USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 864 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 670 GLN : amide:sc= -6.07! C(o=-7.9!,f=-4.8!) USER MOD Set 1.2: A 692 THR OG1 : rot -172:sc= 0.851 USER MOD Set 1.3: A 707 GLN : amide:sc= -0.756 K(o=-7.9,f=-5.3) USER MOD Set 1.4: A 715 ASN : amide:sc= -1.9! K(o=-7.9!,f=-4.8) USER MOD Set 2.1: A 685 THR OG1 : rot 170:sc= 1.06 USER MOD Set 2.2: A 712 SER OG : rot -30:sc= 0.0913 USER MOD Set 3.1: A 644 GLN : amide:sc= 0.198 K(o=0.65,f=0.15) USER MOD Set 3.2: A 679 TYR OH : rot 130:sc= -0.0568 USER MOD Set 3.3: A 714 TYR OH : rot 178:sc= 0.509 USER MOD Set 4.1: A 620 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.0592) USER MOD Set 4.2: A 706 TYR OH : rot 20:sc= 1 USER MOD Single : A 587 THR OG1 : rot 155:sc= 1.18 USER MOD Single : A 591 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.037) USER MOD Single : A 593 THR OG1 : rot -11:sc= 1.06 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 598 GLN : amide:sc= -3.88! K(o=-3.9!,f=-0.21) USER MOD Single : A 602 SER OG : rot 37:sc= 0.233 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 609 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 610 LYS NZ :NH3+ -151:sc= -0.541 (180deg=-1.6!) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot -1:sc= 1.1 USER MOD Single : A 615 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.17) USER MOD Single : A 618 THR OG1 : rot -49:sc= 1.56 USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.19 K(o=1.2,f=-5!) USER MOD Single : A 626 ASN : amide:sc= -0.154! C(o=-0.15!,f=-9!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -56:sc= 0.424 USER MOD Single : A 646 SER OG : rot 120:sc= 0.527 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 178:sc= 1.23 USER MOD Single : A 654 ASN : amide:sc= -0.712 K(o=-0.71,f=-6!) USER MOD Single : A 658 SER OG : rot 86:sc= 0.0239 USER MOD Single : A 659 ASN : amide:sc= -0.29 K(o=-0.29,f=-9!) USER MOD Single : A 661 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.17) USER MOD Single : A 663 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 664 TYR OH : rot 150:sc= -1.11! USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -160:sc= -0.169 (180deg=-0.656) USER MOD Single : A 672 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 673 TYR OH : rot 156:sc= 1.14 USER MOD Single : A 677 THR OG1 : rot -160:sc= -0.496 USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 681 ASN : amide:sc= -1.13 K(o=-1.1,f=-9!) USER MOD Single : A 683 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 689 THR OG1 : rot 75:sc= -2.66! USER MOD Single : A 713 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 719 TYR OH : rot 180:sc= 0 USER MOD Single : A 720 THR OG1 : rot 110:sc= 0.723 USER MOD Single : A 721 SER OG : rot 121:sc= 1.22 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 9.977 -8.853 11.854 1.00 33.21 N ATOM 115 CA ARG A 586 9.754 -8.484 10.484 1.00 10.23 C ATOM 116 C ARG A 586 10.564 -9.349 9.515 1.00 75.24 C ATOM 117 O ARG A 586 11.805 -9.296 9.489 1.00 42.41 O ATOM 118 CB ARG A 586 10.095 -7.015 10.252 1.00 4.51 C ATOM 119 CG ARG A 586 9.726 -6.529 8.858 1.00 74.33 C ATOM 120 CD ARG A 586 10.282 -5.143 8.570 1.00 63.45 C ATOM 121 NE ARG A 586 9.887 -4.128 9.556 1.00 22.35 N ATOM 122 CZ ARG A 586 10.387 -2.880 9.581 1.00 34.44 C ATOM 123 NH1 ARG A 586 11.211 -2.471 8.618 1.00 64.32 N ATOM 124 NH2 ARG A 586 10.055 -2.040 10.552 1.00 54.13 N ATOM 0 HA ARG A 586 8.695 -8.648 10.287 1.00 10.23 H new ATOM 0 HB2 ARG A 586 9.575 -6.406 10.992 1.00 4.51 H new ATOM 0 HB3 ARG A 586 11.163 -6.867 10.411 1.00 4.51 H new ATOM 0 HG2 ARG A 586 10.105 -7.233 8.117 1.00 74.33 H new ATOM 0 HG3 ARG A 586 8.641 -6.512 8.756 1.00 74.33 H new ATOM 0 HD2 ARG A 586 11.370 -5.198 8.536 1.00 63.45 H new ATOM 0 HD3 ARG A 586 9.948 -4.826 7.582 1.00 63.45 H new ATOM 0 HE ARG A 586 9.195 -4.384 10.260 1.00 22.35 H new ATOM 0 HH11 ARG A 586 11.464 -3.105 7.860 1.00 64.32 H new ATOM 0 HH12 ARG A 586 11.589 -1.524 8.639 1.00 64.32 H new ATOM 0 HH21 ARG A 586 9.415 -2.339 11.288 1.00 54.13 H new ATOM 0 HH22 ARG A 586 10.439 -1.095 10.563 1.00 54.13 H new ATOM 136 N THR A 587 9.874 -10.136 8.754 1.00 1.32 N ATOM 137 CA THR A 587 10.462 -10.880 7.672 1.00 42.23 C ATOM 138 C THR A 587 10.222 -10.059 6.417 1.00 64.20 C ATOM 139 O THR A 587 9.095 -9.660 6.168 1.00 22.41 O ATOM 140 CB THR A 587 9.767 -12.245 7.520 1.00 53.03 C ATOM 141 OG1 THR A 587 9.812 -12.941 8.766 1.00 33.40 O ATOM 142 CG2 THR A 587 10.455 -13.087 6.460 1.00 44.22 C ATOM 0 H THR A 587 8.871 -10.287 8.863 1.00 1.32 H new ATOM 0 HA THR A 587 11.522 -11.058 7.852 1.00 42.23 H new ATOM 0 HB THR A 587 8.734 -12.074 7.218 1.00 53.03 H new ATOM 0 HG1 THR A 587 9.072 -13.582 8.809 1.00 33.40 H new ATOM 0 HG21 THR A 587 9.946 -14.047 6.371 1.00 44.22 H new ATOM 0 HG22 THR A 587 10.419 -12.567 5.503 1.00 44.22 H new ATOM 0 HG23 THR A 587 11.494 -13.252 6.745 1.00 44.22 H new ATOM 148 N GLU A 588 11.240 -9.772 5.648 1.00 31.35 N ATOM 149 CA GLU A 588 11.035 -8.928 4.499 1.00 34.43 C ATOM 150 C GLU A 588 11.218 -9.653 3.175 1.00 33.34 C ATOM 151 O GLU A 588 12.038 -10.576 3.044 1.00 23.11 O ATOM 152 CB GLU A 588 11.858 -7.629 4.579 1.00 14.03 C ATOM 153 CG GLU A 588 13.360 -7.812 4.684 1.00 74.33 C ATOM 154 CD GLU A 588 14.083 -6.493 4.820 1.00 54.30 C ATOM 155 OE1 GLU A 588 14.283 -6.032 5.969 1.00 53.33 O ATOM 156 OE2 GLU A 588 14.460 -5.891 3.789 1.00 33.14 O ATOM 0 H GLU A 588 12.195 -10.100 5.790 1.00 31.35 H new ATOM 0 HA GLU A 588 9.984 -8.639 4.527 1.00 34.43 H new ATOM 0 HB2 GLU A 588 11.644 -7.029 3.695 1.00 14.03 H new ATOM 0 HB3 GLU A 588 11.518 -7.057 5.442 1.00 14.03 H new ATOM 0 HG2 GLU A 588 13.589 -8.441 5.544 1.00 74.33 H new ATOM 0 HG3 GLU A 588 13.724 -8.335 3.800 1.00 74.33 H new ATOM 163 N GLY A 589 10.427 -9.251 2.227 1.00 3.24 N ATOM 164 CA GLY A 589 10.479 -9.760 0.906 1.00 63.23 C ATOM 165 C GLY A 589 10.324 -8.625 -0.053 1.00 44.25 C ATOM 166 O GLY A 589 10.249 -7.464 0.369 1.00 3.15 O ATOM 0 H GLY A 589 9.710 -8.539 2.364 1.00 3.24 H new ATOM 0 HA2 GLY A 589 11.426 -10.272 0.736 1.00 63.23 H new ATOM 0 HA3 GLY A 589 9.688 -10.494 0.753 1.00 63.23 H new ATOM 170 N ASP A 590 10.269 -8.911 -1.313 1.00 11.11 N ATOM 171 CA ASP A 590 10.138 -7.876 -2.308 1.00 20.31 C ATOM 172 C ASP A 590 9.635 -8.432 -3.612 1.00 60.30 C ATOM 173 O ASP A 590 9.266 -9.610 -3.690 1.00 72.34 O ATOM 174 CB ASP A 590 11.443 -7.064 -2.486 1.00 50.34 C ATOM 175 CG ASP A 590 12.639 -7.894 -2.865 1.00 22.32 C ATOM 176 OD1 ASP A 590 13.215 -8.559 -1.972 1.00 13.44 O ATOM 177 OD2 ASP A 590 13.054 -7.851 -4.034 1.00 0.13 O ATOM 0 H ASP A 590 10.313 -9.858 -1.688 1.00 11.11 H new ATOM 0 HA ASP A 590 9.389 -7.173 -1.944 1.00 20.31 H new ATOM 0 HB2 ASP A 590 11.284 -6.305 -3.252 1.00 50.34 H new ATOM 0 HB3 ASP A 590 11.660 -6.538 -1.556 1.00 50.34 H new ATOM 182 N ASN A 591 9.567 -7.562 -4.609 1.00 10.02 N ATOM 183 CA ASN A 591 9.053 -7.866 -5.953 1.00 3.34 C ATOM 184 C ASN A 591 7.560 -8.246 -5.845 1.00 31.21 C ATOM 185 O ASN A 591 7.052 -9.083 -6.579 1.00 61.40 O ATOM 186 CB ASN A 591 9.895 -8.971 -6.644 1.00 35.15 C ATOM 187 CG ASN A 591 9.660 -9.035 -8.161 1.00 40.43 C ATOM 188 OD1 ASN A 591 10.330 -8.340 -8.924 1.00 34.02 O ATOM 189 ND2 ASN A 591 8.749 -9.850 -8.604 1.00 21.42 N ATOM 