.663 1.00 32.44 C ATOM 1183 CG LEU A 662 -8.510 -3.844 5.562 1.00 32.51 C ATOM 1184 CD1 LEU A 662 -7.715 -4.964 6.204 1.00 64.11 C ATOM 1185 CD2 LEU A 662 -7.600 -2.928 4.786 1.00 2.15 C ATOM 0 H LEU A 662 -11.366 -2.883 5.576 1.00 23.41 H new ATOM 0 HA LEU A 662 -9.757 -2.904 3.180 1.00 73.03 H new ATOM 0 HB2 LEU A 662 -10.279 -4.997 5.295 1.00 32.44 H new ATOM 0 HB3 LEU A 662 -9.120 -5.141 3.989 1.00 32.44 H new ATOM 0 HG LEU A 662 -8.989 -3.254 6.343 1.00 32.51 H new ATOM 0 HD11 LEU A 662 -6.941 -4.540 6.844 1.00 64.11 H new ATOM 0 HD12 LEU A 662 -8.381 -5.586 6.802 1.00 64.11 H new ATOM 0 HD13 LEU A 662 -7.250 -5.572 5.428 1.00 64.11 H new ATOM 0 HD21 LEU A 662 -6.836 -2.525 5.451 1.00 2.15 H new ATOM 0 HD22 LEU A 662 -7.123 -3.486 3.981 1.00 2.15 H new ATOM 0 HD23 LEU A 662 -8.182 -2.109 4.364 1.00 2.15 H new ATOM 1193 N SER A 663 -10.967 -4.732 1.848 1.00 50.02 N ATOM 1194 CA SER A 663 -11.802 -5.489 0.972 1.00 33.41 C ATOM 1195 C SER A 663 -11.179 -6.847 0.668 1.00 10.23 C ATOM 1196 O SER A 663 -9.973 -6.964 0.478 1.00 20.41 O ATOM 1197 CB SER A 663 -12.040 -4.694 -0.297 1.00 72.24 C ATOM 1198 OG SER A 663 -12.667 -3.451 0.014 1.00 24.35 O ATOM 0 H SER A 663 -10.018 -4.586 1.505 1.00 50.02 H new ATOM 0 HA SER A 663 -12.760 -5.677 1.456 1.00 33.41 H new ATOM 0 HB2 SER A 663 -11.093 -4.515 -0.806 1.00 72.24 H new ATOM 0 HB3 SER A 663 -12.667 -5.265 -0.981 1.00 72.24 H new ATOM 0 HG SER A 663 -12.815 -2.944 -0.811 1.00 24.35 H new ATOM 1204 N TYR A 664 -11.981 -7.864 0.645 1.00 60.22 N ATOM 1205 CA TYR A 664 -11.471 -9.180 0.367 1.00 43.52 C ATOM 1206 C TYR A 664 -12.071 -9.634 -0.945 1.00 53.12 C ATOM 1207 O TYR A 664 -13.235 -9.334 -1.232 1.00 61.25 O ATOM 1208 CB TYR A 664 -11.861 -10.165 1.492 1.00 1.21 C ATOM 1209 CG TYR A 664 -11.003 -11.401 1.601 1.00 30.02 C ATOM 1210 CD1 TYR A 664 -10.954 -12.342 0.590 1.00 32.12 C ATOM 1211 CD2 TYR A 664 -10.213 -11.600 2.708 1.00 65.43 C ATOM 1212 CE1 TYR A 664 -10.145 -13.448 0.678 1.00 22.13 C ATOM 1213 CE2 TYR A 664 -9.392 -12.701 2.802 1.00 63.42 C ATOM 1214 CZ TYR A 664 -9.363 -13.623 1.783 1.00 11.01 C ATOM 1215 OH TYR A 664 -8.531 -14.726 1.868 1.00 30.34 O ATOM 0 H TYR A 664 -12.986 -7.816 0.813 1.00 60.22 H new ATOM 0 HA TYR A 664 -10.383 -9.155 0.309 1.00 43.52 H new ATOM 0 HB2 TYR A 664 -11.826 -9.635 2.444 1.00 1.21 H new ATOM 0 HB3 TYR A 664 -12.895 -10.474 1.338 1.00 1.21 H new ATOM 0 HD1 TYR A 664 -11.566 -12.204 -0.289 1.00 32.12 H new ATOM 0 HD2 TYR A 664 -10.237 -10.883 3.515 1.00 65.43 H new ATOM 0 HE1 TYR A 664 -10.128 -14.174 -0.121 1.00 22.13 H new ATOM 0 HE2 TYR A 664 -8.772 -12.840 3.675 1.00 63.42 H new ATOM 0 HH TYR A 664 -8.217 -14.829 2.791 1.00 30.34 H new ATOM 1225 N TYR A 665 -11.263 -10.274 -1.739 1.00 0.42 N ATOM 1226 CA TYR A 665 -11.646 -10.875 -2.987 1.00 53.30 C ATOM 1227 C TYR A 665 -11.215 -12.298 -2.889 1.00 63.22 C ATOM 1228 O TYR A 665 -10.149 -12.538 -2.333 1.00 1.13 O ATOM 1229 CB TYR A 665 -10.894 -10.212 -4.120 1.00 72.13 C ATOM 1230 CG TYR A 665 -11.318 -8.813 -4.336 1.00 31.15 C ATOM 1231 CD1 TYR A 665 -10.813 -7.785 -3.573 1.00 41.21 C ATOM 1232 CD2 TYR A 665 -12.242 -8.523 -5.296 1.00 1.01 C ATOM 1233 CE1 TYR A 665 -11.223 -6.502 -3.772 1.00 2.13 C ATOM 1234 CE2 TYR A 665 -12.658 -7.253 -5.504 1.00 13.14 C ATOM 1235 CZ TYR A 665 -12.146 -6.235 -4.738 1.00 40.42 C ATOM 1236 OH TYR A 665 -12.546 -4.944 -4.951 1.00 20.43 O ATOM 0 H TYR A 665 -10.273 -10.398 -1.526 1.00 0.42 H new ATOM 0 HA TYR A 665 -12.715 -10.775 -3.175 1.00 53.30 H new ATOM 0 HB2 TYR A 665 -9.825 -10.236 -3.906 1.00 72.13 H new ATOM 0 HB3 TYR A 665 -11.048 -10.781 -5.037 1.00 72.13 H new ATOM 0 HD1 TYR A 665 -10.082 -7.999 -2.807 1.00 41.21 H new ATOM 0 HD2 TYR A 665 -12.648 -9.321 -5.900 1.00 1.01 H new ATOM 0 HE1 TYR A 665 -10.820 -5.702 -3.169 1.00 2.13 H new ATOM 0 HE2 TYR A 665 -13.390 -7.041 -6.269 1.00 13.14 H new ATOM 0 HH TYR A 665 -13.207 -4.921 -5.674 1.00 20.43 H new ATOM 1246 N ASP A 666 -11.990 -13.250 -3.378 1.00 20.40 N ATOM 1247 CA ASP A 666 -11.574 -14.658 -3.206 1.00 74.32 C ATOM 1248 C ASP A 666 -10.193 -14.877 -3.802 1.00 4.20 C ATOM 1249 O ASP A 666 -9.971 -14.667 -5.005 1.00 73.32 O ATOM 1250 CB ASP A 666 -12.576 -15.650 -3.805 1.00 72.15 C ATOM 1251 CG ASP A 666 -12.143 -17.094 -3.594 1.00 43.35 C ATOM 1252 OD1 ASP A 666 -12.387 -17.641 -2.507 1.00 20.43 O ATOM 1253 OD2 ASP A 666 -11.537 -17.701 -4.512 1.00 15.34 O ATOM 0 H ASP A 666 -12.869 -13.103 -3.875 1.00 20.40 H new ATOM 0 HA ASP A 666 -11.542 -14.850 -2.133 1.00 74.32 H new ATOM 0 HB2 ASP A 666 -13.555 -15.495 -3.352 1.00 72.15 H new ATOM 0 HB3 ASP A 666 -12.685 -15.456 -4.872 1.00 72.15 H new ATOM 1258 N GLY A 667 -9.269 -15.276 -2.962 1.00 72.33 N ATOM 1259 CA GLY A 667 -7.921 -15.456 -3.387 1.00 41.31 C ATOM 1260 C GLY A 667 -6.957 -14.527 -2.665 1.00 43.33 C ATOM 1261 O GLY A 667 -5.924 -14.974 -2.166 1.00 11.31 O ATOM 0 H GLY A 667 -9.437 -15.481 -1.977 1.00 72.33 H new ATOM 0 HA2 GLY A 667 -7.623 -16.490 -3.214 1.00 41.31 H new ATOM 0 HA3 GLY A 667 -7.855 -15.281 -4.461 1.00 41.31 H new ATOM 1265 N MET A 668 -7.299 -13.238 -2.576 1.00 14.22 N ATOM 1266 CA MET A 668 -6.397 -12.263 -1.978 1.00 63.43 C ATOM 1267 C MET A 668 -7.110 -11.017 -1.452 1.00 14.21 C ATOM 1268 O MET A 668 -8.252 -10.742 -1.797 1.00 64.23 O ATOM 1269 CB MET A 668 -5.171 -11.890 -2.868 1.00 62.03 C ATOM 1270 CG MET A 668 -5.379 -11.135 -4.217 1.00 15.32 C ATOM 1271 SD MET A 668 -6.211 -12.058 -5.557 1.00 21.32 S ATOM 1272 CE MET A 668 -7.946 -11.757 -5.234 1.00 4.12 C ATOM 0 H MET A 668 -8.184 -12.854 -2.907 1.00 14.22 H new ATOM 0 HA MET A 668 -5.990 -12.786 -1.113 1.00 63.43 H new ATOM 0 HB2 MET A 668 -4.502 -11.283 -2.258 1.00 62.03 H new ATOM 0 HB3 MET A 668 -4.643 -12.816 -3.095 1.00 62.03 H new ATOM 0 HG2 MET A 668 -5.957 -10.233 -4.016 1.00 15.32 H new ATOM 0 HG3 MET A 668 -4.403 -10.814 -4.581 1.00 15.32 H new ATOM 0 HE1 MET A 668 -8.480 -12.707 -5.200 1.00 4.12 H new ATOM 0 HE2 MET A 668 -8.055 -11.245 -4.278 1.00 4.12 H new ATOM 0 HE3 MET A 668 -8.361 -11.135 -6.027 1.00 4.12 H new ATOM 1282 N ILE A 669 -6.417 -10.265 -0.641 1.00 50.21 N ATOM 1283 CA ILE A 669 -6.975 -9.087 -0.011 1.00 53.53 C ATOM 1284 C ILE A 669 -6.588 -7.842 -0.826 1.00 44.23 C ATOM 1285 O ILE A 669 -5.480 -7.758 -1.342 1.00 73.20 O ATOM 1286 CB ILE A 669 -6.499 -8.897 1.499 1.00 22.51 C ATOM 1287 CG1 ILE A 669 -6.785 -10.138 2.396 1.00 51.53 C ATOM 1288 CG2 ILE A 669 -7.169 -7.678 2.125 1.00 3.41 C ATOM 1289 CD1 ILE A 669 -5.923 -11.363 2.126 1.00 61.24 C ATOM 0 H ILE A 669 -5.444 -10.448 -0.394 1.00 50.21 H new ATOM 0 HA ILE A 669 -8.057 -9.220 0.010 1.00 53.53 H new ATOM 0 HB ILE A 669 -5.419 -8.760 1.453 1.00 22.51 H new ATOM 0 HG12 ILE A 669 -6.654 -9.847 3.438 1.00 51.53 H new ATOM 0 HG13 ILE A 669 -7.831 -10.419 2.273 1.00 51.53 H new ATOM 0 HG21 ILE A 669 -6.831 -7.566 3.155 1.00 3.41 H new ATOM 0 HG22 ILE A 669 -6.905 -6.786 1.557 1.00 3.41 H new ATOM 0 HG23 ILE A 669 -8.251 -7.810 2.111 1.00 3.41 H new ATOM 0 HD11 ILE A 669 -6.208 -12.165 2.807 1.00 61.24 H new ATOM 0 HD12 ILE A 669 -6.069 -11.691 1.097 1.00 61.24 H new ATOM 0 HD13 ILE A 669 -4.874 -11.111 2.281 1.00 61.24 H new ATOM 1296 N GLN A 670 -7.505 -6.926 -0.974 1.00 54.43 N ATOM 1297 CA GLN A 670 -7.256 -5.673 -1.662 1.00 12.02 C ATOM 1298 C GLN A 670 -7.770 -4.527 -0.821 1.00 61.32 C ATOM 1299 O GLN A 670 -8.776 -4.646 -0.136 1.00 51.32 O ATOM 1300 CB GLN A 670 -7.874 -5.647 -3.083 1.00 64.33 C ATOM 1301 CG GLN A 670 -7.102 -6.450 -4.146 1.00 51.54 C ATOM 1302 CD GLN A 670 -7.834 -6.576 -5.480 1.00 35.22 C ATOM 1303 OE1 GLN A 670 -7.658 -7.552 -6.202 1.00 71.31 O ATOM 1304 NE2 GLN A 670 -8.653 -5.606 -5.816 1.00 42.12 N ATOM 0 H GLN A 670 -8.457 -7.022 -0.620 1.00 54.43 H new ATOM 0 HA GLN A 670 -6.179 -5.568 -1.796 1.00 12.02 H new ATOM 0 HB2 GLN A 670 -8.892 -6.033 -3.027 1.00 64.33 H new ATOM 0 HB3 GLN A 670 -7.944 -4.611 -3.413 1.00 64.33 H new ATOM 0 HG2 GLN A 670 -6.136 -5.974 -4.316 1.00 51.54 H new ATOM 0 HG3 GLN A 670 -6.901 -7.448 -3.758 1.00 51.54 H new ATOM 0 HE21 GLN A 670 -8.779 -4.807 -5.195 1.00 42.12 H new ATOM 0 HE22 GLN A 670 -9.163 -5.652 -6.698 1.00 42.12 H new ATOM 1312 N LEU A 671 -7.104 -3.432 -0.861 1.00 0.32 N ATOM 1313 CA LEU A 671 -7.518 -2.313 -0.076 1.00 71.33 C ATOM 1314 C LEU A 671 -7.845 -1.214 -1.044 1.00 23.35 C ATOM 1315 O LEU A 671 -7.030 -0.860 -1.891 1.00 1.05 O ATOM 1316 CB LEU A 671 -6.369 -1.890 0.873 1.00 11.13 C ATOM 1317 CG LEU A 671 -6.709 -1.010 2.102 1.00 35.32 C ATOM 1318 CD1 LEU A 671 -5.456 -0.689 2.885 1.00 35.12 C ATOM 1319 CD2 LEU A 671 -7.460 0.258 1.756 1.00 32.11 C ATOM 0 H LEU A 671 -6.269 -3.280 -1.427 1.00 0.32 H new ATOM 0 HA LEU A 671 -8.383 -2.549 0.543 1.00 71.33 H new ATOM 0 HB2 LEU A 671 -5.890 -2.798 1.238 1.00 11.13 H new ATOM 0 HB3 LEU A 671 -5.628 -1.356 0.278 1.00 11.13 H new ATOM 0 HG LEU A 671 -7.386 -1.601 2.720 1.00 35.32 H new ATOM 0 HD11 LEU A 671 -5.713 -0.070 3.745 1.00 35.12 H new ATOM 0 HD12 LEU A 671 -4.995 -1.615 3.229 1.00 35.12 H new ATOM 0 HD13 LEU A 671 -4.756 -0.150 2.246 1.00 35.12 H new ATOM 0 HD21 LEU A 671 -7.662 0.821 2.667 1.00 32.11 H new ATOM 0 HD22 LEU A 671 -6.857 0.865 1.080 1.00 32.11 H new ATOM 0 HD23 LEU A 671 -8.402 0.002 1.271 1.00 32.11 H new ATOM 1327 N THR A 672 -9.032 -0.714 -0.945 1.00 45.12 N ATOM 1328 CA THR A 672 -9.496 0.308 -1.815 1.00 43.20 C ATOM 1329 C THR A 672 -9.659 1.589 -1.018 1.00 70.43 C ATOM 1330 O THR A 672 -10.327 1.597 0.002 1.00 42.12 O ATOM 1331 CB THR A 672 -10.863 -0.105 -2.397 1.00 2.45 C ATOM 1332 OG1 THR A 672 -10.761 -1.451 -2.896 1.00 71.21 O ATOM 1333 CG2 THR A 672 -11.260 0.818 -3.541 1.00 34.14 C ATOM 0 H THR A 672 -9.714 -1.010 -0.247 1.00 45.12 H new ATOM 0 HA THR A 672 -8.784 0.461 -2.626 1.00 43.20 H new ATOM 0 HB THR A 672 -11.619 -0.039 -1.615 1.00 2.45 H new ATOM 0 HG1 THR A 672 -11.624 -1.728 -3.268 1.00 71.21 H new ATOM 0 HG21 THR A 672 -12.227 0.510 -3.938 1.00 34.14 H new ATOM 0 HG22 THR A 672 -11.327 1.843 -3.175 1.00 34.14 H new ATOM 0 HG23 THR A 672 -10.510 0.763 -4.330 1.00 34.14 H new ATOM 1339 N TYR A 673 -9.032 2.643 -1.444 1.00 2.03 N ATOM 1340 CA TYR A 673 -9.198 3.911 -0.779 1.00 73.52 C ATOM 1341 C TYR A 673 -10.246 4.754 -1.430 1.00 12.31 C ATOM 1342 O TYR A 673 -10.860 4.349 -2.427 1.00 54.33 O ATOM 1343 CB TYR A 673 -7.893 4.665 -0.618 1.00 64.32 C ATOM 1344 CG TYR A 673 -7.070 4.179 0.531 1.00 62.43 C ATOM 1345 CD1 TYR A 673 -7.413 4.551 1.810 1.00 0.11 C ATOM 1346 CD2 TYR A 673 -5.973 3.346 0.359 1.00 61.14 C ATOM 1347 CE1 TYR A 673 -6.712 4.118 2.891 1.00 12.34 C ATOM 1348 CE2 TYR A 673 -5.249 2.906 1.456 1.00 44.35 C ATOM 1349 CZ TYR A 673 -5.639 3.303 2.725 1.00 63.45 C ATOM 1350 OH TYR A 673 -4.972 2.866 3.823 1.00 61.32 O ATOM 0 H TYR A 673 -8.402 2.657 -2.246 1.00 2.03 H new ATOM 0 HA TYR A 673 -9.548 3.680 0.227 1.00 73.52 H new ATOM 0 HB2 TYR A 673 -7.313 4.574 -1.536 1.00 64.32 H new ATOM 0 HB3 TYR A 673 -8.108 5.725 -0.480 1.00 64.32 H new ATOM 0 HD1 TYR A 673 -8.261 5.204 1.959 1.00 0.11 H new ATOM 0 HD2 TYR A 673 -5.682 3.039 -0.635 1.00 61.14 H new ATOM 0 HE1 TYR A 673 -7.009 4.423 3.884 1.00 12.34 H new ATOM 0 HE2 TYR A 673 -4.392 2.262 1.323 1.00 44.35 H new ATOM 0 HH TYR A 673 -4.009 2.867 3.643 1.00 61.32 H new ATOM 1360 N ARG A 674 -10.476 5.909 -0.863 1.00 51.32 N ATOM 1361 CA ARG A 674 -11.513 6.774 -1.334 1.00 64.45 C ATOM 1362 C ARG A 674 -11.129 7.551 -2.555 1.00 74.11 C ATOM 1363 O ARG A 674 -10.010 7.479 -3.024 1.00 51.30 O ATOM 1364 CB ARG A 674 -12.020 7.690 -0.246 1.00 1.44 C ATOM 1365 CG ARG A 674 -12.634 6.949 0.930 1.00 50.51 C ATOM 1366 CD ARG A 674 -13.742 5.995 0.461 1.00 55.10 C ATOM 1367 NE ARG A 674 -14.734 6.692 -0.375 1.00 75.20 N ATOM 1368 CZ ARG A 674 -15.301 6.193 -1.490 1.00 22.41 C ATOM 1369 NH1 ARG A 674 -15.107 4.919 -1.837 1.00 55.23 N ATOM 1370 NH2 ARG A 674 -16.083 6.964 -2.234 1.00 52.50 N ATOM 0 H ARG A 674 -9.951 6.271 -0.067 1.00 51.32 H new ATOM 0 HA ARG A 674 -12.329 6.116 -1.630 1.00 64.45 H new ATOM 0 HB2 ARG A 674 -11.196 8.306 0.113 1.00 1.44 H new ATOM 0 HB3 ARG A 674 -12.764 8.366 -0.668 1.00 1.44 H new ATOM 0 HG2 ARG A 674 -11.861 6.386 1.453 1.00 50.51 H new ATOM 0 HG3 ARG A 674 -13.043 7.665 1.642 1.00 50.51 H new ATOM 0 HD2 ARG A 674 -13.302 5.173 -0.104 1.00 55.10 H new ATOM 0 HD3 ARG A 674 -14.238 5.557 1.327 1.00 55.10 H new ATOM 0 HE ARG A 674 -15.015 7.629 -0.086 1.00 75.20 H new ATOM 0 HH11 ARG A 674 -14.526 4.315 -1.256 1.00 