0 H ASN A 591 9.875 -6.595 -4.511 1.00 10.02 H new ATOM 0 HA ASN A 591 9.141 -6.983 -6.586 1.00 3.34 H new ATOM 0 HB2 ASN A 591 10.952 -8.790 -6.452 1.00 35.15 H new ATOM 0 HB3 ASN A 591 9.652 -9.937 -6.202 1.00 35.15 H new ATOM 0 HD21 ASN A 591 8.575 -9.925 -9.606 1.00 21.42 H new ATOM 0 HD22 ASN A 591 8.208 -10.415 -7.949 1.00 21.42 H new ATOM 195 N CYS A 592 6.874 -7.577 -4.898 1.00 13.44 N ATOM 196 CA CYS A 592 5.423 -7.724 -4.657 1.00 62.04 C ATOM 197 C CYS A 592 5.088 -9.028 -3.957 1.00 51.31 C ATOM 198 O CYS A 592 3.915 -9.412 -3.845 1.00 13.31 O ATOM 199 CB CYS A 592 4.619 -7.581 -5.955 1.00 30.14 C ATOM 200 SG CYS A 592 4.905 -6.017 -6.833 1.00 20.13 S ATOM 0 H CYS A 592 7.318 -6.909 -4.269 1.00 13.44 H new ATOM 0 HA CYS A 592 5.135 -6.912 -3.989 1.00 62.04 H new ATOM 0 HB2 CYS A 592 4.869 -8.409 -6.618 1.00 30.14 H new ATOM 0 HB3 CYS A 592 3.557 -7.667 -5.724 1.00 30.14 H new ATOM 205 N THR A 593 6.100 -9.677 -3.428 1.00 75.52 N ATOM 206 CA THR A 593 5.912 -10.945 -2.787 1.00 13.42 C ATOM 207 C THR A 593 6.547 -10.967 -1.414 1.00 1.41 C ATOM 208 O THR A 593 7.545 -10.288 -1.167 1.00 12.22 O ATOM 209 CB THR A 593 6.457 -12.121 -3.648 1.00 40.04 C ATOM 210 OG1 THR A 593 7.848 -11.919 -3.969 1.00 24.20 O ATOM 211 CG2 THR A 593 5.659 -12.280 -4.934 1.00 13.13 C ATOM 0 H THR A 593 7.063 -9.341 -3.432 1.00 75.52 H new ATOM 0 HA THR A 593 4.836 -11.082 -2.676 1.00 13.42 H new ATOM 0 HB THR A 593 6.353 -13.031 -3.057 1.00 40.04 H new ATOM 0 HG1 THR A 593 8.110 -11.006 -3.727 1.00 24.20 H new ATOM 0 HG21 THR A 593 6.064 -13.110 -5.513 1.00 13.13 H new ATOM 0 HG22 THR A 593 4.616 -12.482 -4.692 1.00 13.13 H new ATOM 0 HG23 THR A 593 5.725 -11.363 -5.519 1.00 13.13 H new ATOM 217 N VAL A 594 5.958 -11.726 -0.537 1.00 52.21 N ATOM 218 CA VAL A 594 6.435 -11.893 0.804 1.00 20.32 C ATOM 219 C VAL A 594 6.305 -13.358 1.210 1.00 14.23 C ATOM 220 O VAL A 594 5.293 -14.004 0.930 1.00 44.11 O ATOM 221 CB VAL A 594 5.674 -10.964 1.810 1.00 64.34 C ATOM 222 CG1 VAL A 594 4.167 -11.187 1.751 1.00 33.44 C ATOM 223 CG2 VAL A 594 6.177 -11.154 3.234 1.00 71.31 C ATOM 0 H VAL A 594 5.112 -12.259 -0.740 1.00 52.21 H new ATOM 0 HA VAL A 594 7.485 -11.602 0.836 1.00 20.32 H new ATOM 0 HB VAL A 594 5.879 -9.937 1.507 1.00 64.34 H new ATOM 0 HG11 VAL A 594 3.673 -10.525 2.462 1.00 33.44 H new ATOM 0 HG12 VAL A 594 3.807 -10.972 0.745 1.00 33.44 H new ATOM 0 HG13 VAL A 594 3.942 -12.223 2.003 1.00 33.44 H new ATOM 0 HG21 VAL A 594 5.627 -10.494 3.905 1.00 71.31 H new ATOM 0 HG22 VAL A 594 6.025 -12.190 3.538 1.00 71.31 H new ATOM 0 HG23 VAL A 594 7.239 -10.915 3.280 1.00 71.31 H new ATOM 229 N PHE A 595 7.327 -13.878 1.814 1.00 2.41 N ATOM 230 CA PHE A 595 7.331 -15.232 2.281 1.00 14.44 C ATOM 231 C PHE A 595 7.909 -15.264 3.670 1.00 71.30 C ATOM 232 O PHE A 595 8.813 -14.491 3.976 1.00 43.11 O ATOM 233 CB PHE A 595 8.116 -16.158 1.316 1.00 3.12 C ATOM 234 CG PHE A 595 9.552 -15.751 1.059 1.00 20.31 C ATOM 235 CD1 PHE A 595 9.870 -14.885 0.022 1.00 54.23 C ATOM 236 CD2 PHE A 595 10.579 -16.242 1.849 1.00 64.13 C ATOM 237 CE1 PHE A 595 11.179 -14.518 -0.218 1.00 20.45 C ATOM 238 CE2 PHE A 595 11.888 -15.879 1.612 1.00 12.21 C ATOM 239 CZ PHE A 595 12.189 -15.017 0.578 1.00 44.12 C ATOM 0 H PHE A 595 8.192 -13.370 2.000 1.00 2.41 H new ATOM 0 HA PHE A 595 6.309 -15.609 2.310 1.00 14.44 H new ATOM 0 HB2 PHE A 595 8.109 -17.169 1.722 1.00 3.12 H new ATOM 0 HB3 PHE A 595 7.589 -16.194 0.363 1.00 3.12 H new ATOM 0 HD1 PHE A 595 9.083 -14.493 -0.605 1.00 54.23 H new ATOM 0 HD2 PHE A 595 10.351 -16.917 2.660 1.00 64.13 H new ATOM 0 HE1 PHE A 595 11.412 -13.842 -1.027 1.00 20.45 H new ATOM 0 HE2 PHE A 595 12.678 -16.270 2.236 1.00 12.21 H new ATOM 0 HZ PHE A 595 13.214 -14.733 0.392 1.00 44.12 H new ATOM 249 N ASP A 596 7.386 -16.113 4.511 1.00 72.23 N ATOM 250 CA ASP A 596 7.889 -16.215 5.873 1.00 44.13 C ATOM 251 C ASP A 596 8.202 -17.654 6.179 1.00 55.21 C ATOM 252 O ASP A 596 7.356 -18.526 5.975 1.00 21.42 O ATOM 253 CB ASP A 596 6.870 -15.681 6.876 1.00 21.05 C ATOM 254 CG ASP A 596 7.408 -15.641 8.281 1.00 33.21 C ATOM 255 OD1 ASP A 596 7.449 -16.685 8.926 1.00 21.53 O ATOM 256 OD2 ASP A 596 7.835 -14.580 8.741 1.00 20.11 O ATOM 0 H ASP A 596 6.617 -16.745 4.289 1.00 72.23 H new ATOM 0 HA ASP A 596 8.793 -15.612 5.957 1.00 44.13 H new ATOM 0 HB2 ASP A 596 6.565 -14.678 6.579 1.00 21.05 H new ATOM 0 HB3 ASP A 596 5.978 -16.307 6.850 1.00 21.05 H new ATOM 261 N SER A 597 9.408 -17.903 6.633 1.00 63.12 N ATOM 262 CA SER A 597 9.861 -19.242 6.940 1.00 70.34 C ATOM 263 C SER A 597 9.167 -19.857 8.174 1.00 13.22 C ATOM 264 O SER A 597 8.793 -21.036 8.156 1.00 70.24 O ATOM 265 CB SER A 597 11.372 -19.238 7.096 1.00 34.32 C ATOM 266 OG SER A 597 11.982 -18.729 5.913 1.00 65.04 O ATOM 0 H SER A 597 10.107 -17.180 6.801 1.00 63.12 H new ATOM 0 HA SER A 597 9.580 -19.884 6.105 1.00 70.34 H new ATOM 0 HB2 SER A 597 11.656 -18.627 7.953 1.00 34.32 H new ATOM 0 HB3 SER A 597 11.728 -20.249 7.293 1.00 34.32 H new ATOM 0 HG SER A 597 12.956 -18.728 6.022 1.00 65.04 H new ATOM 272 N GLN A 598 8.974 -19.075 9.220 1.00 14.43 N ATOM 273 CA GLN A 598 8.358 -19.603 10.420 1.00 75.12 C ATOM 274 C GLN A 598 6.849 -19.757 10.335 1.00 14.01 C ATOM 275 O GLN A 598 6.309 -20.756 10.794 1.00 72.43 O ATOM 276 CB GLN A 598 8.847 -18.986 11.766 1.00 63.32 C ATOM 277 CG GLN A 598 8.946 -17.454 11.892 1.00 4.12 C ATOM 278 CD GLN A 598 10.118 -16.848 11.121 1.00 24.45 C ATOM 279 OE1 GLN A 598 11.233 -16.758 11.633 1.00 33.34 O ATOM 280 NE2 GLN A 598 9.877 -16.358 9.941 1.00 51.30 N ATOM 0 H GLN A 598 9.230 -18.089 9.263 1.00 14.43 H new ATOM 0 HA GLN A 598 8.750 -20.619 10.453 1.00 75.12 H new ATOM 0 HB2 GLN A 598 8.179 -19.338 12.552 1.00 63.32 H new ATOM 0 HB3 GLN A 598 9.834 -19.398 11.978 1.00 63.32 H new ATOM 0 HG2 GLN A 598 8.018 -17.008 11.534 1.00 4.12 H new ATOM 0 HG3 GLN A 598 9.041 -17.190 12.945 1.00 4.12 H new ATOM 0 HE21 GLN A 598 8.946 -16.443 9.534 1.00 51.30 H new ATOM 0 HE22 GLN A 598 10.619 -15.889 9.422 1.00 51.30 H new ATOM 288 N ALA A 599 6.172 -18.806 9.734 1.00 75.54 N ATOM 289 CA ALA A 599 4.729 -18.920 9.557 1.00 10.32 C ATOM 290 C ALA A 599 4.416 -19.802 8.347 1.00 42.54 C ATOM 291 O ALA A 599 3.302 -20.310 8.202 1.00 22.24 O ATOM 292 CB ALA A 599 4.096 -17.547 9.407 1.00 74.21 C ATOM 0 H ALA A 599 6.584 -17.951 9.361 1.00 75.54 H new ATOM 0 HA ALA A 599 4.304 -19.388 10.445 1.00 10.32 H new ATOM 0 HB1 ALA A 599 3.019 -17.655 9.276 1.00 74.21 H new ATOM 0 HB2 ALA A 599 4.295 -16.955 10.300 1.00 74.21 H new ATOM 0 HB3 ALA A 599 4.519 -17.045 8.537 1.00 74.21 H new ATOM 298 N GLY A 600 5.418 -19.981 7.493 1.00 72.12 N ATOM 299 CA GLY A 600 5.320 -20.899 6.371 1.00 64.24 C ATOM 300 C GLY A 600 4.300 -20.491 5.334 1.00 23.43 C ATOM 301 O GLY A 600 3.340 -21.224 5.077 1.00 62.45 O ATOM 0 H GLY A 600 6.313 -19.497 7.560 1.00 72.12 H new ATOM 0 HA2 GLY A 600 6.297 -20.980 5.894 1.00 64.24 H new ATOM 0 HA3 GLY A 600 5.066 -21.890 6.746 1.00 64.24 H new ATOM 305 N PHE A 601 4.474 -19.326 4.764 1.00 44.23 N ATOM 306 CA PHE A 601 3.581 -18.862 3.718 1.00 2.24 C ATOM 307 C PHE A 601 4.345 -18.194 2.596 1.00 43.23 C ATOM 308 O PHE A 601 5.531 -17.849 2.755 1.00 20.52 O ATOM 309 CB PHE A 601 2.503 -17.902 4.248 1.00 50.22 C ATOM 310 CG PHE A 601 3.017 -16.600 4.796 1.00 