55.23 H new ATOM 0 HH12 ARG A 674 -15.540 4.549 -2.683 1.00 55.23 H new ATOM 0 HH21 ARG A 674 -16.253 7.932 -1.961 1.00 52.50 H new ATOM 0 HH22 ARG A 674 -16.514 6.589 -3.079 1.00 52.50 H new ATOM 1382 N ASP A 675 -12.080 8.305 -3.026 1.00 1.03 N ATOM 1383 CA ASP A 675 -11.991 9.068 -4.247 1.00 13.43 C ATOM 1384 C ASP A 675 -10.983 10.232 -4.139 1.00 44.12 C ATOM 1385 O ASP A 675 -10.326 10.576 -5.107 1.00 65.02 O ATOM 1386 CB ASP A 675 -13.394 9.567 -4.602 1.00 3.44 C ATOM 1387 CG ASP A 675 -13.964 10.542 -3.607 1.00 33.54 C ATOM 1388 OD1 ASP A 675 -14.123 10.177 -2.408 1.00 23.34 O ATOM 1389 OD2 ASP A 675 -14.294 11.675 -4.005 1.00 41.52 O ATOM 0 H ASP A 675 -12.978 8.412 -2.553 1.00 1.03 H new ATOM 0 HA ASP A 675 -11.613 8.427 -5.043 1.00 13.43 H new ATOM 0 HB2 ASP A 675 -13.363 10.041 -5.583 1.00 3.44 H new ATOM 0 HB3 ASP A 675 -14.064 8.711 -4.682 1.00 3.44 H new ATOM 1394 N GLY A 676 -10.906 10.838 -2.959 1.00 41.24 N ATOM 1395 CA GLY A 676 -9.914 11.885 -2.688 1.00 60.43 C ATOM 1396 C GLY A 676 -9.936 13.048 -3.676 1.00 71.41 C ATOM 1397 O GLY A 676 -10.983 13.662 -3.902 1.00 70.42 O ATOM 0 H GLY A 676 -11.517 10.625 -2.171 1.00 41.24 H new ATOM 0 HA2 GLY A 676 -10.081 12.275 -1.684 1.00 60.43 H new ATOM 0 HA3 GLY A 676 -8.920 11.437 -2.695 1.00 60.43 H new ATOM 1401 N THR A 677 -8.788 13.341 -4.257 1.00 11.30 N ATOM 1402 CA THR A 677 -8.649 14.419 -5.203 1.00 42.51 C ATOM 1403 C THR A 677 -8.673 13.867 -6.639 1.00 11.32 C ATOM 1404 O THR A 677 -7.964 12.924 -6.946 1.00 41.43 O ATOM 1405 CB THR A 677 -7.314 15.184 -4.963 1.00 12.43 C ATOM 1406 OG1 THR A 677 -7.324 15.760 -3.652 1.00 63.10 O ATOM 1407 CG2 THR A 677 -7.085 16.283 -5.997 1.00 33.42 C ATOM 0 H THR A 677 -7.923 12.831 -4.081 1.00 11.30 H new ATOM 0 HA THR A 677 -9.483 15.108 -5.066 1.00 42.51 H new ATOM 0 HB THR A 677 -6.500 14.465 -5.059 1.00 12.43 H new ATOM 0 HG1 THR A 677 -6.484 16.240 -3.499 1.00 63.10 H new ATOM 0 HG21 THR A 677 -6.142 16.788 -5.788 1.00 33.42 H new ATOM 0 HG22 THR A 677 -7.048 15.843 -6.994 1.00 33.42 H new ATOM 0 HG23 THR A 677 -7.901 17.004 -5.949 1.00 33.42 H new ATOM 1413 N PRO A 678 -9.510 14.425 -7.516 1.00 31.51 N ATOM 1414 CA PRO A 678 -9.572 14.025 -8.915 1.00 33.13 C ATOM 1415 C PRO A 678 -8.366 14.534 -9.711 1.00 51.14 C ATOM 1416 O PRO A 678 -7.729 15.505 -9.312 1.00 63.43 O ATOM 1417 CB PRO A 678 -10.871 14.644 -9.396 1.00 41.04 C ATOM 1418 CG PRO A 678 -10.974 15.884 -8.591 1.00 14.15 C ATOM 1419 CD PRO A 678 -10.488 15.494 -7.223 1.00 60.13 C ATOM 0 HA PRO A 678 -9.544 12.943 -9.047 1.00 33.13 H new ATOM 0 HB2 PRO A 678 -10.843 14.859 -10.464 1.00 41.04 H new ATOM 0 HB3 PRO A 678 -11.720 13.982 -9.226 1.00 41.04 H new ATOM 0 HG2 PRO A 678 -10.365 16.683 -9.015 1.00 14.15 H new ATOM 0 HG3 PRO A 678 -12.000 16.250 -8.557 1.00 14.15 H new ATOM 0 HD2 PRO A 678 -10.026 16.333 -6.703 1.00 60.13 H new ATOM 0 HD3 PRO A 678 -11.301 15.136 -6.591 1.00 60.13 H new ATOM 1427 N TYR A 679 -8.042 13.827 -10.809 1.00 11.04 N ATOM 1428 CA TYR A 679 -6.860 14.126 -11.666 1.00 54.33 C ATOM 1429 C TYR A 679 -6.700 15.622 -11.938 1.00 71.14 C ATOM 1430 O TYR A 679 -5.839 16.262 -11.339 1.00 72.44 O ATOM 1431 CB TYR A 679 -6.905 13.378 -13.011 1.00 20.05 C ATOM 1432 CG TYR A 679 -7.050 11.880 -12.914 1.00 3.00 C ATOM 1433 CD1 TYR A 679 -6.069 11.087 -12.332 1.00 2.23 C ATOM 1434 CD2 TYR A 679 -8.176 11.261 -13.406 1.00 52.15 C ATOM 1435 CE1 TYR A 679 -6.226 9.713 -12.253 1.00 3.23 C ATOM 1436 CE2 TYR A 679 -8.334 9.898 -13.327 1.00 22.43 C ATOM 1437 CZ TYR A 679 -7.362 9.135 -12.754 1.00 43.32 C ATOM 1438 OH TYR A 679 -7.529 7.783 -12.685 1.00 45.23 O ATOM 0 H TYR A 679 -8.588 13.029 -11.135 1.00 11.04 H new ATOM 0 HA TYR A 679 -6.000 13.776 -11.095 1.00 54.33 H new ATOM 0 HB2 TYR A 679 -7.737 13.769 -13.597 1.00 20.05 H new ATOM 0 HB3 TYR A 679 -5.992 13.603 -13.563 1.00 20.05 H new ATOM 0 HD1 TYR A 679 -5.175 11.546 -11.937 1.00 2.23 H new ATOM 0 HD2 TYR A 679 -8.951 11.858 -13.863 1.00 52.15 H new ATOM 0 HE1 TYR A 679 -5.459 9.103 -11.800 1.00 3.23 H new ATOM 0 HE2 TYR A 679 -9.227 9.433 -13.718 1.00 22.43 H new ATOM 0 HH TYR A 679 -7.355 7.478 -11.770 1.00 45.23 H new ATOM 1533 N THR A 685 -12.253 13.196 -12.500 1.00 53.53 N ATOM 1534 CA THR A 685 -12.239 11.817 -12.157 1.00 71.22 C ATOM 1535 C THR A 685 -11.314 11.610 -10.949 1.00 62.25 C ATOM 1536 O THR A 685 -10.125 11.965 -11.007 1.00 31.03 O ATOM 1537 CB THR A 685 -11.753 10.977 -13.343 1.00 31.11 C ATOM 1538 OG1 THR A 685 -12.578 11.244 -14.507 1.00 23.53 O ATOM 1539 CG2 THR A 685 -11.815 9.510 -12.998 1.00 70.50 C ATOM 0 HA THR A 685 -13.250 11.498 -11.903 1.00 71.22 H new ATOM 0 HB THR A 685 -10.720 11.245 -13.567 1.00 31.11 H new ATOM 0 HG1 THR A 685 -12.835 12.190 -14.516 1.00 23.53 H new ATOM 0 HG21 THR A 685 -11.468 8.922 -13.847 1.00 70.50 H new ATOM 0 HG22 THR A 685 -11.179 9.312 -12.135 1.00 70.50 H new ATOM 0 HG23 THR A 685 -12.843 9.235 -12.762 1.00 70.50 H new ATOM 1545 N PRO A 686 -11.852 11.070 -9.848 1.00 71.13 N ATOM 1546 CA PRO A 686 -11.118 10.860 -8.587 1.00 72.05 C ATOM 1547 C PRO A 686 -9.903 9.937 -8.708 1.00 25.13 C ATOM 1548 O PRO A 686 -9.909 8.974 -9.484 1.00 23.11 O ATOM 1549 CB PRO A 686 -12.165 10.227 -7.677 1.00 23.52 C ATOM 1550 CG PRO A 686 -13.174 9.650 -8.591 1.00 62.14 C ATOM 1551 CD PRO A 686 -13.240 10.590 -9.739 1.00 42.14 C ATOM 0 HA PRO A 686 -10.699 11.799 -8.225 1.00 72.05 H new ATOM 0 HB2 PRO A 686 -11.723 9.459 -7.043 1.00 23.52 H new ATOM 0 HB3 PRO A 686 -12.612 10.969 -7.015 1.00 23.52 H new ATOM 0 HG2 PRO A 686 -12.885 8.651 -8.916 1.00 62.14 H new ATOM 0 HG3 PRO A 686 -14.143 9.558 -8.101 1.00 62.14 H new ATOM 0 HD2 PRO A 686 -13.569 10.092 -10.651 1.00 42.14 H new ATOM 0 HD3 PRO A 686 -13.937 11.407 -9.553 1.00 42.14 H new ATOM 1559 N ARG A 687 -8.855 10.261 -7.973 1.00 74.32 N ATOM 1560 CA ARG A 687 -7.675 9.433 -7.919 1.00 2.11 C ATOM 1561 C ARG A 687 -7.816 8.505 -6.726 1.00 42.22 C ATOM 1562 O ARG A 687 -7.996 8.967 -5.608 1.00 15.32 O ATOM 1563 CB ARG A 687 -6.404 10.284 -7.737 1.00 11.13 C ATOM 1564 CG ARG A 687 -6.144 11.323 -8.817 1.00 73.11 C ATOM 1565 CD ARG A 687 -4.814 12.028 -8.572 1.00 22.03 C ATOM 1566 NE ARG A 687 -4.569 13.151 -9.493 1.00 4.24 N ATOM 1567 CZ ARG A 687 -3.568 13.225 -10.408 1.00 71.40 C ATOM 1568 NH1 ARG A 687 -2.821 12.146 -10.698 1.00 14.11 N ATOM 1569 NH2 ARG A 687 -3.350 14.369 -11.062 1.00 4.11 N ATOM 0 H ARG A 687 -8.802 11.103 -7.400 1.00 74.32 H new ATOM 0 HA ARG A 687 -7.583 8.878 -8.853 1.00 2.11 H new ATOM 0 HB2 ARG A 687 -6.465 10.794 -6.776 1.00 11.13 H new ATOM 0 HB3 ARG A 687 -5.545 9.615 -7.689 1.00 11.13 H new ATOM 0 HG2 ARG A 687 -6.133 10.844 -9.796 1.00 73.11 H new ATOM 0 HG3 ARG A 687 -6.953 12.054 -8.829 1.00 73.11 H new ATOM 0 HD2 ARG A 687 -4.790 12.397 -7.547 1.00 22.03 H new ATOM 0 HD3 ARG A 687 -4.004 11.305 -8.669 1.00 22.03 H new ATOM 0 HE ARG A 687 -5.208 13.944 -9.439 1.00 4.24 H new ATOM 0 HH11 ARG A 687 -3.003 11.259 -10.229 1.00 14.11 H new ATOM 0 HH12 ARG A 687 -2.072 12.214 -11.387 1.00 14.11 H new ATOM 0 HH21 ARG A 687 -3.934 15.183 -10.874 1.00 4.11 H new ATOM 0 HH22 ARG A 687 -2.599 14.428 -11.750 1.00 4.11 H new ATOM 1581 N ALA A 688 -7.709 7.227 -6.949 1.00 51.21 N ATOM 1582 CA ALA A 688 -7.885 6.271 -5.878 1.00 5.43 C ATOM 1583 C ALA A 688 -6.707 5.333 -5.824 1.00 32.04 C ATOM 1584 O ALA A 688 -5.920 5.275 -6.754 1.00 31.21 O ATOM 1585 CB ALA A 688 -9.173 5.476 -6.089 1.00 63.22 C ATOM 0 H ALA A 688 -7.501 6.817 -7.859 1.00 51.21 H new ATOM 0 HA ALA A 688 -7.953 6.811 -4.934 1.00 5.43 H new ATOM 0 HB1 ALA A 688 -9.295 4.759 -5.277 1.00 63.22 H new ATOM 0 HB2 ALA A 688 -10.023 6.158 -6.102 1.00 63.22 H new ATOM 0 HB3 ALA A 688 -9.120 4.943 -7.038 1.00 63.22 H new ATOM 1591 N THR A 689 -6.579 4.625 -4.739 1.00 44.31 N ATOM 1592 CA THR A 689 -5.506 3.683 -4.562 1.00 34.02 C ATOM 1593 C THR A 689 -6.067 2.294 -4.280 1.00 11.23 C ATOM 1594 O THR A 689 -6.993 2.138 -3.454 1.00 31.03 O ATOM 1595 CB THR A 689 -4.580 4.127 -3.408 1.00 53.34 C ATOM 1596 OG1 THR A 689 -4.032 5.404 -3.714 1.00 63.31 O ATOM 1597 CG2 THR A 689 -3.448 3.137 -3.180 1.00 5.13 C ATOM 0 H THR A 689 -7.218 4.684 -3.946 1.00 44.31 H new ATOM 0 HA THR A 689 -4.921 3.648 -5.481 1.00 34.02 H new ATOM 0 HB THR A 689 -5.175 4.173 -2.496 1.00 53.34 H new ATOM 0 HG1 THR A 689 -4.736 6.084 -3.658 1.00 63.31 H new ATOM 0 HG21 THR A 689 -2.819 3.485 -2.360 1.00 5.13 H new ATOM 0 HG22 THR A 689 -3.863 2.161 -2.929 1.00 5.13 H new ATOM 0 HG23 THR A 689 -2.849 3.054 -4.087 1.00 5.13 H new ATOM 1603 N LEU A 690 -5.541 1.311 -4.974 1.00 21.03 N ATOM 1604 CA LEU A 690 -5.934 -0.041 -4.795 1.00 35.00 C ATOM 1605 C LEU A 690 -4.672 -0.829 -4.479 1.00 13.31 C ATOM 1606 O LEU A 690 -3.758 -0.932 -5.300 1.00 60.12 O ATOM 1607 CB LEU A 690 -6.612 -0.559 -6.096 1.00 24.11 C ATOM 1608 CG LEU A 690 -7.377 -1.914 -6.052 1.00 63.24 C ATOM 1609 CD1 LEU A 690 -6.491 -3.089 -5.695 1.00 32.22 C ATOM 1610 CD2 LEU A 690 -8.546 -1.831 -5.106 1.00 43.11 C ATOM 0 H LEU A 690 -4.821 1.444 -5.684 1.00 21.03 H new ATOM 0 HA LEU A 690 -6.655 -0.150 -3.984 1.00 35.00 H new ATOM 0 HB2 LEU A 690 -7.313 0.206 -6.430 1.00 24.11 H new ATOM 0 HB3 LEU A 690 -5.840 -0.640 -6.861 1.00 24.11 H new ATOM 0 HG LEU A 690 -7.741 -2.095 -7.063 1.00 63.24 H new ATOM 0 HD11 LEU A 690 -7.086 -4.002 -5.682 1.00 32.22 H new ATOM 0 HD12 LEU A 690 -5.697 -3.184 -6.435 1.00 32.22 H new ATOM 0 HD13 LEU A 690 -6.052 -2.928 -4.711 1.00 32.22 H new ATOM 0 HD21 LEU A 690 -9.069 -2.787 -5.089 1.00 43.11 H new ATOM 0 HD22 LEU A 690 -8.187 -1.595 -4.104 1.00 43.11 H new ATOM 0 HD23 LEU A 690 -9.229 -1.050 -5.440 1.00 43.11 H new ATOM 1618 N ILE A 691 -4.612 -1.356 -3.308 1.00 42.01 N ATOM 1619 CA ILE A 691 -3.476 -2.135 -2.910 1.00 73.11 C ATOM 1620 C ILE A 691 -3.865 -3.594 -2.955 1.00 30.42 C ATOM 1621 O ILE A 691 -4.821 -3.998 -2.306 1.00 51.14 O ATOM 1622 CB ILE A 691 -3.008 -1.765 -1.482 1.00 52.50 C ATOM 1623 CG1 ILE A 691 -2.735 -0.257 -1.391 1.00 31.32 C ATOM 1624 CG2 ILE A 691 -1.741 -2.548 -1.127 1.00 34.11 C ATOM 1625 CD1 ILE A 691 -2.377 0.230 0.003 1.00 61.21 C ATOM 0 H ILE A 691 -5.339 -1.265 -2.598 1.00 42.01 H new ATOM 0 HA ILE A 691 -2.649 -1.932 -3.591 1.00 73.11 H new ATOM 0 HB ILE A 691 -3.795 -2.025 -0.774 1.00 52.50 H new ATOM 0 HG12 ILE A 691 -1.922 -0.005 -2.071 1.00 31.32 H new ATOM 0 HG13 ILE A 691 -3.618 0.282 -1.736 1.00 31.32 H new ATOM 0 HG21 ILE A 691 -1.419 -2.281 -0.120 1.00 34.11 H new ATOM 0 HG22 ILE A 691 -1.950 -3.617 -1.170 1.00 34.11 H new ATOM 0 HG23 ILE A 691 -0.951 -2.304 -1.837 1.00 34.11 H new ATOM 0 HD11 ILE A 691 -2.200 1.305 -0.022 1.00 61.21 H new ATOM 0 HD12 ILE A 691 -3.198 0.013 0.686 1.00 61.21 H new ATOM 0 HD13 ILE A 691 -1.476 -0.278 0.346 1.00 61.21 H new ATOM 1632 N THR A 692 -3.162 -4.356 -3.729 1.00 22.02 N ATOM 1633 CA THR A 692 -3.427 -5.756 -3.873 1.00 51.44 C ATOM 1634 C THR A 692 -2.415 -6.525 -3.033 1.00 72.12 C ATOM 1635 O THR A 692 -1.213 -6.392 -3.235 1.00 70.33 O ATOM 1636 CB THR A 692 -3.264 -6.168 -5.350 1.00 40.13 C ATOM 1637 OG1 THR A 692 -4.050 -5.296 -6.200 1.00 34.54 O ATOM 1638 CG2 THR A 692 -3.714 -7.606 -5.570 1.00 74.11 C ATOM 0 H THR A 692 -2.377 -4.022 -4.288 1.00 22.02 H new ATOM 0 HA THR A 692 -4.444 -5.975 -3.547 1.00 51.44 H new ATOM 0 HB THR A 692 -2.207 -6.083 -5.604 1.00 40.13 H new ATOM 0 HG1 THR A 692 -3.939 -5.564 -7.136 1.00 34.54 H new ATOM 0 HG21 THR A 692 -3.588 -7.870 -6.620 1.00 74.11 H new ATOM 0 HG22 THR A 692 -3.113 -8.274 -4.953 1.00 74.11 H new ATOM 0 HG23 THR A 692 -4.764 -7.705 -5.294 1.00 74.11 H new ATOM 1644 N PHE A 693 -2.893 -7.290 -2.097 1.00 14.32 N ATOM 1645 CA PHE A 693 -2.042 -8.039 -1.206 1.00 55.34 C ATOM 1646 C PHE A 693 -1.887 -9.451 -1.704 1.00 54.51 C ATOM 1647 O PHE A 693 -2.863 -10.161 -1.880 1.00 53.24 O ATOM 1648 CB PHE A 693 -2.626 -8.050 0.213 1.00 74.23 C ATOM 1649 CG PHE A 693 -2.738 -6.686 0.857 1.00 3.01 C ATOM 1650 CD1 PHE A 693 -3.640 -5.752 0.386 1.00 33.23 C ATOM 1651 CD2 PHE A 693 -1.956 -6.352 1.947 1.00 11.23 C ATOM 1652 CE1 PHE A 693 -3.756 -4.528 0.976 1.00 43.15 C ATOM 1653 CE2 PHE A 693 -2.068 -5.120 2.543 1.00 14.25 C ATOM 1654 CZ PHE A 693 -2.972 -4.209 2.054 1.00 12.12 C ATOM 0 H PHE A 693 -3.890 -7.416 -1.925 1.00 14.32 H new ATOM 0 HA PHE A 693 -1.064 -7.559 -1.179 1.00 55.34 H new ATOM 0 HB2 PHE A 693 -3.616 -8.505 0.181 1.00 74.23 H new ATOM 0 HB3 PHE A 693 -2.004 -8.685 0.843 1.00 74.23 H new ATOM 0 HD1 PHE A 693 -4.263 -5.995 -0.462 1.00 33.23 H new ATOM 0 HD2 PHE A 693 -1.248 -7.069 2.335 1.00 11.23 H new ATOM 0 HE1 PHE A 693 -4.466 -3.810 0.594 1.00 43.15 H new ATOM 0 HE2 PHE A 693 -1.449 -4.869 3.391 1.00 14.25 H new ATOM 0 HZ PHE A 693 -3.065 -3.239 2.520 1.00 12.12 H new ATOM 1664 N LEU A 694 -0.673 -9.843 -1.926 1.00 33.33 N ATOM 1665 CA LEU A 694 -0.362 -11.169 -2.386 1.00 62.42 C ATOM 1666 C LEU A 694 0.393 -11.859 -1.315 1.00 11.44 C ATOM 1667 O LEU A 694 1.140 -11.213 -0.566 1.00 11.05 O ATOM 1668 CB LEU A 694 0.528 -11.157 -3.641 1.00 43.23 C ATOM 1669 CG LEU A 694 -0.006 -10.499 -4.910 1.00 5.30 C ATOM 1670 CD1 LEU A 694 -1.372 -11.041 -5.298 1.00 33.32 C ATOM 1671 CD2 LEU A 694 0.014 -8.980 -4.846 1.00 14.52 C ATOM 0 H LEU A 694 0.144 -9.248 -1.793 1.00 33.33 H new ATOM 0 HA LEU A 694 -1.300 -11.668 -2.631 1.00 62.42 H new ATOM 0 HB2 LEU A 694 1.462 -10.661 -3.379 1.00 43.23 H new ATOM 0 HB3 LEU A 694 0.773 -12.191 -3.883 1.00 43.23 H new ATOM 0 HG LEU A 694 0.685 -10.771 -5.708 1.00 5.30 H new ATOM 0 HD11 LEU A 694 -1.715 -10.546 -6.206 1.00 33.32 H new ATOM 0 HD12 LEU A 694 -1.301 -12.114 -5.474 1.00 33.32 H new ATOM 0 HD13 LEU A 694 -2.081 -10.852 -4.492 1.00 33.32 H new ATOM 0 HD21 LEU A 694 -0.378 -8.571 -5.778 1.00 14.52 H new ATOM 0 HD22 LEU A 694 -0.604 -8.643 -4.014 1.00 14.52 H new ATOM 0 HD23 LEU A 694 1.038 -8.635 -4.701 1.00 14.52 H new ATOM 1679 N CYS A 695 0.233 -13.133 -1.219 1.00 51.24 N ATOM 1680 CA CYS A 695 0.936 -13.854 -0.233 1.00 2.11 C ATOM 1681 C CYS A 695 2.253 -14.299 -0.774 1.00 11.11 C ATOM 1682 O CYS A 695 2.314 -15.082 -1.742 1.00 13.24 O ATOM 1683 CB CYS A 695 0.187 -15.060 0.251 1.00 62.51 C ATOM 1684 SG CYS A 695 1.064 -15.845 1.635 1.00 22.33 S ATOM 0 H CYS A 695 -0.380 -13.691 -1.814 1.00 51.24 H new ATOM 0 HA CYS A 695 1.068 -13.179 0.612 1.00 2.11 H new ATOM 0 HB2 CYS A 695 -0.815 -14.770 0.566 1.00 62.51 H new ATOM 0 HB3 CYS A 695 0.071 -15.774 -0.564 1.00 62.51 H new ATOM 1745 N GLY A 700 7.711 -10.865 5.344 1.00 73.30 N ATOM 1746 CA GLY A 700 7.256 -10.526 6.647 1.00 44.42 C ATOM 1747 C GLY A 700 6.003 -9.703 6.577 1.00 72.45 C ATOM 1748 O GLY A 700 4.945 -10.201 6.161 1.00 20.32 O ATOM 0 HA2 GLY A 700 7.068 -11.435 7.219 1.00 44.42 H new ATOM 0 HA3 GLY A 700 8.032 -9.971 7.175 1.00 44.42 H new ATOM 1752 N VAL A 701 6.124 -8.446 6.942 1.00 34.30 N ATOM 1753 CA VAL A 701 5.002 -7.524 6.954 1.00 32.12 C ATOM 1754 C VAL A 701 4.540 -7.223 5.526 1.00 41.22 C ATOM 1755 O VAL A 701 3.336 -7.109 5.246 1.00 13.22 O ATOM 1756 CB VAL A 701 5.362 -6.215 7.712 1.00 65.35 C ATOM 1757 CG1 VAL A 701 6.463 -5.401 7.024 1.00 23.44 C ATOM 1758 CG2 VAL A 701 4.134 -5.379 8.010 1.00 21.55 C ATOM 0 H VAL A 701 7.006 -8.029 7.241 1.00 34.30 H new ATOM 0 HA VAL A 701 4.177 -7.998 7.487 1.00 32.12 H new ATOM 0 HB VAL A 701 5.780 -6.527 8.669 1.00 65.35 H new ATOM 0 HG11 VAL A 701 6.666 -4.501 7.604 1.00 23.44 H new ATOM 0 HG12 VAL A 701 7.370 -6.001 6.956 1.00 23.44 H new ATOM 0 HG13 VAL A 701 6.137 -5.121 6.022 1.00 23.44 H new ATOM 0 HG21 VAL A 701 4.430 -4.474 8.540 1.00 21.55 H new ATOM 0 HG22 VAL A 701 3.643 -5.108 7.075 1.00 21.55 H new ATOM 0 HG23 VAL A 701 3.445 -5.953 8.629 1.00 21.55 H new ATOM 1764 N GLY A 702 5.484 -7.133 4.638 1.00 44.12 N ATOM 1765 CA GLY A 702 5.182 -6.904 3.270 1.00 51.05 C ATOM 1766 C GLY A 702 5.555 -5.523 2.806 1.00 43.31 C ATOM 1767 O GLY A 702 5.333 -4.544 3.505 1.00 73.15 O ATOM 0 H GLY A 702 6.479 -7.217 4.847 1.00 44.12 H new ATOM 0 HA2 GLY A 702 5.707 -7.640 2.660 1.00 51.05 H new ATOM 0 HA3 GLY A 702 4.115 -7.059 3.109 1.00 51.05 H new ATOM 1771 N PHE A 703 6.147 -5.455 1.654 1.00 52.41 N ATOM 1772 CA PHE A 703 6.467 -4.202 1.024 1.00 33.35 C ATOM 1773 C PHE A 703 5.616 -4.044 -0.236 1.00 4.20 C ATOM 1774 O PHE A 703 5.479 -4.996 -1.020 1.00 52.12 O ATOM 1775 CB PHE A 703 7.957 -4.124 0.659 1.00 42.23 C ATOM 1776 CG PHE A 703 8.887 -4.282 1.830 1.00 62.14 C ATOM 1777 CD1 PHE A 703 9.026 -3.269 2.765 1.00 30.44 C ATOM 1778 CD2 PHE A 703 9.614 -5.447 1.998 1.00 25.13 C ATOM 1779 CE1 PHE A 703 9.876 -3.416 3.846 1.00 23.22 C ATOM 1780 CE2 PHE A 703 10.464 -5.601 3.073 1.00 72.02 C ATOM 1781 CZ PHE A 703 10.595 -4.585 4.000 1.00 61.22 C ATOM 0 H PHE A 703 6.427 -6.274 1.115 1.00 52.41 H new ATOM 0 HA PHE A 703 6.252 -3.396 1.726 1.00 33.35 H new ATOM 0 HB2 PHE A 703 8.181 -4.898 -0.075 1.00 42.23 H new ATOM 0 HB3 PHE A 703 8.153 -3.164 0.181 1.00 42.23 H new ATOM 0 HD1 PHE A 703 8.464 -2.354 2.648 1.00 30.44 H new ATOM 0 HD2 PHE A 703 9.515 -6.246 1.278 1.00 25.13 H new ATOM 0 HE1 PHE A 703 9.977 -2.619 4.568 1.00 23.22 H new ATOM 0 HE2 PHE A 703 11.027 -6.515 3.190 1.00 72.02 H new ATOM 0 HZ PHE A 703 11.259 -4.705 4.844 1.00 61.22 H new ATOM 1791 N PRO A 704 4.988 -2.878 -0.417 1.00 33.41 N ATOM 1792 CA PRO A 704 4.195 -2.584 -1.611 1.00 22.25 C ATOM 1793 C PRO A 704 5.051 -2.128 -2.799 1.00 64.33 C ATOM 1794 O PRO A 704 6.115 -1.514 -2.623 1.00 52.52 O ATOM 1795 CB PRO A 704 3.309 -1.435 -1.153 1.00 62.24 C ATOM 1796 CG PRO A 704 4.136 -0.712 -0.143 1.00 50.22 C ATOM 1797 CD PRO A 704 4.960 -1.765 0.552 1.00 42.10 C ATOM 0 HA PRO A 704 3.659 -3.465 -1.965 1.00 22.25 H new ATOM 0 HB2 PRO A 704 3.039 -0.785 -1.985 1.00 62.24 H new ATOM 0 HB3 PRO A 704 2.378 -1.799 -0.718 1.00 62.24 H new ATOM 0 HG2 PRO A 704 4.775 0.030 -0.621 1.00 50.22 H new ATOM 0 HG3 PRO A 704 3.505 -0.179 0.568 1.00 50.22 H new ATOM 0 HD2 PRO A 704 5.964 -1.405 0.778 1.00 42.10 H new ATOM 0 HD3 PRO A 704 4.510 -2.067 1.497 1.00 42.10 H new ATOM 1805 N GLU A 705 4.599 -2.434 -3.995 1.00 53.10 N ATOM 1806 CA GLU A 705 5.268 -1.994 -5.185 1.00 34.32 C ATOM 1807 C GLU A 705 4.276 -1.256 -6.052 1.00 2.42 C ATOM 1808 O GLU A 705 3.168 -1.748 -6.269 1.00 54.24 O ATOM 1809 CB GLU A 705 5.801 -3.185 -5.971 1.00 4.31 C ATOM 1810 CG GLU A 705 6.677 -2.778 -7.146 1.00 65.02 C ATOM 1811 CD GLU A 705 7.909 -2.014 -6.711 1.00 43.30 C ATOM 1812 OE1 GLU A 705 7.822 -0.787 -6.485 1.00 30.40 O ATOM 1813 OE2 GLU A 705 8.981 -2.625 -6.604 1.00 61.15 O ATOM 0 H GLU A 705 3.762 -2.992 -4.163 1.00 53.10 H new ATOM 0 HA GLU A 705 6.100 -1.348 -4.905 1.00 34.32 H new ATOM 0 HB2 GLU A 705 6.375 -3.827 -5.303 1.00 4.31 H new ATOM 0 HB3 GLU A 705 4.962 -3.776 -6.338 1.00 4.31 H new ATOM 0 HG2 GLU A 705 6.981 -3.669 -7.695 1.00 65.02 H new ATOM 0 HG3 GLU A 705 6.096 -2.163 -7.833 1.00 65.02 H new ATOM 1820 N TYR A 706 4.646 -0.100 -6.543 1.00 0.52 N ATOM 1821 CA TYR A 706 3.775 0.622 -7.435 1.00 43.11 C ATOM 1822 C TYR A 706 3.878 0.036 -8.803 1.00 44.22 C ATOM 1823 O TYR A 706 4.970 -0.076 -9.362 1.00 53.43 O ATOM 1824 CB TYR A 706 4.067 2.129 -7.476 1.00 64.31 C ATOM 1825 CG TYR A 706 3.222 2.866 -8.512 1.00 51.31 C ATOM 1826 CD1 TYR A 706 1.839 2.951 -8.383 1.00 23.41 C ATOM 1827 CD2 TYR A 706 3.808 3.465 -9.618 1.00 42.14 C ATOM 1828 CE1 TYR A 706 1.075 3.605 -9.315 1.00 1.45 C ATOM 1829 CE2 TYR A 706 3.049 4.126 -10.558 1.00 24.20 C ATOM 1830 CZ TYR A 706 1.685 4.197 -10.405 1.00 4.54 C ATOM 1831 OH TYR A 706 0.927 4.855 -11.344 1.00 23.44 O ATOM 0 H TYR A 706 5.535 0.358 -6.343 1.00 0.52 H new ATOM 0 HA TYR A 706 2.759 0.519 -7.053 1.00 43.11 H new ATOM 0 HB2 TYR A 706 3.882 2.558 -6.491 1.00 64.31 H new ATOM 0 HB3 TYR A 706 5.123 2.284 -7.698 1.00 64.31 H new ATOM 0 HD1 TYR A 706 1.358 2.493 -7.532 1.00 23.41 H new ATOM 0 HD2 TYR A 706 4.879 3.412 -9.744 1.00 42.14 H new ATOM 0 HE1 TYR A 706 0.003 3.657 -9.198 1.00 1.45 H new ATOM 0 HE2 TYR A 706 3.524 4.587 -11.412 1.00 24.20 H new ATOM 0 HH TYR A 706 1.512 5.214 -12.044 1.00 23.44 H new ATOM 1841 N GLN A 707 2.774 -0.362 -9.330 1.00 32.54 N ATOM 1842 CA GLN A 707 2.760 -0.928 -10.629 1.00 20.12 C ATOM 1843 C GLN A 707 2.323 0.106 -11.627 1.00 71.12 C ATOM 1844 O GLN A 707 3.166 0.726 -12.282 1.00 42.31 O ATOM 1845 CB GLN A 707 1.897 -2.171 -10.655 1.00 51.12 C ATOM 1846 CG GLN A 707 2.249 -3.256 -9.608 1.00 3.33 C ATOM 1847 CD GLN A 707 3.682 -3.864 -9.654 1.00 34.44 C ATOM 1848 OE1 GLN A 707 3.850 -5.024 -9.342 1.00 64.44 O ATOM 1849 NE2 GLN A 707 4.706 -3.089 -9.922 1.00 4.15 N ATOM 0 H GLN A 707 1.863 -0.305 -8.876 1.00 32.54 H new ATOM 0 HA GLN A 707 3.766 -1.243 -10.907 1.00 20.12 H new ATOM 0 HB2 GLN A 707 0.859 -1.873 -10.507 1.00 51.12 H new ATOM 0 HB3 GLN A 707 1.963 -2.616 -11.648 1.00 51.12 H new ATOM 0 HG2 GLN A 707 2.097 -2.828 -8.617 1.00 3.33 H new ATOM 0 HG3 GLN A 707 1.534 -4.072 -9.716 1.00 3.33 H new ATOM 0 HE21 GLN A 707 4.554 -2.115 -10.183 1.00 4.15 H new ATOM 0 HE22 GLN A 707 5.654 -3.461 -9.869 1.00 4.15 H new ATOM 1857 N GLU A 708 1.037 0.337 -11.725 1.00 14.51 N ATOM 1858 CA GLU A 708 0.549 1.345 -12.610 1.00 25.22 C ATOM 1859 C GLU A 708 -0.829 1.819 -12.215 1.00 73.51 C ATOM 1860 O GLU A 708 -1.667 1.041 -11.729 1.00 10.32 O ATOM 1861 CB GLU A 708 0.520 0.870 -14.091 1.00 12.41 C ATOM 1862 CG GLU A 708 -0.475 -0.264 -14.434 1.00 70.50 C ATOM 1863 CD GLU A 708 -0.152 -1.604 -13.800 1.00 33.33 C ATOM 1864 OE1 GLU A 708 0.623 -2.382 -14.404 1.00 53.23 O ATOM 1865 OE2 GLU A 708 -0.687 -1.908 -12.707 1.00 44.24 O ATOM 0 H GLU A 708 0.318 -0.162 -11.201 1.00 14.51 H new ATOM 0 HA GLU A 708 1.250 2.175 -12.526 1.00 25.22 H new ATOM 0 HB2 GLU A 708 0.288 1.729 -14.720 1.00 12.41 H new ATOM 0 HB3 GLU A 708 1.522 0.538 -14.362 1.00 12.41 H new ATOM 0 HG2 GLU A 708 -1.474 0.040 -14.120 1.00 70.50 H new ATOM 0 HG3 GLU A 708 -0.505 -0.387 -15.517 1.00 70.50 H new ATOM 1872 N GLU A 709 -1.029 3.095 -12.335 1.00 40.43 N ATOM 1873 CA GLU A 709 -2.345 3.648 -12.277 1.00 55.32 C ATOM 1874 C GLU A 709 -2.894 3.523 -13.677 1.00 0.54 C ATOM 1875 O GLU A 709 -2.253 3.948 -14.651 1.00 34.02 O ATOM 1876 CB GLU A 709 -2.303 5.116 -11.810 1.00 10.42 C ATOM 1877 CG GLU A 709 -3.666 5.812 -11.572 1.00 2.13 C ATOM 1878 CD GLU A 709 -4.499 6.020 -12.815 1.00 13.10 C ATOM 1879 OE1 GLU A 709 -4.169 6.930 -13.608 1.00 10.34 O ATOM 1880 OE2 GLU A 709 -5.485 5.282 -13.018 1.00 72.32 O ATOM 0 H GLU A 709 -0.287 3.780 -12.475 1.00 40.43 H new ATOM 0 HA GLU A 709 -2.977 3.126 -11.558 1.00 55.32 H new ATOM 0 HB2 GLU A 709 -1.732 5.161 -10.883 1.00 10.42 H new ATOM 0 HB3 GLU A 709 -1.752 5.693 -12.552 1.00 10.42 H new ATOM 0 HG2 GLU A 709 -4.241 5.219 -10.862 1.00 2.13 H new ATOM 0 HG3 GLU A 709 -3.486 6.781 -11.106 1.00 2.13 H new ATOM 1887 N ASP A 710 -4.038 2.950 -13.784 1.00 20.33 N ATOM 1888 CA ASP A 710 -4.644 2.701 -15.074 1.00 63.23 C ATOM 1889 C ASP A 710 -6.125 2.539 -14.907 1.00 42.21 C ATOM 1890 O ASP A 710 -6.918 3.059 -15.681 1.00 52.54 O ATOM 1891 CB ASP A 710 -4.064 1.419 -15.687 1.00 53.32 C ATOM 1892 CG ASP A 710 -4.621 1.120 -17.058 1.00 70.52 C ATOM 1893 OD1 ASP A 710 -5.674 0.453 -17.165 1.00 74.32 O ATOM 1894 OD2 ASP A 710 -4.011 1.545 -18.056 1.00 62.40 O ATOM 0 H ASP A 710 -4.594 2.634 -12.989 1.00 20.33 H new ATOM 0 HA ASP A 710 -4.435 3.543 -15.733 1.00 63.23 H new ATOM 0 HB2 ASP A 710 -2.980 1.512 -15.753 1.00 53.32 H new ATOM 0 HB3 ASP A 710 -4.272 0.579 -15.024 1.00 53.32 H new ATOM 1899 N ASN A 711 -6.480 1.858 -13.852 1.00 24.23 N ATOM 1900 CA ASN A 711 -7.856 1.467 -13.564 1.00 2.43 C ATOM 1901 C ASN A 711 -8.597 2.577 -12.819 1.00 31.01 C ATOM 1902 O ASN A 711 -9.527 2.287 -12.084 1.00 44.24 O ATOM 1903 CB ASN A 711 -7.839 0.220 -12.651 1.00 24.50 C ATOM 1904 CG ASN A 711 -6.959 -0.900 -13.163 1.00 44.22 C ATOM 1905 OD1 ASN A 711 -7.393 -1.723 -13.963 1.00 31.02 O ATOM 1906 ND2 ASN A 711 -5.730 -0.973 -12.661 1.00 44.11 N ATOM 0 H ASN A 711 -5.814 1.546 -13.145 1.00 24.23 H new ATOM 0 HA ASN A 711 -8.360 1.266 -14.509 1.00 2.43 H new ATOM 0 HB2 ASN A 711 -7.498 0.513 -11.658 1.00 24.50 H new ATOM 0 HB3 ASN A 711 -8.858 -0.152 -12.541 1.00 24.50 H new ATOM 0 HD21 ASN A 711 -5.110 -1.734 -12.939 1.00 44.11 H new ATOM 0 HD22 ASN A 711 -5.407 -0.268 -11.998 1.00 44.11 H new ATOM 1912 N SER A 712 -8.175 3.846 -13.028 1.00 40.41 N ATOM 1913 CA SER A 712 -8.668 5.056 -12.316 1.00 41.11 C ATOM 1914 C SER A 712 -8.166 5.068 -10.873 1.00 72.33 C ATOM 1915 O SER A 712 -8.393 6.000 -10.103 1.00 32.14 O ATOM 1916 CB SER A 712 -10.219 5.339 -12.449 1.00 4.40 C ATOM 1917 OG SER A 712 -11.049 4.304 -11.915 1.00 73.32 O ATOM 0 H SER A 712 -7.458 4.067 -13.719 1.00 40.41 H new ATOM 0 HA SER A 712 -8.232 5.909 -12.836 1.00 41.11 H new ATOM 0 HB2 SER A 712 -10.452 6.275 -11.941 1.00 4.40 H new ATOM 0 HB3 SER A 712 -10.463 5.479 -13.502 1.00 4.40 H new ATOM 0 HG SER A 712 -10.487 3.578 -11.572 1.00 73.32 H new ATOM 1923 N THR A 713 -7.428 4.047 -10.561 1.00 21.15 N ATOM 1924 CA THR A 