21.10 C ATOM 311 CD1 PHE A 601 3.404 -15.569 3.942 1.00 34.03 C ATOM 312 CD2 PHE A 601 3.097 -16.397 6.147 1.00 73.34 C ATOM 313 CE1 PHE A 601 3.859 -14.384 4.432 1.00 74.14 C ATOM 314 CE2 PHE A 601 3.554 -15.207 6.643 1.00 12.42 C ATOM 315 CZ PHE A 601 3.936 -14.200 5.780 1.00 64.42 C ATOM 0 H PHE A 601 5.224 -18.677 5.002 1.00 44.23 H new ATOM 0 HA PHE A 601 3.082 -19.751 3.332 1.00 2.24 H new ATOM 0 HB2 PHE A 601 1.803 -17.687 3.441 1.00 50.22 H new ATOM 0 HB3 PHE A 601 1.940 -18.410 5.031 1.00 50.22 H new ATOM 0 HD1 PHE A 601 3.342 -15.713 2.873 1.00 34.03 H new ATOM 0 HD2 PHE A 601 2.797 -17.182 6.826 1.00 73.34 H new ATOM 0 HE1 PHE A 601 4.157 -13.595 3.757 1.00 74.14 H new ATOM 0 HE2 PHE A 601 3.616 -15.055 7.711 1.00 12.42 H new ATOM 0 HZ PHE A 601 4.298 -13.262 6.175 1.00 64.42 H new ATOM 325 N SER A 602 3.676 -18.032 1.482 1.00 24.40 N ATOM 326 CA SER A 602 4.165 -17.250 0.381 1.00 61.21 C ATOM 327 C SER A 602 2.985 -16.450 -0.201 1.00 13.14 C ATOM 328 O SER A 602 1.968 -17.036 -0.595 1.00 25.43 O ATOM 329 CB SER A 602 4.786 -18.174 -0.678 1.00 3.50 C ATOM 330 OG SER A 602 3.862 -19.176 -1.088 1.00 62.44 O ATOM 0 H SER A 602 2.760 -18.449 1.315 1.00 24.40 H new ATOM 0 HA SER A 602 4.940 -16.559 0.713 1.00 61.21 H new ATOM 0 HB2 SER A 602 5.096 -17.586 -1.542 1.00 3.50 H new ATOM 0 HB3 SER A 602 5.682 -18.645 -0.274 1.00 3.50 H new ATOM 0 HG SER A 602 2.960 -18.795 -1.122 1.00 62.44 H new ATOM 336 N PHE A 603 3.111 -15.141 -0.242 1.00 42.25 N ATOM 337 CA PHE A 603 2.051 -14.277 -0.745 1.00 75.11 C ATOM 338 C PHE A 603 2.524 -13.261 -1.734 1.00 52.21 C ATOM 339 O PHE A 603 3.632 -12.730 -1.629 1.00 64.21 O ATOM 340 CB PHE A 603 1.252 -13.593 0.383 1.00 53.14 C ATOM 341 CG PHE A 603 0.220 -14.476 0.995 1.00 71.34 C ATOM 342 CD1 PHE A 603 -1.052 -14.523 0.455 1.00 55.43 C ATOM 343 CD2 PHE A 603 0.505 -15.265 2.085 1.00 44.43 C ATOM 344 CE1 PHE A 603 -2.013 -15.339 0.989 1.00 61.11 C ATOM 345 CE2 PHE A 603 -0.454 -16.086 2.628 1.00 64.20 C ATOM 346 CZ PHE A 603 -1.718 -16.122 2.076 1.00 61.22 C ATOM 0 H PHE A 603 3.945 -14.642 0.069 1.00 42.25 H new ATOM 0 HA PHE A 603 1.380 -14.954 -1.274 1.00 75.11 H new ATOM 0 HB2 PHE A 603 1.943 -13.262 1.158 1.00 53.14 H new ATOM 0 HB3 PHE A 603 0.767 -12.701 -0.014 1.00 53.14 H new ATOM 0 HD1 PHE A 603 -1.291 -13.908 -0.400 1.00 55.43 H new ATOM 0 HD2 PHE A 603 1.494 -15.239 2.519 1.00 44.43 H new ATOM 0 HE1 PHE A 603 -3.002 -15.366 0.555 1.00 61.11 H new ATOM 0 HE2 PHE A 603 -0.219 -16.701 3.484 1.00 64.20 H new ATOM 0 HZ PHE A 603 -2.474 -16.766 2.499 1.00 61.22 H new ATOM 356 N ASP A 604 1.679 -13.013 -2.694 1.00 0.51 N ATOM 357 CA ASP A 604 1.892 -12.018 -3.706 1.00 30.52 C ATOM 358 C ASP A 604 0.747 -11.025 -3.651 1.00 45.33 C ATOM 359 O ASP A 604 -0.426 -11.402 -3.708 1.00 75.34 O ATOM 360 CB ASP A 604 2.013 -12.652 -5.121 1.00 52.23 C ATOM 361 CG ASP A 604 0.779 -13.419 -5.579 1.00 12.04 C ATOM 362 OD1 ASP A 604 0.607 -14.591 -5.178 1.00 31.13 O ATOM 363 OD2 ASP A 604 -0.032 -12.868 -6.355 1.00 50.40 O ATOM 0 H ASP A 604 0.796 -13.513 -2.797 1.00 0.51 H new ATOM 0 HA ASP A 604 2.836 -11.508 -3.514 1.00 30.52 H new ATOM 0 HB2 ASP A 604 2.222 -11.862 -5.842 1.00 52.23 H new ATOM 0 HB3 ASP A 604 2.869 -13.327 -5.131 1.00 52.23 H new ATOM 368 N LEU A 605 1.071 -9.774 -3.487 1.00 75.13 N ATOM 369 CA LEU A 605 0.050 -8.740 -3.415 1.00 31.24 C ATOM 370 C LEU A 605 0.052 -7.914 -4.690 1.00 13.22 C ATOM 371 O LEU A 605 -0.509 -6.816 -4.758 1.00 21.43 O ATOM 372 CB LEU A 605 0.159 -7.864 -2.122 1.00 21.14 C ATOM 373 CG LEU A 605 -0.179 -8.572 -0.760 1.00 54.15 C ATOM 374 CD1 LEU A 605 0.799 -9.686 -0.405 1.00 13.20 C ATOM 375 CD2 LEU A 605 -0.270 -7.571 0.380 1.00 23.03 C ATOM 0 H LEU A 605 2.029 -9.435 -3.400 1.00 75.13 H new ATOM 0 HA LEU A 605 -0.919 -9.232 -3.336 1.00 31.24 H new ATOM 0 HB2 LEU A 605 1.175 -7.474 -2.060 1.00 21.14 H new ATOM 0 HB3 LEU A 605 -0.505 -7.007 -2.234 1.00 21.14 H new ATOM 0 HG LEU A 605 -1.155 -9.035 -0.903 1.00 54.15 H new ATOM 0 HD11 LEU A 605 0.510 -10.134 0.546 1.00 13.20 H new ATOM 0 HD12 LEU A 605 0.782 -10.447 -1.185 1.00 13.20 H new ATOM 0 HD13 LEU A 605 1.805 -9.274 -0.321 1.00 13.20 H new ATOM 0 HD21 LEU A 605 -0.505 -8.095 1.306 1.00 23.03 H new ATOM 0 HD22 LEU A 605 0.684 -7.054 0.487 1.00 23.03 H new ATOM 0 HD23 LEU A 605 -1.054 -6.845 0.165 1.00 23.03 H new ATOM 383 N THR A 606 0.644 -8.493 -5.717 1.00 23.11 N ATOM 384 CA THR A 606 0.686 -7.934 -7.037 1.00 24.53 C ATOM 385 C THR A 606 -0.760 -7.631 -7.579 1.00 71.42 C ATOM 386 O THR A 606 -0.998 -6.546 -8.096 1.00 33.45 O ATOM 387 CB THR A 606 1.390 -8.922 -7.973 1.00 12.34 C ATOM 388 OG1 THR A 606 2.547 -9.437 -7.294 1.00 24.21 O ATOM 389 CG2 THR A 606 1.840 -8.209 -9.232 1.00 24.13 C ATOM 0 H THR A 606 1.121 -9.392 -5.644 1.00 23.11 H new ATOM 0 HA THR A 606 1.233 -6.992 -6.998 1.00 24.53 H new ATOM 0 HB THR A 606 0.706 -9.727 -8.242 1.00 12.34 H new ATOM 0 HG1 THR A 606 3.012 -10.074 -7.876 1.00 24.21 H new ATOM 0 HG21 THR A 606 2.340 -8.918 -9.893 1.00 24.13 H new ATOM 0 HG22 THR A 606 0.973 -7.787 -9.741 1.00 24.13 H new ATOM 0 HG23 THR A 606 2.531 -7.408 -8.969 1.00 24.13 H new ATOM 395 N PRO A 607 -1.768 -8.579 -7.450 1.00 61.25 N ATOM 396 CA PRO A 607 -3.155 -8.332 -7.920 1.00 52.13 C ATOM 397 C PRO A 607 -3.871 -7.286 -7.069 1.00 0.43 C ATOM 398 O PRO A 607 -4.941 -6.804 -7.419 1.00 45.02 O ATOM 399 CB PRO A 607 -3.848 -9.696 -7.736 1.00 74.13 C ATOM 400 CG PRO A 607 -2.740 -10.673 -7.589 1.00 61.22 C ATOM 401 CD PRO A 607 -1.654 -9.945 -6.887 1.00 74.11 C ATOM 0 HA PRO A 607 -3.171 -7.955 -8.943 1.00 52.13 H new ATOM 0 HB2 PRO A 607 -4.493 -9.696 -6.857 1.00 74.13 H new ATOM 0 HB3 PRO A 607 -4.477 -9.938 -8.593 1.00 74.13 H new ATOM 0 HG2 PRO A 607 -3.060 -11.545 -7.018 1.00 61.22 H new ATOM 0 HG3 PRO A 607 -2.405 -11.034 -8.561 1.00 61.22 H new ATOM 0 HD2 PRO A 607 -1.794 -9.951 -5.806 1.00 74.11 H new ATOM 0 HD3 PRO A 607 -0.677 -10.385 -7.085 1.00 74.11 H new ATOM 409 N LEU A 608 -3.270 -6.949 -5.951 1.00 53.02 N ATOM 410 CA LEU A 608 -3.843 -6.021 -5.013 1.00 45.50 C ATOM 411 C LEU A 608 -3.374 -4.595 -5.423 1.00 71.14 C ATOM 412 O LEU A 608 -3.871 -3.597 -4.952 1.00 53.43 O ATOM 413 CB LEU A 608 -3.339 -6.425 -3.602 1.00 42.14 C ATOM 414 CG LEU A 608 -4.201 -6.095 -2.386 1.00 64.14 C ATOM 415 CD1 LEU A 608 -3.621 -6.765 -1.163 1.00 62.12 C ATOM 416 CD2 LEU A 608 -4.224 -4.644 -2.142 1.00 12.14 C ATOM 0 H LEU A 608 -2.362 -7.317 -5.668 1.00 53.02 H new ATOM 0 HA LEU A 608 -4.933 -6.033 -5.006 1.00 45.50 H new ATOM 0 HB2 LEU A 608 -3.176 -7.503 -3.607 1.00 42.14 H new ATOM 0 HB3 LEU A 608 -2.366 -5.956 -3.453 1.00 42.14 H new ATOM 0 HG LEU A 608 -5.213 -6.449 -2.580 1.00 64.14 H new ATOM 0 HD11 LEU A 608 -4.235 -6.530 -0.294 1.00 62.12 H new ATOM 0 HD12 LEU A 608 -3.603 -7.844 -1.314 1.00 62.12 H new ATOM 0 HD13 LEU A 608 -2.606 -6.404 -0.998 1.00 62.12 H new ATOM 0 HD21 LEU A 608 -4.844 -4.431 -1.271 1.00 12.14 H new ATOM 0 HD22 LEU A 608 -3.209 -4.289 -1.961 1.00 12.14 H new ATOM 0 HD23 LEU A 608 -4.636 -4.135 -3.013 1.00 12.14 H new ATOM 424 N THR A 609 -2.415 -4.547 -6.316 1.00 4.30 N ATOM 425 CA THR A 609 -1.882 -3.309 -6.844 1.00 61.01 C ATOM 426 C THR A 609 -2.852 -2.699 -7.892 1.00 42.12 C ATOM 427 O THR A 609 -3.207 -3.362 -8.869 1.00 25.31 O ATOM 428 CB THR A 609 -0.520 -3.598 -7.501 1.00 74.21 C ATOM 429 OG1 THR A 609 0.373 -4.164 -6.526 1.00 73.32 O ATOM 430 CG2 THR A 609 0.100 -2.354 -8.105 1.00 43.24 C ATOM 0 H THR A 609 -1.974 -5.380 -6.705 1.00 4.30 H new ATOM 0 HA THR A 609 -1.763 -2.592 -6.032 1.00 61.01 H new ATOM 0 HB THR A 609 -0.687 -4.305 -8.313 1.00 74.21 H new ATOM 0 HG1 THR A 609 1.100 -4.636 -6.983 1.00 73.32 H new ATOM 0 HG21 THR A 609 1.059 -2.608 -8.556 1.00 43.24 H new ATOM 0 HG22 THR A 609 -0.565 -1.950 -8.868 1.00 43.24 H new ATOM 0 HG23 THR A 609 0.252 -1.608 -7.325 1.00 43.24 H new ATOM 436 N LYS A 610 -3.271 -1.455 -7.686 1.00 0.43 N ATOM 437 CA LYS A 610 -4.156 -0.784 -8.648 1.00 51.43 C ATOM 438 C LYS A 610 -3.324 0.095 -9.546 1.00 24.11 C ATOM 439 O LYS A 610 -2.383 0.731 -9.085 1.00 73.31 O ATOM 440 CB LYS A 610 -5.218 0.102 -7.958 1.00 70.14 C ATOM 441 CG LYS A 610 -6.101 -0.623 -6.975 1.00 63.35 C ATOM 442 CD LYS A 610 -7.153 0.288 -6.300 1.00 0.43 C ATOM 443 CE LYS A 610 -8.417 0.556 -7.131 1.00 13.22 C ATOM 444 NZ LYS A 610 -8.186 1.286 -8.387 1.00 1.12 N ATOM 0 H LYS A 610 -3.019 -0.892 -6.874 1.00 0.43 H new ATOM 0 HA LYS A 610 -4.675 -1.561 -9.209 1.00 51.43 H new ATOM 0 HB2 LYS A 610 -4.711 0.915 -7.439 1.00 70.14 H new ATOM 0 HB3 LYS A 610 -5.847 0.556 -8.724 1.00 70.14 H new ATOM 0 HG2 LYS A 610 -6.613 -1.436 -7.490 1.00 63.35 H new ATOM 0 HG3 LYS A 610 -5.477 -1.077 -6.205 1.00 63.35 H new ATOM 0 HD2 LYS A 610 -7.449 -0.165 -5.354 1.00 0.43 H new ATOM 0 HD3 LYS A 610 -6.684 1.243 -6.063 1.00 0.43 H new ATOM 0 HE2 LYS A 610 -8.891 -0.398 -7.363 1.00 13.22 H new ATOM 0 HE3 LYS A 610 -9.122 1.122 -6.522 1.00 13.22 H new ATOM 0 HZ1 LYS A 610 -9.033 1.839 -8.628 1.00 1.12 H new ATOM 0 HZ2 LYS A 610 -7.375 1.927 -8.272 1.00 1.12 H new ATOM 0 HZ3 LYS A 610 -7.986 0.609 -9.150 1.00 1.12 H new ATOM 458 N LYS A 611 -3.677 0.163 -10.804 1.00 43.32 N ATOM 459 CA LYS A 611 -2.941 0.992 -11.753 1.00 15.32 C ATOM 460 C LYS A 611 -3.239 2.484 -11.532 1.00 74.23 C ATOM 461 O LYS A 611 -2.457 3.350 -11.923 1.00 21.24 O ATOM 462 CB LYS A 611 -3.244 0.578 -13.203 1.00 43.41 C ATOM 463 CG LYS A 611 -4.712 0.682 -13.603 1.00 75.15 C ATOM 464 CD LYS A 611 -4.920 0.269 -15.047 1.00 24.41 C ATOM 465 CE LYS A 611 -6.382 0.365 -15.446 1.00 23.32 C ATOM 466 NZ LYS A 611 -6.595 -0.028 -16.855 1.00 42.41 N ATOM 0 H LYS A 611 -4.468 -0.341 -11.205 1.00 43.32 H new ATOM 0 HA LYS A 611 -1.877 0.834 -11.576 1.00 15.32 H new ATOM 0 HB2 LYS A 611 -2.654 1.201 -13.875 1.00 43.41 H new ATOM 0 HB3 LYS A 611 -2.914 -0.450 -13.349 1.00 43.41 H new ATOM 0 HG2 LYS A 611 -5.314 0.049 -12.951 1.00 75.15 H new ATOM 0 HG3 LYS A 611 -5.058 1.706 -13.462 1.00 75.15 H new ATOM 0 HD2 LYS A 611 -4.321 0.905 -15.699 1.00 24.41 H new ATOM 0 HD3 LYS A 611 -4.569 -0.753 -15.189 1.00 24.41 H new ATOM 0 HE2 LYS A 611 -6.979 -0.275 -14.796 1.00 23.32 H new ATOM 0 HE3 LYS A 611 -6.733 1.386 -15.297 1.00 23.32 H new ATOM 0 HZ1 LYS A 611 -7.605 0.051 -17.089 1.00 42.41 H new ATOM 0 HZ2 LYS A 611 -6.046 0.599 -17.477 1.00 42.41 H new ATOM 0 HZ3 LYS A 611 -6.284 -1.011 -16.992 1.00 42.41 H new ATOM 480 N ASP A 612 -4.368 2.766 -10.901 1.00 1.20 N ATOM 481 CA ASP A 612 -4.782 4.151 -10.604 1.00 22.24 C ATOM 482 C ASP A 612 -4.357 4.532 -9.177 1.00 63.41 C ATOM 483 O ASP A 612 -4.421 5.709 -8.773 1.00 62.24 O ATOM 484 CB ASP A 612 -6.310 4.285 -10.779 1.00 62.03 C ATOM 485 CG ASP A 612 -6.837 5.695 -10.565 1.00 54.10 C ATOM 486 OD1 ASP A 612 -6.705 6.536 -11.478 1.00 72.15 O ATOM 487 OD2 ASP A 612 -7.394 5.980 -9.484 1.00 12.51 O ATOM 0 H ASP A 612 -5.026 2.057 -10.578 1.00 1.20 H new ATOM 0 HA ASP A 612 -4.293 4.834 -11.298 1.00 22.24 H new ATOM 0 HB2 ASP A 612 -6.580 3.956 -11.782 1.00 62.03 H new ATOM 0 HB3 ASP A 612 -6.806 3.613 -10.078 1.00 62.03 H new ATOM 492 N ALA A 613 -3.886 3.513 -8.443 1.00 75.22 N ATOM 493 CA ALA A 613 -3.437 3.625 -7.046 1.00 52.45 C ATOM 494 C ALA A 613 -4.590 3.865 -6.055 1.00 64.03 C ATOM 495 O ALA A 613 -5.748 4.023 -6.444 1.00 43.31 O ATOM 496 CB ALA A 613 -2.319 4.659 -6.883 1.00 31.13 C ATOM 0 H ALA A 613 -3.805 2.566 -8.812 1.00 75.22 H new ATOM 0 HA ALA A 613 -3.019 2.652 -6.789 1.00 52.45 H new ATOM 0 HB1 ALA A 613 -2.019 4.708 -5.836 1.00 31.13 H new ATOM 0 HB2 ALA A 613 -1.463 4.369 -7.493 1.00 31.13 H new ATOM 0 HB3 ALA A 613 -2.678 5.637 -7.204 1.00 31.13 H new ATOM 502 N TYR A 614 -4.248 3.857 -4.793 1.00 21.23 N ATOM 503 CA TYR A 614 -5.194 4.032 -3.678 1.00 54.14 C ATOM 504 C TYR A 614 -5.140 5.433 -3.103 1.00 55.14 C ATOM 505 O TYR A 614 -4.094 6.086 -3.132 1.00 21.10 O ATOM 506 CB TYR A 614 -4.902 3.027 -2.563 1.00 74.34 C ATOM 507 CG TYR A 614 -5.165 1.601 -2.937 1.00 53.53 C ATOM 508 CD1 TYR A 614 -4.273 0.902 -3.719 1.00 71.20 C ATOM 509 CD2 TYR A 614 -6.320 0.956 -2.517 1.00 3.03 C ATOM 510 CE1 TYR A 614 -4.509 -0.393 -4.074 1.00 34.11 C ATOM 511 CE2 TYR A 614 -6.571 -0.351 -2.870 1.00 73.41 C ATOM 512 CZ TYR A 614 -5.669 -1.025 -3.646 1.00 43.30 C ATOM 513 OH TYR A 614 -5.925 -2.327 -4.021 1.00 42.15 O ATOM 0 H TYR A 614 -3.284 3.727 -4.485 1.00 21.23 H new ATOM 0 HA TYR A 614 -6.192 3.861 -4.082 1.00 54.14 H new ATOM 0 HB2 TYR A 614 -3.858 3.126 -2.264 1.00 74.34 H new ATOM 0 HB3 TYR A 614 -5.508 3.280 -1.693 1.00 74.34 H new ATOM 0 HD1 TYR A 614 -3.370 1.388 -4.057 1.00 71.20 H new ATOM 0 HD2 TYR A 614 -7.033 1.487 -1.904 1.00 3.03 H new ATOM 0 HE1 TYR A 614 -3.796 -0.926 -4.686 1.00 34.11 H new ATOM 0 HE2 TYR A 614 -7.474 -0.840 -2.536 1.00 73.41 H new ATOM 0 HH TYR A 614 -5.203 -2.649 -4.600 1.00 42.15 H new ATOM 523 N LYS A 615 -6.262 5.884 -2.580 1.00 0.51 N ATOM 524 CA LYS A 615 -6.358 7.191 -1.981 1.00 11.43 C ATOM 525 C LYS A 615 -6.747 7.133 -0.500 1.00 23.40 C ATOM 526 O LYS A 615 -7.531 6.296 -0.089 1.00 60.42 O ATOM 527 CB LYS A 615 -7.270 8.126 -2.812 1.00 62.14 C ATOM 528 CG LYS A 615 -8.698 7.628 -3.106 1.00 70.23 C ATOM 529 CD LYS A 615 -9.632 7.608 -1.890 1.00 41.14 C ATOM 530 CE LYS A 615 -9.849 8.998 -1.311 1.00 75.24 C ATOM 531 NZ LYS A 615 -10.802 8.974 -0.170 1.00 74.52 N ATOM 0 H LYS A 615 -7.131 5.351 -2.560 1.00 0.51 H new ATOM 0 HA LYS A 615 -5.360 7.629 -1.999 1.00 11.43 H new ATOM 0 HB2 LYS A 615 -7.344 9.079 -2.289 1.00 62.14 H new ATOM 0 HB3 LYS A 615 -6.777 8.322 -3.764 1.00 62.14 H new ATOM 0 HG2 LYS A 615 -9.138 8.263 -3.875 1.00 70.23 H new ATOM 0 HG3 LYS A 615 -8.639 6.621 -3.519 1.00 70.23 H new ATOM 0 HD2 LYS A 615 -10.593 7.182 -2.179 1.00 41.14 H new ATOM 0 HD3 LYS A 615 -9.213 6.958 -1.122 1.00 41.14 H new ATOM 0 HE2 LYS A 615 -8.895 9.408 -0.980 1.00 75.24 H new ATOM 0 HE3 LYS A 615 -10.228 9.661 -2.088 1.00 75.24 H new ATOM 0 HZ1 LYS A 615 -11.031 9.949 0.112 1.00 74.52 H new ATOM 0 HZ2 LYS A 615 -11.673 8.483 -0.456 1.00 74.52 H new ATOM 0 HZ3 LYS A 615 -10.370 8.474 0.633 1.00 74.52 H new ATOM 545 N VAL A 616 -6.154 7.993 0.280 1.00 54.25 N ATOM 546 CA VAL A 616 -6.434 8.126 1.704 1.00 53.21 C ATOM 547 C VAL A 616 -6.634 9.600 1.965 1.00 62.43 C ATOM 548 O VAL A 616 -5.857 10.396 1.480 1.00 42.43 O ATOM 549 CB VAL A 616 -5.213 7.675 2.563 1.00 14.21 C ATOM 550 CG1 VAL A 616 -5.524 7.712 4.050 1.00 73.41 C ATOM 551 CG2 VAL A 616 -4.692 6.317 2.147 1.00 13.21 C ATOM 0 H VAL A 616 -5.442 8.643 -0.054 1.00 54.25 H new ATOM 0 HA VAL A 616 -7.298 7.515 1.964 1.00 53.21 H new ATOM 0 HB VAL A 616 -4.418 8.397 2.374 1.00 14.21 H new ATOM 0 HG11 VAL A 616 -4.648 7.391 4.613 1.00 73.41 H new ATOM 0 HG12 VAL A 616 -5.790 8.728 4.341 1.00 73.41 H new ATOM 0 HG13 VAL A 616 -6.358 7.044 4.264 1.00 73.41 H new ATOM 0 HG21 VAL A 616 -3.842 6.046 2.773 1.00 13.21 H new ATOM 0 HG22 VAL A 616 -5.481 5.574 2.263 1.00 13.21 H new ATOM 0 HG23 VAL A 616 -4.377 6.352 1.104 1.00 13.21 H new ATOM 557 N GLU A 617 -7.644 9.976 2.690 1.00 43.54 N ATOM 558 CA GLU A 617 -7.837 11.378 2.974 1.00 42.34 C ATOM 559 C GLU A 617 -8.077 11.610 4.446 1.00 62.31 C ATOM 560 O GLU A 617 -8.824 10.879 5.087 1.00 51.34 O ATOM 561 CB GLU A 617 -8.983 11.966 2.149 1.00 52.02 C ATOM 562 CG GLU A 617 -10.330 11.330 2.418 1.00 2.31 C ATOM 563 CD GLU A 617 -11.405 11.912 1.582 1.00 35.24 C ATOM 564 OE1 GLU A 617 -11.551 11.471 0.427 1.00 64.25 O ATOM 565 OE2 GLU A 617 -12.120 12.808 2.051 1.00 41.22 O ATOM 0 H GLU A 617 -8.340 9.349 3.093 1.00 43.54 H new ATOM 0 HA GLU A 617 -6.918 11.892 2.690 1.00 42.34 H new ATOM 0 HB2 GLU A 617 -9.051 13.035 2.352 1.00 52.02 H new ATOM 0 HB3 GLU A 617 -8.747 11.857 1.090 1.00 52.02 H new ATOM 0 HG2 GLU A 617 -10.267 10.258 2.230 1.00 2.31 H new ATOM 0 HG3 GLU A 617 -10.584 11.455 3.471 1.00 2.31 H new ATOM 572 N THR A 618 -7.425 12.595 4.974 1.00 64.33 N ATOM 573 CA THR A 618 -7.619 12.998 6.334 1.00 24.21 C ATOM 574 C THR A 618 -7.700 14.507 6.367 1.00 5.51 C ATOM 575 O THR A 618 -7.544 15.155 5.321 1.00 33.02 O ATOM 576 CB THR A 618 -6.457 12.523 7.258 1.00 5.40 C ATOM 577 OG1 THR A 618 -5.191 12.987 6.750 1.00 20.52 O ATOM 578 CG2 THR A 618 -6.433 11.007 7.398 1.00 50.24 C ATOM 0 H THR A 618 -6.734 13.150 4.469 1.00 64.33 H new ATOM 0 HA THR A 618 -8.536 12.541 6.706 1.00 24.21 H new ATOM 0 HB THR A 618 -6.629 12.950 8.246 1.00 5.40 H new ATOM 0 HG1 THR A 618 -5.125 12.776 5.795 1.00 20.52 H new ATOM 0 HG21 THR A 618 -5.609 10.715 8.049 1.00 50.24 H new ATOM 0 HG22 THR A 618 -7.375 10.666 7.829 1.00 50.24 H new ATOM 0 HG23 THR A 618 -6.298 10.553 6.416 1.00 50.24 H new ATOM 584 N ASP A 619 -7.936 15.070 7.523 1.00 34.01 N ATOM 585 CA ASP A 619 -7.939 16.522 7.686 1.00 23.15 C ATOM 586 C ASP A 619 -6.539 17.054 7.598 1.00 0.54 C ATOM 587 O ASP A 619 -6.316 18.237 7.336 1.00 73.02 O ATOM 588 CB ASP A 619 -8.581 16.950 9.005 1.00 24.22 C ATOM 589 CG ASP A 619 -10.070 16.754 9.030 1.00 10.20 C ATOM 590 OD1 ASP A 619 -10.811 17.669 8.590 1.00 12.44 O ATOM 591 OD2 ASP A 619 -10.531 15.696 9.500 1.00 70.22 O ATOM 0 H ASP A 619 -8.131 14.551 8.379 1.00 34.01 H new ATOM 0 HA ASP A 619 -8.539 16.941 6.878 1.00 23.15 H new ATOM 0 HB2 ASP A 619 -8.133 16.383 9.821 1.00 24.22 H new ATOM 0 HB3 ASP A 619 -8.356 18.001 9.187 1.00 24.22 H new ATOM 596 N LYS A 620 -5.596 16.173 7.807 1.00 1.23 N ATOM 597 CA LYS A 620 -4.213 16.519 7.764 1.00 64.34 C ATOM 598 C LYS A 620 -3.724 16.521 6.322 1.00 22.30 C ATOM 599 O LYS A 620 -3.394 17.564 5.778 1.00 32.33 O ATOM 600 CB LYS A 620 -3.403 15.523 8.596 1.00 14.33 C ATOM 601 CG LYS A 620 -3.804 15.472 10.061 1.00 34.12 C ATOM 602 CD LYS A 620 -3.044 14.398 10.828 1.00 24.40 C ATOM 603 CE LYS A 620 -1.544 14.640 10.813 1.00 51.20 C ATOM 604 NZ LYS A 620 -0.811 13.609 11.573 1.00 43.34 N ATOM 0 H LYS A 620 -5.775 15.190 8.013 1.00 1.23 H new ATOM 0 HA LYS A 620 -4.080 17.517 8.181 1.00 64.34 H new ATOM 0 HB2 LYS A 620 -3.515 14.528 8.164 1.00 14.33 H new ATOM 0 HB3 LYS A 620 -2.347 15.783 8.528 1.00 14.33 H new ATOM 0 HG2 LYS A 620 -3.620 16.443 10.520 1.00 34.12 H new ATOM 0 HG3 LYS A 620 -4.875 15.281 10.137 1.00 34.12 H new ATOM 0 HD2 LYS A 620 -3.396 14.371 11.859 1.00 24.40 H new ATOM 0 HD3 LYS A 620 -3.258 13.422 10.393 1.00 24.40 H new ATOM 0 HE2 LYS A 620 -1.189 14.652 9.783 1.00 51.20 H new ATOM 0 HE3 LYS A 620 -1.331 15.622 11.235 1.00 51.20 H new ATOM 0 HZ1 LYS A 620 0.038 14.031 12.001 1.00 43.34 H new ATOM 0 HZ2 LYS A 620 -1.424 13.229 12.322 1.00 43.34 H new ATOM 0 HZ3 LYS A 620 -0.530 12.840 10.932 1.00 43.34 H new ATOM 618 N TYR A 621 -3.706 15.368 5.693 1.00 1.25 N ATOM 619 CA TYR A 621 -3.199 15.266 4.328 1.00 21.42 C ATOM 620 C TYR A 621 -4.009 14.232 3.584 1.00 11.44 C ATOM 621 O TYR A 621 -4.808 13.510 4.192 1.00 54.21 O ATOM 622 CB TYR A 621 -1.735 14.765 4.332 1.00 44.31 C ATOM 623 CG TYR A 621 -0.784 15.484 5.265 1.00 72.30 C ATOM 624 CD1 TYR A 621 -0.130 16.647 4.889 1.00 14.11 C ATOM 625 CD2 TYR A 621 -0.534 14.975 6.536 1.00 42.41 C ATOM 626 CE1 TYR A 621 0.743 17.283 5.752 1.00 13.43 C ATOM 627 CE2 TYR A 621 0.331 15.597 7.400 1.00 52.13 C ATOM 628 CZ TYR A 621 0.969 16.751 7.005 1.00 72.40 C ATOM 629 OH TYR A 621 1.838 17.377 7.872 1.00 44.33 O ATOM 0 H TYR A 621 -4.032 14.489 6.094 1.00 1.25 H new ATOM 0 HA TYR A 621 -3.264 16.249 3.862 1.00 21.42 H new ATOM 0 HB2 TYR A 621 -1.736 13.707 4.593 1.00 44.31 H new ATOM 0 HB3 TYR A 621 -1.344 14.843 3.318 1.00 44.31 H new ATOM 0 HD1 TYR A 621 -0.305 17.062 3.908 1.00 14.11 H new ATOM 0 HD2 TYR A 621 -1.032 14.070 6.849 1.00 42.41 H new ATOM 0 HE1 TYR A 621 1.245 18.190 5.448 1.00 13.43 H new ATOM 0 HE2 TYR A 621 0.510 15.185 8.382 1.00 52.13 H new ATOM 0 HH TYR A 621 1.882 16.873 8.711 1.00 44.33 H new ATOM 639 N GLU A 622 -3.840 14.164 2.298 1.00 33.31 N ATOM 640 CA GLU A 622 -4.390 13.076 1.556 1.00 0.31 C ATOM 641 C GLU A 622 -3.239 12.289 0.972 1.00 3.44 C ATOM 642 O GLU A 622 -2.328 12.854 0.387 1.00 75.01 O ATOM 643 CB GLU A 622 -5.399 13.494 0.481 1.00 12.54 C ATOM 644 CG GLU A 622 -4.860 14.367 -0.621 1.00 21.52 C ATOM 645 CD GLU A 622 -5.872 14.538 -1.709 1.00 54.24 C ATOM 646 OE1 GLU A 622 -6.004 13.618 -2.545 1.00 52.23 O ATOM 647 OE2 GLU A 622 -6.570 15.560 -1.734 1.00 62.34 O ATOM 0 H GLU A 622 -3.326 14.849 1.744 1.00 33.31 H new ATOM 0 HA GLU A 622 -4.976 12.459 2.237 1.00 0.31 H new ATOM 0 HB2 GLU A 622 -5.818 12.593 0.033 1.00 12.54 H new ATOM 0 HB3 GLU A 622 -6.221 14.020 0.966 1.00 12.54 H new ATOM 0 HG2 GLU A 622 -4.586 15.342 -0.217 1.00 21.52 H new ATOM 0 HG3 GLU A 622 -3.952 13.924 -1.030 1.00 21.52 H new ATOM 654 N PHE A 623 -3.268 11.022 1.147 1.00 43.10 N ATOM 655 CA PHE A 623 -2.174 10.183 0.765 1.00 3.12 C ATOM 656 C PHE A 623 -2.588 9.338 -0.398 1.00 35.53 C ATOM 657 O PHE A 623 -3.728 8.905 -0.476 1.00 61.11 O ATOM 658 CB PHE A 623 -1.780 9.269 1.937 1.00 50.31 C ATOM 659 CG PHE A 623 -1.497 9.992 3.230 1.00 33.02 C ATOM 660 CD1 PHE A 623 -2.535 10.340 4.089 1.00 60.11 C ATOM 661 CD2 PHE A 623 -0.208 10.316 3.590 1.00 51.11 C ATOM 662 CE1 PHE A 623 -2.284 10.995 5.273 1.00 32.24 C ATOM 663 CE2 PHE A 623 0.050 10.974 4.778 1.00 73.10 C ATOM 664 CZ PHE A 623 -0.988 11.315 5.617 1.00 71.01 C ATOM 0 H PHE A 623 -4.055 10.523 1.563 1.00 43.10 H new ATOM 0 HA PHE A 623 -1.322 10.805 0.492 1.00 3.12 H new ATOM 0 HB2 PHE A 623 -2.582 8.551 2.106 1.00 50.31 H new ATOM 0 HB3 PHE A 623 -0.895 8.698 1.654 1.00 50.31 H new ATOM 0 HD1 PHE A 623 -3.552 10.093 3.823 1.00 60.11 H new ATOM 0 HD2 PHE A 623 0.611 10.053 2.937 1.00 51.11 H new ATOM 0 HE1 PHE A 623 -3.100 11.257 5.930 1.00 32.24 H new ATOM 0 HE2 PHE A 623 1.066 11.221 5.049 1.00 73.10 H new ATOM 0 HZ PHE A 623 -0.787 11.833 6.543 1.00 71.01 H new ATOM 674 N HIS A 624 -1.708 9.142 -1.316 1.00 35.41 N ATOM 675 CA HIS A 624 -1.968 8.254 -2.404 1.00 1.20 C ATOM 676 C HIS A 624 -0.912 7.186 -2.377 1.00 42.52 C ATOM 677 O HIS A 624 0.286 7.488 -2.448 1.00 25.14 O ATOM 678 