713 -6.893 3.826 -9.286 1.00 20.35 C ATOM 1925 C THR A 713 -5.458 3.305 -9.452 1.00 42.21 C ATOM 1926 O THR A 713 -5.123 2.661 -10.482 1.00 75.12 O ATOM 1927 CB THR A 713 -7.790 2.817 -8.487 1.00 1.01 C ATOM 1928 OG1 THR A 713 -7.294 2.599 -7.179 1.00 53.11 O ATOM 1929 CG2 THR A 713 -7.914 1.488 -9.194 1.00 13.22 C ATOM 0 H THR A 713 -7.181 3.320 -11.233 1.00 21.15 H new ATOM 0 HA THR A 713 -6.871 4.753 -8.713 1.00 20.35 H new ATOM 0 HB THR A 713 -8.777 3.276 -8.424 1.00 1.01 H new ATOM 0 HG1 THR A 713 -8.010 2.243 -6.613 1.00 53.11 H new ATOM 0 HG21 THR A 713 -8.543 0.820 -8.606 1.00 13.22 H new ATOM 0 HG22 THR A 713 -8.363 1.639 -10.176 1.00 13.22 H new ATOM 0 HG23 THR A 713 -6.925 1.045 -9.311 1.00 13.22 H new ATOM 1935 N TYR A 714 -4.628 3.616 -8.494 1.00 31.31 N ATOM 1936 CA TYR A 714 -3.237 3.224 -8.499 1.00 53.43 C ATOM 1937 C TYR A 714 -3.117 1.861 -7.874 1.00 72.53 C ATOM 1938 O TYR A 714 -3.553 1.665 -6.753 1.00 54.13 O ATOM 1939 CB TYR A 714 -2.392 4.221 -7.665 1.00 12.04 C ATOM 1940 CG TYR A 714 -2.396 5.663 -8.151 1.00 42.21 C ATOM 1941 CD1 TYR A 714 -3.525 6.441 -8.033 1.00 43.12 C ATOM 1942 CD2 TYR A 714 -1.266 6.242 -8.720 1.00 21.04 C ATOM 1943 CE1 TYR A 714 -3.553 7.734 -8.457 1.00 13.21 C ATOM 1944 CE2 TYR A 714 -1.283 7.560 -9.147 1.00 64.21 C ATOM 1945 CZ TYR A 714 -2.438 8.296 -9.012 1.00 12.54 C ATOM 1946 OH TYR A 714 -2.478 9.616 -9.400 1.00 0.44 O ATOM 0 H TYR A 714 -4.899 4.157 -7.673 1.00 31.31 H new ATOM 0 HA TYR A 714 -2.874 3.215 -9.527 1.00 53.43 H new ATOM 0 HB2 TYR A 714 -2.754 4.203 -6.637 1.00 12.04 H new ATOM 0 HB3 TYR A 714 -1.361 3.867 -7.646 1.00 12.04 H new ATOM 0 HD1 TYR A 714 -4.413 6.014 -7.592 1.00 43.12 H new ATOM 0 HD2 TYR A 714 -0.365 5.657 -8.830 1.00 21.04 H new ATOM 0 HE1 TYR A 714 -4.457 8.316 -8.355 1.00 13.21 H new ATOM 0 HE2 TYR A 714 -0.400 8.005 -9.581 1.00 64.21 H new ATOM 0 HH TYR A 714 -1.782 9.781 -10.070 1.00 0.44 H new ATOM 1956 N ASN A 715 -2.528 0.928 -8.572 1.00 22.31 N ATOM 1957 CA ASN A 715 -2.337 -0.397 -8.006 1.00 53.23 C ATOM 1958 C ASN A 715 -0.956 -0.603 -7.483 1.00 64.00 C ATOM 1959 O ASN A 715 0.058 -0.376 -8.176 1.00 64.33 O ATOM 1960 CB ASN A 715 -2.663 -1.507 -8.994 1.00 33.22 C ATOM 1961 CG ASN A 715 -4.145 -1.840 -9.103 1.00 62.10 C ATOM 1962 OD1 ASN A 715 -4.863 -1.258 -9.923 1.00 14.44 O ATOM 1963 ND2 ASN A 715 -4.623 -2.795 -8.293 1.00 1.50 N ATOM 0 H ASN A 715 -2.174 1.049 -9.521 1.00 22.31 H new ATOM 0 HA ASN A 715 -3.039 -0.450 -7.174 1.00 53.23 H new ATOM 0 HB2 ASN A 715 -2.295 -1.219 -9.979 1.00 33.22 H new ATOM 0 HB3 ASN A 715 -2.122 -2.407 -8.702 1.00 33.22 H new ATOM 0 HD21 ASN A 715 -5.607 -3.061 -8.343 1.00 1.50 H new ATOM 0 HD22 ASN A 715 -4.003 -3.256 -7.627 1.00 1.50 H new ATOM 1969 N PHE A 716 -0.924 -1.015 -6.252 1.00 62.22 N ATOM 1970 CA PHE A 716 0.275 -1.362 -5.558 1.00 42.41 C ATOM 1971 C PHE A 716 0.187 -2.815 -5.187 1.00 43.13 C ATOM 1972 O PHE A 716 -0.881 -3.285 -4.802 1.00 74.43 O ATOM 1973 CB PHE A 716 0.433 -0.531 -4.275 1.00 71.40 C ATOM 1974 CG PHE A 716 0.620 0.944 -4.488 1.00 25.24 C ATOM 1975 CD1 PHE A 716 -0.459 1.773 -4.738 1.00 53.14 C ATOM 1976 CD2 PHE A 716 1.882 1.501 -4.421 1.00 55.35 C ATOM 1977 CE1 PHE A 716 -0.280 3.128 -4.917 1.00 22.53 C ATOM 1978 CE2 PHE A 716 2.065 2.853 -4.601 1.00 23.54 C ATOM 1979 CZ PHE A 716 0.981 3.667 -4.850 1.00 62.13 C ATOM 0 H PHE A 716 -1.764 -1.122 -5.684 1.00 62.22 H new ATOM 0 HA PHE A 716 1.133 -1.164 -6.201 1.00 42.41 H new ATOM 0 HB2 PHE A 716 -0.448 -0.683 -3.652 1.00 71.40 H new ATOM 0 HB3 PHE A 716 1.288 -0.913 -3.717 1.00 71.40 H new ATOM 0 HD1 PHE A 716 -1.453 1.354 -4.794 1.00 53.14 H new ATOM 0 HD2 PHE A 716 2.735 0.868 -4.225 1.00 55.35 H new ATOM 0 HE1 PHE A 716 -1.131 3.765 -5.110 1.00 22.53 H new ATOM 0 HE2 PHE A 716 3.057 3.276 -4.547 1.00 23.54 H new ATOM 0 HZ PHE A 716 1.123 4.728 -4.992 1.00 62.13 H new ATOM 1989 N ARG A 717 1.267 -3.529 -5.310 1.00 61.05 N ATOM 1990 CA ARG A 717 1.260 -4.914 -4.912 1.00 73.44 C ATOM 1991 C ARG A 717 1.956 -5.060 -3.641 1.00 74.13 C ATOM 1992 O ARG A 717 3.119 -4.718 -3.525 1.00 21.22 O ATOM 1993 CB ARG A 717 1.898 -5.827 -5.926 1.00 50.24 C ATOM 1994 CG ARG A 717 1.280 -5.727 -7.253 1.00 75.33 C ATOM 1995 CD ARG A 717 1.690 -6.873 -8.163 1.00 72.20 C ATOM 1996 NE ARG A 717 1.063 -6.739 -9.469 1.00 22.04 N ATOM 1997 CZ ARG A 717 0.372 -7.702 -10.110 1.00 61.13 C ATOM 1998 NH1 ARG A 717 0.332 -8.941 -9.625 1.00 50.45 N ATOM 1999 NH2 ARG A 717 -0.255 -7.427 -11.253 1.00 71.15 N ATOM 0 H ARG A 717 2.155 -3.186 -5.677 1.00 61.05 H new ATOM 0 HA ARG A 717 0.214 -5.208 -4.823 1.00 73.44 H new ATOM 0 HB2 ARG A 717 2.959 -5.588 -6.006 1.00 50.24 H new ATOM 0 HB3 ARG A 717 1.828 -6.857 -5.575 1.00 50.24 H new ATOM 0 HG2 ARG A 717 0.195 -5.719 -7.147 1.00 75.33 H new ATOM 0 HG3 ARG A 717 1.562 -4.780 -7.713 1.00 75.33 H new ATOM 0 HD2 ARG A 717 2.774 -6.887 -8.274 1.00 72.20 H new ATOM 0 HD3 ARG A 717 1.404 -7.823 -7.712 1.00 72.20 H new ATOM 0 HE ARG A 717 1.154 -5.839 -9.940 1.00 22.04 H new ATOM 0 HH11 ARG A 717 0.827 -9.167 -8.762 1.00 50.45 H new ATOM 0 HH12 ARG A 717 -0.193 -9.664 -10.116 1.00 50.45 H new ATOM 0 HH21 ARG A 717 -0.212 -6.486 -11.644 1.00 71.15 H new ATOM 0 HH22 ARG A 717 -0.777 -8.157 -11.737 1.00 71.15 H new ATOM 2011 N TRP A 718 1.271 -5.548 -2.698 1.00 25.01 N ATOM 2012 CA TRP A 718 1.817 -5.737 -1.420 1.00 30.13 C ATOM 2013 C TRP A 718 2.103 -7.216 -1.273 1.00 43.32 C ATOM 2014 O TRP A 718 1.193 -8.028 -1.286 1.00 44.51 O ATOM 2015 CB TRP A 718 0.794 -5.289 -0.381 1.00 53.31 C ATOM 2016 CG TRP A 718 1.356 -5.096 0.975 1.00 23.24 C ATOM 2017 CD1 TRP A 718 1.845 -6.043 1.807 1.00 30.14 C ATOM 2018 CD2 TRP A 718 1.463 -3.860 1.664 1.00 13.43 C ATOM 2019 NE1 TRP A 718 2.275 -5.466 2.970 1.00 33.42 N ATOM 2020 CE2 TRP A 718 2.049 -4.125 2.903 1.00 65.15 C ATOM 2021 CE3 TRP A 718 1.123 -2.547 1.342 1.00 65.31 C ATOM 2022 CZ2 TRP A 718 2.309 -3.132 3.824 1.00 63.51 C ATOM 2023 CZ3 TRP A 718 1.378 -1.560 2.259 1.00 13.50 C ATOM 2024 CH2 TRP A 718 1.968 -1.858 3.484 1.00 2.43 C ATOM 0 H TRP A 718 0.296 -5.834 -2.789 1.00 25.01 H new ATOM 0 HA TRP A 718 2.732 -5.161 -1.280 1.00 30.13 H new ATOM 0 HB2 TRP A 718 0.341 -4.354 -0.712 1.00 53.31 H new ATOM 0 HB3 