CB HIS A 624 -2.051 9.005 -3.749 1.00 51.32 C ATOM 679 CG HIS A 624 -3.227 9.970 -3.819 1.00 41.24 C ATOM 680 ND1 HIS A 624 -4.427 9.657 -4.415 1.00 23.02 N ATOM 681 CD2 HIS A 624 -3.380 11.235 -3.330 1.00 72.35 C ATOM 682 CE1 HIS A 624 -5.269 10.673 -4.279 1.00 44.12 C ATOM 683 NE2 HIS A 624 -4.655 11.635 -3.632 1.00 14.11 N ATOM 0 H HIS A 624 -0.791 9.588 -1.338 1.00 35.41 H new ATOM 0 HA HIS A 624 -2.946 7.786 -2.296 1.00 1.20 H new ATOM 0 HB2 HIS A 624 -1.125 9.557 -3.908 1.00 51.32 H new ATOM 0 HB3 HIS A 624 -2.134 8.280 -4.559 1.00 51.32 H new ATOM 0 HD2 HIS A 624 -2.635 11.813 -2.803 1.00 72.35 H new ATOM 0 HE1 HIS A 624 -6.287 10.703 -4.639 1.00 44.12 H new ATOM 0 HE2 HIS A 624 -5.063 12.539 -3.392 1.00 14.11 H new ATOM 692 N ILE A 625 -1.352 5.950 -2.227 1.00 40.31 N ATOM 693 CA ILE A 625 -0.457 4.819 -1.987 1.00 44.35 C ATOM 694 C ILE A 625 -0.746 3.708 -2.997 1.00 54.52 C ATOM 695 O ILE A 625 -1.842 3.630 -3.547 1.00 1.20 O ATOM 696 CB ILE A 625 -0.689 4.254 -0.542 1.00 33.45 C ATOM 697 CG1 ILE A 625 -0.623 5.381 0.494 1.00 54.04 C ATOM 698 CG2 ILE A 625 0.339 3.169 -0.196 1.00 24.21 C ATOM 699 CD1 ILE A 625 -0.856 4.925 1.915 1.00 71.24 C ATOM 0 H ILE A 625 -2.339 5.696 -2.267 1.00 40.31 H new ATOM 0 HA ILE A 625 0.573 5.159 -2.092 1.00 44.35 H new ATOM 0 HB ILE A 625 -1.682 3.806 -0.520 1.00 33.45 H new ATOM 0 HG12 ILE A 625 0.354 5.860 0.433 1.00 54.04 H new ATOM 0 HG13 ILE A 625 -1.365 6.138 0.240 1.00 54.04 H new ATOM 0 HG21 ILE A 625 0.151 2.798 0.812 1.00 24.21 H new ATOM 0 HG22 ILE A 625 0.254 2.347 -0.907 1.00 24.21 H new ATOM 0 HG23 ILE A 625 1.343 3.590 -0.246 1.00 24.21 H new ATOM 0 HD11 ILE A 625 -0.793 5.781 2.587 1.00 71.24 H new ATOM 0 HD12 ILE A 625 -1.845 4.473 1.995 1.00 71.24 H new ATOM 0 HD13 ILE A 625 -0.099 4.191 2.190 1.00 71.24 H new ATOM 706 N ASN A 626 0.226 2.878 -3.243 1.00 71.32 N ATOM 707 CA ASN A 626 0.093 1.759 -4.135 1.00 20.21 C ATOM 708 C ASN A 626 0.854 0.608 -3.491 1.00 4.33 C ATOM 709 O ASN A 626 1.664 0.855 -2.619 1.00 54.25 O ATOM 710 CB ASN A 626 0.674 2.056 -5.518 1.00 25.12 C ATOM 711 CG ASN A 626 0.012 1.217 -6.594 1.00 22.23 C ATOM 712 OD1 ASN A 626 -0.517 0.129 -6.323 1.00 73.30 O ATOM 713 ND2 ASN A 626 0.044 1.693 -7.815 1.00 22.00 N ATOM 0 H ASN A 626 1.151 2.960 -2.822 1.00 71.32 H new ATOM 0 HA ASN A 626 -0.961 1.524 -4.286 1.00 20.21 H new ATOM 0 HB2 ASN A 626 0.543 3.113 -5.749 1.00 25.12 H new ATOM 0 HB3 ASN A 626 1.746 1.861 -5.512 1.00 25.12 H new ATOM 0 HD21 ASN A 626 -0.375 1.164 -8.580 1.00 22.00 H new ATOM 0 HD22 ASN A 626 0.488 2.592 -8.000 1.00 22.00 H new ATOM 719 N VAL A 627 0.517 -0.628 -3.813 1.00 3.02 N ATOM 720 CA VAL A 627 1.244 -1.783 -3.251 1.00 60.43 C ATOM 721 C VAL A 627 2.611 -1.924 -3.937 1.00 3.33 C ATOM 722 O VAL A 627 3.636 -2.154 -3.315 1.00 15.15 O ATOM 723 CB VAL A 627 0.443 -3.101 -3.416 1.00 54.43 C ATOM 724 CG1 VAL A 627 1.184 -4.279 -2.790 1.00 13.24 C ATOM 725 CG2 VAL A 627 -0.937 -2.962 -2.813 1.00 73.14 C ATOM 0 H VAL A 627 -0.242 -0.870 -4.450 1.00 3.02 H new ATOM 0 HA VAL A 627 1.380 -1.602 -2.185 1.00 60.43 H new ATOM 0 HB VAL A 627 0.339 -3.299 -4.483 1.00 54.43 H new ATOM 0 HG11 VAL A 627 0.598 -5.189 -2.921 1.00 13.24 H new ATOM 0 HG12 VAL A 627 2.153 -4.398 -3.275 1.00 13.24 H new ATOM 0 HG13 VAL A 627 1.331 -4.093 -1.726 1.00 13.24 H new ATOM 0 HG21 VAL A 627 -1.484 -3.896 -2.938 1.00 73.14 H new ATOM 0 HG22 VAL A 627 -0.849 -2.733 -1.751 1.00 73.14 H new ATOM 0 HG23 VAL A 627 -1.474 -2.157 -3.315 1.00 73.14 H new ATOM 731 N CYS A 628 2.592 -1.739 -5.192 1.00 42.44 N ATOM 732 CA CYS A 628 3.757 -1.811 -6.038 1.00 74.52 C ATOM 733 C CYS A 628 3.620 -0.776 -7.124 1.00 4.34 C ATOM 734 O CYS A 628 2.509 -0.410 -7.490 1.00 63.52 O ATOM 735 CB CYS A 628 3.895 -3.192 -6.700 1.00 14.13 C ATOM 736 SG CYS A 628 4.146 -4.608 -5.585 1.00 41.51 S ATOM 0 H CYS A 628 1.737 -1.522 -5.703 1.00 42.44 H new ATOM 0 HA CYS A 628 4.639 -1.635 -5.423 1.00 74.52 H new ATOM 0 HB2 CYS A 628 2.998 -3.378 -7.290 1.00 14.13 H new ATOM 0 HB3 CYS A 628 4.733 -3.154 -7.396 1.00 14.13 H new ATOM 741 N GLY A 629 4.721 -0.305 -7.629 1.00 54.12 N ATOM 742 CA GLY A 629 4.678 0.648 -8.687 1.00 1.30 C ATOM 743 C GLY A 629 4.527 2.050 -8.166 1.00 3.25 C ATOM 744 O GLY A 629 4.720 2.299 -6.973 1.00 32.11 O ATOM 0 H GLY A 629 5.658 -0.568 -7.323 1.00 54.12 H new ATOM 0 HA2 GLY A 629 5.590 0.576 -9.279 1.00 1.30 H new ATOM 0 HA3 GLY A 629 3.847 0.416 -9.353 1.00 1.30 H new ATOM 748 N PRO A 630 4.219 2.999 -9.023 1.00 62.25 N ATOM 749 CA PRO A 630 4.030 4.363 -8.625 1.00 71.00 C ATOM 750 C PRO A 630 2.567 4.689 -8.347 1.00 11.43 C ATOM 751 O PRO A 630 1.657 3.873 -8.596 1.00 0.44 O ATOM 752 CB PRO A 630 4.519 5.145 -9.848 1.00 72.25 C ATOM 753 CG PRO A 630 4.532 4.164 -10.998 1.00 4.30 C ATOM 754 CD PRO A 630 4.044 2.841 -10.463 1.00 53.12 C ATOM 0 HA PRO A 630 4.556 4.598 -7.700 1.00 71.00 H new ATOM 0 HB2 PRO A 630 3.860 5.986 -10.061 1.00 72.25 H new ATOM 0 HB3 PRO A 630 5.514 5.556 -9.675 1.00 72.25 H new ATOM 0 HG2 PRO A 630 3.890 4.512 -11.807 1.00 4.30 H new ATOM 0 HG3 PRO A 630 5.537 4.066 -11.408 1.00 4.30 H new ATOM 0 HD2 PRO A 630 3.003 2.655 -10.727 1.00 53.12 H new ATOM 0 HD3 PRO A 630 4.626 2.006 -10.853 1.00 53.12 H new ATOM 762 N VAL A 631 2.340 5.861 -7.832 1.00 14.31 N ATOM 763 CA VAL A 631 0.996 6.332 -7.609 1.00 70.12 C ATOM 764 C VAL A 631 0.660 7.425 -8.579 1.00 15.21 C ATOM 765 O VAL A 631 1.497 8.296 -8.875 1.00 51.11 O ATOM 766 CB VAL A 631 0.768 6.850 -6.162 1.00 50.04 C ATOM 767 CG1 VAL A 631 0.893 5.729 -5.192 1.00 33.44 C ATOM 768 CG2 VAL A 631 1.742 7.970 -5.794 1.00 72.25 C ATOM 0 H VAL A 631 3.071 6.516 -7.555 1.00 14.31 H new ATOM 0 HA VAL A 631 0.341 5.474 -7.760 1.00 70.12 H new ATOM 0 HB VAL A 631 -0.240 7.262 -6.117 1.00 50.04 H new ATOM 0 HG11 VAL A 631 0.731 6.103 -4.181 1.00 33.44 H new ATOM 0 HG12 VAL A 631 0.149 4.966 -5.420 1.00 33.44 H new ATOM 0 HG13 VAL A 631 1.891 5.296 -5.263 1.00 33.44 H new ATOM 0 HG21 VAL A 631 1.547 8.302 -4.774 1.00 72.25 H new ATOM 0 HG22 VAL A 631 2.765 7.601 -5.866 1.00 72.25 H new ATOM 0 HG23 VAL A 631 1.610 8.807 -6.479 1.00 72.25 H new ATOM 774 N SER A 632 -0.537 7.383 -9.103 1.00 62.15 N ATOM 775 CA SER A 632 -0.942 8.414 -10.013 1.00 15.54 C ATOM 776 C SER A 632 -1.606 9.523 -9.218 1.00 10.45 C ATOM 777 O SER A 632 -2.555 9.274 -8.460 1.00 14.45 O ATOM 778 CB SER A 632 -1.915 7.836 -11.037 1.00 12.24 C ATOM 779 OG SER A 632 -1.327 6.734 -11.726 1.00 41.35 O ATOM 0 H SER A 632 -1.234 6.661 -8.919 1.00 62.15 H new ATOM 0 HA SER A 632 -0.078 8.814 -10.544 1.00 15.54 H new ATOM 0 HB2 SER A 632 -2.828 7.513 -10.537 1.00 12.24 H new ATOM 0 HB3 SER A 632 -2.199 8.608 -11.752 1.00 12.24 H new ATOM 0 HG SER A 632 -1.967 6.376 -12.377 1.00 41.35 H new ATOM 785 N VAL A 633 -1.105 10.735 -9.378 1.00 40.55 N ATOM 786 CA VAL A 633 -1.617 11.912 -8.694 1.00 15.15 C ATOM 787 C VAL A 633 -1.276 13.107 -9.582 1.00 72.12 C ATOM 788 O VAL A 633 -0.334 13.029 -10.383 1.00 4.44 O ATOM 789 CB VAL A 633 -0.915 12.147 -7.292 1.00 63.04 C ATOM 790 CG1 VAL A 633 -1.611 13.226 -6.479 1.00 62.44 C ATOM 791 CG2 VAL A 633 -0.748 10.875 -6.467 1.00 62.25 C ATOM 0 H VAL A 633 -0.318 10.934 -9.996 1.00 40.55 H new ATOM 0 HA VAL A 633 -2.685 11.785 -8.518 1.00 15.15 H new ATOM 0 HB VAL A 633 0.090 12.493 -7.535 1.00 