TRP A 718 -0.004 -6.029 -0.330 1.00 53.31 H new ATOM 0 HD1 TRP A 718 1.889 -7.099 1.586 1.00 30.14 H new ATOM 0 HE1 TRP A 718 2.696 -5.959 3.758 1.00 33.42 H new ATOM 0 HE3 TRP A 718 0.669 -2.312 0.391 1.00 65.31 H new ATOM 0 HZ2 TRP A 718 2.765 -3.356 4.777 1.00 63.51 H new ATOM 0 HZ3 TRP A 718 1.118 -0.538 2.028 1.00 13.50 H new ATOM 0 HH2 TRP A 718 2.160 -1.058 4.183 1.00 2.43 H new ATOM 2035 N TYR A 719 3.341 -7.565 -1.167 1.00 45.20 N ATOM 2036 CA TYR A 719 3.702 -8.953 -1.000 1.00 32.01 C ATOM 2037 C TYR A 719 3.935 -9.255 0.473 1.00 62.14 C ATOM 2038 O TYR A 719 5.008 -8.991 1.018 1.00 44.20 O ATOM 2039 CB TYR A 719 4.909 -9.330 -1.885 1.00 41.32 C ATOM 2040 CG TYR A 719 4.578 -9.399 -3.379 1.00 12.12 C ATOM 2041 CD1 TYR A 719 4.450 -8.248 -4.165 1.00 32.51 C ATOM 2042 CD2 TYR A 719 4.387 -10.631 -3.998 1.00 0.31 C ATOM 2043 CE1 TYR A 719 4.140 -8.339 -5.521 1.00 2.44 C ATOM 2044 CE2 TYR A 719 4.082 -10.721 -5.345 1.00 44.03 C ATOM 2045 CZ TYR A 719 3.960 -9.575 -6.097 1.00 35.34 C ATOM 2046 OH TYR A 719 3.655 -9.662 -7.438 1.00 0.44 O ATOM 0 H TYR A 719 4.128 -6.917 -1.192 1.00 45.20 H new ATOM 0 HA TYR A 719 2.875 -9.579 -1.337 1.00 32.01 H new ATOM 0 HB2 TYR A 719 5.704 -8.600 -1.731 1.00 41.32 H new ATOM 0 HB3 TYR A 719 5.297 -10.296 -1.563 1.00 41.32 H new ATOM 0 HD1 TYR A 719 4.593 -7.277 -3.715 1.00 32.51 H new ATOM 0 HD2 TYR A 719 4.479 -11.536 -3.415 1.00 0.31 H new ATOM 0 HE1 TYR A 719 4.042 -7.443 -6.116 1.00 2.44 H new ATOM 0 HE2 TYR A 719 3.940 -11.688 -5.805 1.00 44.03 H new ATOM 0 HH TYR A 719 3.561 -10.604 -7.692 1.00 0.44 H new ATOM 2056 N THR A 720 2.906 -9.780 1.112 1.00 62.43 N ATOM 2057 CA THR A 720 2.896 -10.015 2.539 1.00 21.32 C ATOM 2058 C THR A 720 2.662 -11.477 2.862 1.00 3.14 C ATOM 2059 O THR A 720 1.927 -12.175 2.159 1.00 60.13 O ATOM 2060 CB THR A 720 1.822 -9.153 3.284 1.00 10.51 C ATOM 2061 OG1 THR A 720 1.910 -9.380 4.695 1.00 24.52 O ATOM 2062 CG2 THR A 720 0.406 -9.487 2.820 1.00 33.23 C ATOM 0 H THR A 720 2.043 -10.058 0.645 1.00 62.43 H new ATOM 0 HA THR A 720 3.883 -9.717 2.892 1.00 21.32 H new ATOM 0 HB THR A 720 2.025 -8.107 3.052 1.00 10.51 H new ATOM 0 HG1 THR A 720 2.409 -8.648 5.114 1.00 24.52 H new ATOM 0 HG21 THR A 720 -0.310 -8.868 3.361 1.00 33.23 H new ATOM 0 HG22 THR A 720 0.318 -9.294 1.751 1.00 33.23 H new ATOM 0 HG23 THR A 720 0.197 -10.539 3.017 1.00 33.23 H new ATOM 2068 N SER A 721 3.317 -11.943 3.890 1.00 71.53 N ATOM 2069 CA SER A 721 3.120 -13.281 4.378 1.00 25.42 C ATOM 2070 C SER A 721 1.682 -13.412 4.969 1.00 72.33 C ATOM 2071 O SER A 721 1.090 -14.495 4.979 1.00 43.21 O ATOM 2072 CB SER A 721 4.195 -13.589 5.435 1.00 33.12 C ATOM 2073 OG SER A 721 4.070 -14.894 5.969 1.00 72.21 O ATOM 0 H SER A 721 4.005 -11.403 4.415 1.00 71.53 H new ATOM 0 HA SER A 721 3.216 -14.003 3.567 1.00 25.42 H new ATOM 0 HB2 SER A 721 5.183 -13.476 4.988 1.00 33.12 H new ATOM 0 HB3 SER A 721 4.125 -12.861 6.243 1.00 33.12 H new ATOM 0 HG SER A 721 4.774 -15.044 6.634 1.00 72.21 H new ATOM 2079 N TYR A 722 1.112 -12.270 5.405 1.00 72.32 N ATOM 2080 CA TYR A 722 -0.216 -12.227 6.015 1.00 63.43 C ATOM 2081 C TYR A 722 -1.344 -12.491 5.015 1.00 22.52 C ATOM 2082 O TYR A 722 -2.478 -12.720 5.408 1.00 43.13 O ATOM 2083 CB TYR A 722 -0.447 -10.879 6.716 1.00 42.11 C ATOM 2084 CG TYR A 722 0.445 -10.630 7.923 1.00 22.01 C ATOM 2085 CD1 TYR A 722 1.759 -10.191 7.776 1.00 10.44 C ATOM 2086 CD2 TYR A 722 -0.037 -10.825 9.211 1.00 42.34 C ATOM 2087 CE1 TYR A 722 2.562 -9.957 8.876 1.00 25.35 C ATOM 2088 CE2 TYR A 722 0.761 -10.595 10.314 1.00 24.10 C ATOM 2089 CZ TYR A 722 2.059 -10.161 10.142 1.00 20.52 C ATOM 2090 OH TYR A 722 2.853 -9.921 11.243 1.00 4.30 O ATOM 0 H TYR A 722 1.565 -11.358 5.341 1.00 72.32 H new ATOM 0 HA TYR A 722 -0.241 -13.033 6.748 1.00 63.43 H new ATOM 0 HB2 TYR A 722 -0.290 -10.078 5.994 1.00 42.11 H new ATOM 0 HB3 TYR A 722 -1.488 -10.823 7.033 1.00 42.11 H new ATOM 0 HD1 TYR A 722 2.157 -10.031 6.785 1.00 10.44 H new ATOM 0 HD2 TYR A 722 -1.053 -11.162 9.352 1.00 42.34 H new ATOM 0 HE1 TYR A 722 3.578 -9.616 8.744 1.00 25.35 H new ATOM 0 HE2 TYR A 722 0.370 -10.754 11.308 1.00 24.10 H new ATOM 0 HH TYR A 722 2.347 -10.113 12.060 1.00 4.30 H new ATOM 2100 N ALA A 723 -1.031 -12.489 3.729 1.00 73.14 N ATOM 2101 CA ALA A 723 -2.058 -12.677 2.705 1.00 40.41 C ATOM 2102 C ALA A 723 -2.321 -14.155 2.424 1.00 21.33 C ATOM 2103 O ALA A 723 -2.962 -14.509 1.435 1.00 75.21 O ATOM 2104 CB ALA A 723 -1.704 -11.937 1.437 1.00 21.14 C ATOM 0 H ALA A 723 -0.086 -12.361 3.367 1.00 73.14 H new ATOM 0 HA ALA A 723 -2.983 -12.254 3.096 1.00 40.41 H new ATOM 0 HB1 ALA A 723 -2.485 -12.095 0.693 1.00 21.14 H new ATOM 0 HB2 ALA A 723 -1.616 -10.872 1.650 1.00 21.14 H new ATOM 0 HB3 ALA A 723 -0.755 -12.310 1.051 1.00 21.14 H new ATOM 2110 N CYS A 724 -1.861 -15.000 3.307 1.00 23.31 N ATOM 2111 CA CYS A 724 -2.146 -16.419 3.188 1.00 5.11 C ATOM 2112 C CYS A 724 -3.182 -16.854 4.214 1.00 2.33 C ATOM 2113 O CYS A 724 -3.040 -16.567 5.413 1.00 51.10 O ATOM 2114 CB CYS A 724 -0.906 -17.324 3.358 1.00 2.30 C ATOM 2115 SG CYS A 724 0.113 -17.577 1.876 1.00 2.32 S ATOM 0 H CYS A 724 -1.291 -14.742 4.113 1.00 23.31 H new ATOM 0 HA CYS A 724 -2.519 -16.543 2.171 1.00 5.11 H new ATOM 0 HB2 CYS A 724 -0.275 -16.898 4.138 1.00 2.30 H new ATOM 0 HB3 CYS A 724 -1.240 -18.298 3.715 1.00 2.30 H new ATOM 2120 N PRO A 725 -4.263 -17.506 3.755 1.00 23.24 N ATOM 2121 CA PRO A 725 -5.269 -18.082 4.632 1.00 31.14 C ATOM 2122 C PRO A 725 -4.762 -19.359 5.290 1.00 0.45 C ATOM 2123 O PRO A 725 -4.349 -19.299 6.463 1.00 38.10 O ATOM 2124 CB PRO A 725 -6.458 -18.371 3.706 1.00 55.25 C ATOM 2125 CG PRO A 725 -5.875 -18.495 2.338 1.00 2.12 C ATOM 2126 CD PRO A 725 -4.598 -17.691 2.326 1.00 10.31 C ATOM 2127 OXT PRO A 725 -4.788 -20.428 4.652 1.00 38.10 O ATOM 0 HA PRO A 725 -5.534 -17.415 5.452 1.00 31.14 H new ATOM 0 HB2 PRO A 725 -6.970 -19.287 3.999 1.00 55.25 H new ATOM 0 HB3 PRO A 725 -7.193 -17.567 3.748 1.00 55.25 H new ATOM 0 HG2 PRO A 725 -5.675 -19.539 2.098 1.00 2.12 H new ATOM 0 HG3 PRO A 725 -6.572 -18.123 1.587 1.00 2.12 H new ATOM 0 HD2 PRO A 725 -3.803 -18.217 1.797 1.00 10.31 H new ATOM 0 HD3 PRO A 725 -4.736 -16.734 1.824 1.00 10.31 H new