63.04 H new ATOM 0 HG11 VAL A 633 -1.096 13.353 -5.527 1.00 62.44 H new ATOM 0 HG12 VAL A 633 -1.592 14.166 -7.030 1.00 62.44 H new ATOM 0 HG13 VAL A 633 -2.645 12.934 -6.296 1.00 62.44 H new ATOM 0 HG21 VAL A 633 -0.261 11.115 -5.522 1.00 62.25 H new ATOM 0 HG22 VAL A 633 -1.727 10.438 -6.269 1.00 62.25 H new ATOM 0 HG23 VAL A 633 -0.137 10.161 -7.019 1.00 62.25 H new ATOM 797 N GLY A 634 -2.003 14.186 -9.453 1.00 4.51 N ATOM 798 CA GLY A 634 -1.712 15.359 -10.238 1.00 21.22 C ATOM 799 C GLY A 634 -0.563 16.173 -9.656 1.00 73.42 C ATOM 800 O GLY A 634 0.232 16.754 -10.393 1.00 34.30 O ATOM 0 H GLY A 634 -2.795 14.278 -8.817 1.00 4.51 H new ATOM 0 HA2 GLY A 634 -1.463 15.060 -11.256 1.00 21.22 H new ATOM 0 HA3 GLY A 634 -2.603 15.984 -10.298 1.00 21.22 H new ATOM 804 N ALA A 635 -0.473 16.216 -8.341 1.00 55.24 N ATOM 805 CA ALA A 635 0.561 16.995 -7.655 1.00 62.42 C ATOM 806 C ALA A 635 1.763 16.141 -7.230 1.00 53.20 C ATOM 807 O ALA A 635 2.647 16.615 -6.509 1.00 24.24 O ATOM 808 CB ALA A 635 -0.041 17.694 -6.441 1.00 32.33 C ATOM 0 H ALA A 635 -1.106 15.719 -7.714 1.00 55.24 H new ATOM 0 HA ALA A 635 0.933 17.734 -8.365 1.00 62.42 H new ATOM 0 HB1 ALA A 635 0.731 18.272 -5.934 1.00 32.33 H new ATOM 0 HB2 ALA A 635 -0.840 18.361 -6.764 1.00 32.33 H new ATOM 0 HB3 ALA A 635 -0.445 16.949 -5.756 1.00 32.33 H new ATOM 814 N CYS A 636 1.821 14.911 -7.680 1.00 34.54 N ATOM 815 CA CYS A 636 2.923 14.036 -7.294 1.00 61.12 C ATOM 816 C CYS A 636 3.573 13.429 -8.519 1.00 63.23 C ATOM 817 O CYS A 636 2.916 13.280 -9.563 1.00 21.53 O ATOM 818 CB CYS A 636 2.445 12.935 -6.344 1.00 41.42 C ATOM 819 SG CYS A 636 1.686 13.554 -4.811 1.00 15.04 S ATOM 0 H CYS A 636 1.134 14.490 -8.305 1.00 34.54 H new ATOM 0 HA CYS A 636 3.663 14.640 -6.769 1.00 61.12 H new ATOM 0 HB2 CYS A 636 1.723 12.307 -6.866 1.00 41.42 H new ATOM 0 HB3 CYS A 636 3.292 12.299 -6.086 1.00 41.42 H new ATOM 824 N PRO A 637 4.866 13.076 -8.437 1.00 31.05 N ATOM 825 CA PRO A 637 5.576 12.491 -9.554 1.00 42.42 C ATOM 826 C PRO A 637 5.202 11.015 -9.747 1.00 31.52 C ATOM 827 O PRO A 637 5.045 10.274 -8.770 1.00 5.21 O ATOM 828 CB PRO A 637 7.048 12.613 -9.138 1.00 1.41 C ATOM 829 CG PRO A 637 7.032 12.566 -7.655 1.00 50.20 C ATOM 830 CD PRO A 637 5.744 13.211 -7.234 1.00 15.43 C ATOM 0 HA PRO A 637 5.344 12.983 -10.499 1.00 42.42 H new ATOM 0 HB2 PRO A 637 7.644 11.800 -9.552 1.00 1.41 H new ATOM 0 HB3 PRO A 637 7.484 13.544 -9.499 1.00 1.41 H new ATOM 0 HG2 PRO A 637 7.089 11.538 -7.297 1.00 50.20 H new ATOM 0 HG3 PRO A 637 7.888 13.097 -7.239 1.00 50.20 H new ATOM 0 HD2 PRO A 637 5.312 12.713 -6.366 1.00 15.43 H new ATOM 0 HD3 PRO A 637 5.891 14.256 -6.961 1.00 15.43 H new ATOM 838 N PRO A 638 5.050 10.556 -10.997 1.00 4.12 N ATOM 839 CA PRO A 638 4.763 9.130 -11.313 1.00 34.12 C ATOM 840 C PRO A 638 5.983 8.214 -11.055 1.00 50.35 C ATOM 841 O PRO A 638 6.126 7.156 -11.660 1.00 35.40 O ATOM 842 CB PRO A 638 4.442 9.161 -12.818 1.00 3.43 C ATOM 843 CG PRO A 638 4.208 10.595 -13.136 1.00 53.24 C ATOM 844 CD PRO A 638 5.091 11.368 -12.216 1.00 41.24 C ATOM 0 HA PRO A 638 3.962 8.730 -10.692 1.00 34.12 H new ATOM 0 HB2 PRO A 638 5.267 8.757 -13.405 1.00 3.43 H new ATOM 0 HB3 PRO A 638 3.563 8.558 -13.046 1.00 3.43 H new ATOM 0 HG2 PRO A 638 4.448 10.808 -14.178 1.00 53.24 H new ATOM 0 HG3 PRO A 638 3.161 10.862 -12.989 1.00 53.24 H new ATOM 0 HD2 PRO A 638 6.104 11.464 -12.608 1.00 41.24 H new ATOM 0 HD3 PRO A 638 4.718 12.378 -12.046 1.00 41.24 H new ATOM 852 N ASP A 639 6.826 8.630 -10.145 1.00 74.15 N ATOM 853 CA ASP A 639 8.012 7.893 -9.753 1.00 63.55 C ATOM 854 C ASP A 639 7.907 7.510 -8.273 1.00 72.14 C ATOM 855 O ASP A 639 8.597 6.603 -7.789 1.00 14.43 O ATOM 856 CB ASP A 639 9.262 8.752 -10.011 1.00 31.14 C ATOM 857 CG ASP A 639 10.559 8.084 -9.601 1.00 64.05 C ATOM 858 OD1 ASP A 639 11.115 7.276 -10.388 1.00 72.54 O ATOM 859 OD2 ASP A 639 11.056 8.371 -8.512 1.00 40.34 O ATOM 0 H ASP A 639 6.709 9.509 -9.642 1.00 74.15 H new ATOM 0 HA ASP A 639 8.094 6.980 -10.343 1.00 63.55 H new ATOM 0 HB2 ASP A 639 9.310 8.997 -11.072 1.00 31.14 H new ATOM 0 HB3 ASP A 639 9.162 9.693 -9.470 1.00 31.14 H new ATOM 864 N SER A 640 7.024 8.196 -7.561 1.00 73.53 N ATOM 865 CA SER A 640 6.809 7.927 -6.158 1.00 74.31 C ATOM 866 C SER A 640 5.717 6.893 -5.985 1.00 71.43 C ATOM 867 O SER A 640 4.739 6.891 -6.744 1.00 63.41 O ATOM 868 CB SER A 640 6.444 9.218 -5.423 1.00 30.32 C ATOM 869 OG SER A 640 5.318 9.855 -6.011 1.00 50.52 O ATOM 0 H SER A 640 6.445 8.946 -7.940 1.00 73.53 H new ATOM 0 HA SER A 640 7.731 7.533 -5.730 1.00 74.31 H new ATOM 0 HB2 SER A 640 6.231 8.994 -4.378 1.00 30.32 H new ATOM 0 HB3 SER A 640 7.296 9.898 -5.437 1.00 30.32 H new ATOM 0 HG SER A 640 5.496 10.024 -6.960 1.00 50.52 H new ATOM 875 N GLY A 641 5.871 6.029 -5.004 1.00 72.23 N ATOM 876 CA GLY A 641 4.875 5.006 -4.772 1.00 11.12 C ATOM 877 C GLY A 641 3.999 5.342 -3.580 1.00 22.12 C ATOM 878 O GLY A 641 3.047 4.633 -3.266 1.00 24.13 O ATOM 0 H GLY A 641 6.664 6.014 -4.363 1.00 72.23 H new ATOM 0 HA2 GLY A 641 4.254 4.893 -5.661 1.00 11.12 H new ATOM 0 HA3 GLY A 641 5.368 4.048 -4.604 1.00 11.12 H new ATOM 882 N ALA A 642 4.343 6.421 -2.911 1.00 23.54 N ATOM 883 CA ALA A 642 3.547 6.969 -1.830 1.00 33.13 C ATOM 884 C ALA A 642 3.760 8.473 -1.789 1.00 21.23 C ATOM 885 O ALA A 642 4.895 8.941 -1.716 1.00 64.10 O ATOM 886 CB ALA A 642 3.941 6.337 -0.500 1.00 35.32 C ATOM 0 H ALA A 642 5.193 6.950 -3.103 1.00 23.54 H new ATOM 0 HA ALA A 642 2.493 6.750 -2.001 1.00 33.13 H new ATOM 0 HB1 ALA A 642 3.333 6.761 0.299 1.00 35.32 H new ATOM 0 HB2 ALA A 642 3.779 5.260 -0.547 1.00 35.32 H new ATOM 0 HB3 ALA A 642 4.994 6.537 -0.300 1.00 35.32 H new ATOM 892 N CYS A 643 2.692 9.225 -1.873 1.00 51.04 N ATOM 893 CA CYS A 643 2.783 10.686 -1.869 1.00 62.42 C ATOM 894 C CYS A 643 1.591 11.306 -1.156 1.00 74.40 C ATOM 895 O CYS A 643 0.451 10.852 -1.331 1.00 33.43 O ATOM 896 CB CYS A 643 2.894 11.228 -3.290 1.00 54.42 C ATOM 897 SG CYS A 643 3.039 13.048 -3.399 1.00 30.51 S ATOM 0 H CYS A 643 1.742 8.861 -1.946 1.00 51.04 H new ATOM 0 HA CYS A 643 3.686 10.961 -1.325 1.00 62.42 H new ATOM 0 HB2 CYS A 643 3.763 10.778 -3.770 1.00 54.42 H new ATOM 0 HB3 CYS A 643 2.018 10.912 -3.855 1.00 54.42 H new ATOM 902 N GLN A 644 1.851 12.307 -0.336 1.00 1.34 N ATOM 903 CA GLN A 644 0.808 12.982 0.383 1.00 51.11 C ATOM 904 C GLN A 644 0.635 14.369 -0.158 1.00 1.45 C ATOM 905 O GLN A 644 1.614 15.067 -0.447 1.00 5.22 O ATOM 906 CB GLN A 644 1.081 13.043 1.900 1.00 14.02 C ATOM 907 CG GLN A 644 2.267 13.898 2.334 1.00 42.20 C ATOM 908 CD GLN A 644 2.506 13.835 3.832 1.00 45.15 C ATOM 909 OE1 GLN A 644 1.591 13.644 4.603 1.00 55.25 O ATOM 910 NE2 GLN A 644 3.723 14.001 4.247 1.00 42.35 N ATOM 0 H GLN A 644 2.788 12.667 -0.156 1.00 1.34 H new ATOM 0 HA GLN A 644 -0.107 12.407 0.242 1.00 51.11 H new ATOM 0 HB2 GLN A 644 0.186 13.421 2.395 1.00 14.02 H new ATOM 0 HB3 GLN A 644 1.240 12.027 2.261 1.00 14.02 H new ATOM 0 HG2 GLN A 644 3.163 13.564 1.811 1.00 42.20 H new ATOM 0 HG3 GLN A 644 2.093 14.933 2.039 1.00 42.20 H new ATOM 0 HE21 GLN A 644 4.474 14.160 3.575 1.00 42.35 H new ATOM 0 HE22 GLN A 644 3.930 13.972 5.245 1.00 42.35 H new ATOM 918 N VAL A 645 -0.577 14.755 -0.311 1.00 32.24 N ATOM 919 CA VAL A 645 -0.904 16.062 -0.742 1.00 12.34 C ATOM 920 C VAL A 645 -1.511 16.783 0.434 1.00 4.31 C ATOM 921 O VAL A 645 -2.509 16.324 1.017 1.00 30.22 O ATOM 922 CB VAL A 645 -1.912 16.048 -1.928 1.00 43.12 C ATOM 923 CG1 VAL A 645 -2.226 17.465 -2.399 1.00 62.52 C ATOM 924 CG2 VAL A 645 -1.382 15.207 -3.082 1.00 71.21 C ATOM 0 H VAL A 645 -1.386 14.159 -0.137 1.00 32.24 H new ATOM 0 HA VAL A 645 -0.003 16.562 -1.097 1.00 12.34 H new ATOM 0 HB VAL A 645 -2.838 15.596 -1.571 1.00 43.12 H new ATOM 0 HG11 VAL A 645 -2.932 17.425 -3.228 1.00 62.52 H new ATOM 0 HG12 VAL A 645 -2.663 18.033 -1.578 1.00 62.52 H new ATOM 0 HG13 VAL A 645 -1.308 17.951 -2.728 1.00 62.52 H new ATOM 0 HG21 VAL A 645 -2.104 15.213 -3.898 1.00 71.21 H new ATOM 0 HG22 VAL A 645 -0.437 15.623 -3.431 1.00 71.21 H new ATOM 0 HG23 VAL A 645 -1.225 14.183 -2.744 1.00 71.21 H new ATOM 930 N SER A 646 -0.893 17.859 0.821 1.00 64.24 N ATOM 931 CA SER A 646 -1.377 18.664 1.880 1.00 52.11 C ATOM 932 C SER A 646 -2.648 19.318 1.423 1.00 71.43 C ATOM 933 O SER A 646 -2.748 19.776 0.283 1.00 63.12 O ATOM 934 CB SER A 646 -0.331 19.720 2.245 1.00 60.54 C ATOM 935 OG SER A 646 -0.798 20.592 3.249 1.00 15.01 O ATOM 0 H SER A 646 -0.029 18.199 0.399 1.00 64.24 H new ATOM 0 HA SER A 646 -1.571 18.058 2.765 1.00 52.11 H new ATOM 0 HB2 SER A 646 0.580 19.227 2.586 1.00 60.54 H new ATOM 0 HB3 SER A 646 -0.069 20.295 1.357 1.00 60.54 H new ATOM 0 HG SER A 646 -0.210 20.535 4.031 1.00 15.01 H new ATOM 941 N ARG A 647 -3.597 19.378 2.291 1.00 14.12 N ATOM 942 CA ARG A 647 -4.862 19.916 1.928 1.00 75.30 C ATOM 943 C ARG A 647 -4.935 21.347 2.413 1.00 64.45 C ATOM 944 O ARG A 647 -5.526 22.190 1.777 1.00 74.44 O ATOM 945 CB ARG A 647 -5.984 19.042 2.507 1.00 24.45 C ATOM 946 CG ARG A 647 -5.766 17.552 2.204 1.00 13.42 C ATOM 947 CD ARG A 647 -6.895 16.665 2.687 1.00 54.41 C ATOM 948 NE ARG A 647 -8.117 16.802 1.887 1.00 3.45 N ATOM 949 CZ ARG A 647 -9.289 16.209 2.190 1.00 22.44 C ATOM 950 NH1 ARG A 647 -9.437 15.554 3.347 1.00 1.21 N ATOM 951 NH2 ARG A 647 -10.310 16.292 1.349 1.00 71.32 N ATOM 0 H ARG A 647 -3.522 19.061 3.258 1.00 14.12 H new ATOM 0 HA ARG A 647 -4.988 19.918 0.845 1.00 75.30 H new ATOM 0 HB2 ARG A 647 -6.038 19.189 3.586 1.00 24.45 H new ATOM 0 HB3 ARG A 647 -6.941 19.360 2.094 1.00 24.45 H new ATOM 0 HG2 ARG A 647 -5.647 17.422 1.128 1.00 13.42 H new ATOM 0 HG3 ARG A 647 -4.835 17.227 2.669 1.00 13.42 H new ATOM 0 HD2 ARG A 647 -6.568 15.626 2.664 1.00 54.41 H new ATOM 0 HD3 ARG A 647 -7.119 16.906 3.726 1.00 54.41 H new ATOM 0 HE ARG A 647 -8.077 17.382 1.049 1.00 3.45 H new ATOM 0 HH11 ARG A 647 -8.660 15.501 4.006 1.00 1.21 H new ATOM 0 HH12 ARG A 647 -10.327 15.108 3.570 1.00 1.21 H new ATOM 0 HH21 ARG A 647 -10.209 16.804 0.473 1.00 71.32 H new ATOM 0 HH22 ARG A 647 -11.197 15.843 1.578 1.00 71.32 H new ATOM 963 N SER A 648 -4.302 21.608 3.541 1.00 62.02 N ATOM 964 CA SER A 648 -4.263 22.935 4.100 1.00 31.41 C ATOM 965 C SER A 648 -3.139 23.793 3.489 1.00 22.31 C ATOM 966 O SER A 648 -3.330 24.972 3.211 1.00 43.45 O ATOM 967 CB SER A 648 -4.103 22.844 5.602 1.00 65.12 C ATOM 968 OG SER A 648 -5.093 21.971 6.151 1.00 44.42 O ATOM 0 H SER A 648 -3.804 20.906 4.089 1.00 62.02 H new ATOM 0 HA SER A 648 -5.204 23.429 3.858 1.00 31.41 H new ATOM 0 HB2 SER A 648 -3.107 22.476 5.847 1.00 65.12 H new ATOM 0 HB3 SER A 648 -4.195 23.835 6.046 1.00 65.12 H new ATOM 0 HG SER A 648 -4.979 21.918 7.123 1.00 44.42 H new ATOM 974 N ASP A 649 -1.970 23.200 3.267 1.00 61.14 N ATOM 975 CA ASP A 649 -0.816 23.981 2.794 1.00 40.23 C ATOM 976 C ASP A 649 -0.632 23.816 1.275 1.00 32.44 C ATOM 977 O ASP A 649 0.105 24.558 0.634 1.00 40.04 O ATOM 978 CB ASP A 649 0.441 23.548 3.576 1.00 41.34 C ATOM 979 CG ASP A 649 1.664 24.396 3.315 1.00 23.55 C ATOM 980 OD1 ASP A 649 1.705 25.554 3.795 1.00 52.11 O ATOM 981 OD2 ASP A 649 2.595 23.920 2.672 1.00 45.11 O ATOM 0 H ASP A 649 -1.791 22.205 3.401 1.00 61.14 H new ATOM 0 HA ASP A 649 -0.989 25.041 2.977 1.00 40.23 H new ATOM 0 HB2 ASP A 649 0.217 23.574 4.642 1.00 41.34 H new ATOM 0 HB3 ASP A 649 0.672 22.513 3.324 1.00 41.34 H new ATOM 986 N ARG A 650 -1.375 22.860 0.716 1.00 31.32 N ATOM 987 CA ARG A 650 -1.417 22.553 -0.739 1.00 44.32 C ATOM 988 C ARG A 650 -0.071 22.127 -1.342 1.00 15.45 C ATOM 989 O ARG A 650 0.142 22.227 -2.553 1.00 42.45 O ATOM 990 CB ARG A 650 -2.070 23.683 -1.584 1.00 44.13 C ATOM 991 CG ARG A 650 -3.569 23.882 -1.340 1.00 20.10 C ATOM 992 CD ARG A 650 -3.873 24.565 -0.015 1.00 72.35 C ATOM 993 NE ARG A 650 -5.314 24.593 0.275 1.00 61.30 N ATOM 994 CZ ARG A 650 -5.950 25.531 0.992 1.00 20.20 C ATOM 995 NH1 ARG A 650 -5.314 26.635 1.375 1.00 11.44 N ATOM 996 NH2 ARG A 650 -7.229 25.365 1.307 1.00 31.15 N ATOM 0 H ARG A 650 -1.985 22.255 1.265 1.00 31.32 H new ATOM 0 HA ARG A 650 -2.064 21.678 -0.795 1.00 44.32 H new ATOM 0 HB2 ARG A 650 -1.554 24.620 -1.373 1.00 44.13 H new ATOM 0 HB3 ARG A 650 -1.914 23.464 -2.640 1.00 44.13 H new ATOM 0 HG2 ARG A 650 -3.987 24.476 -2.152 1.00 20.10 H new ATOM 0 HG3 ARG A 650 -4.067 22.913 -1.365 1.00 20.10 H new ATOM 0 HD2 ARG A 650 -3.352 24.044 0.789 1.00 72.35 H new ATOM 0 HD3 ARG A 650 -3.488 25.585 -0.036 1.00 72.35 H new ATOM 0 HE ARG A 650 -5.879 23.832 -0.102 1.00 61.30 H new ATOM 0 HH11 ARG A 650 -4.335 26.773 1.123 1.00 11.44 H new ATOM 0 HH12 ARG A 650 -5.805 27.343 1.920 1.00 11.44 H new ATOM 0 HH21 ARG A 650 -7.724 24.526 1.004 1.00 31.15 H new ATOM 0 HH22 ARG A 650 -7.716 26.076 1.852 1.00 31.15 H new ATOM 1008 N LYS A 651 0.797 21.609 -0.530 1.00 1.25 N ATOM 1009 CA LYS A 651 2.045 21.044 -1.032 1.00 43.22 C ATOM 1010 C LYS A 651 1.939 19.554 -1.101 1.00 30.42 C ATOM 1011 O LYS A 651 0.939 18.984 -0.707 1.00 50.02 O ATOM 1012 CB LYS A 651 3.236 21.396 -0.169 1.00 70.01 C ATOM 1013 CG LYS A 651 3.621 22.838 -0.162 1.00 23.14 C ATOM 1014 CD LYS A 651 4.861 23.011 0.668 1.00 22.11 C ATOM 1015 CE LYS A 651 5.296 24.445 0.755 1.00 43.02 C ATOM 1016 NZ LYS A 651 6.490 24.584 1.609 1.00 61.01 N ATOM 0 H LYS A 651 0.680 21.558 0.482 1.00 1.25 H new ATOM 0 HA LYS A 651 2.203 21.473 -2.022 1.00 43.22 H new ATOM 0 HB2 LYS A 651 3.024 21.090 0.855 1.00 70.01 H new ATOM 0 HB3 LYS A 651 4.092 20.811 -0.506 1.00 70.01 H new ATOM 0 HG2 LYS A 651 3.798 23.185 -1.180 1.00 23.14 H new ATOM 0 HG3 LYS A 651 2.809 23.442 0.244 1.00 23.14 H new ATOM 0 HD2 LYS A 651 4.679 22.628 1.672 1.00 22.11 H new ATOM 0 HD3 LYS A 651 5.667 22.415 0.240 1.00 22.11 H new ATOM 0 HE2 LYS A 651 5.513 24.824 -0.244 1.00 43.02 H new ATOM 0 HE3 LYS A 651 4.484 25.051 1.157 1.00 43.02 H new ATOM 0 HZ1 LYS A 651 6.771 25.584 1.653 1.00 61.01 H new ATOM 0 HZ2 LYS A 651 6.273 24.243 2.567 1.00 61.01 H new ATOM 0 HZ3 LYS A 651 7.269 24.023 1.210 1.00 61.01 H new ATOM 1030 N SER A 652 2.960 18.932 -1.580 1.00 51.14 N ATOM 1031 CA SER A 652 2.998 17.507 -1.659 1.00 72.24 C ATOM 1032 C SER A 652 4.403 17.011 -1.388 1.00 63.10 C ATOM 1033 O SER A 652 5.389 17.677 -1.739 1.00 24.40 O ATOM 1034 CB SER A 652 2.467 17.032 -3.018 1.00 32.42 C ATOM 1035 OG SER A 652 3.135 17.686 -4.087 1.00 24.12 O ATOM 0 H SER A 652 3.798 19.397 -1.930 1.00 51.14 H new ATOM 0 HA SER A 652 2.347 17.083 -0.895 1.00 72.24 H new ATOM 0 HB2 SER A 652 2.601 15.954 -3.107 1.00 32.42 H new ATOM 0 HB3 SER A 652 1.396 17.227 -3.081 1.00 32.42 H new ATOM 0 HG SER A 652 2.804 17.338 -4.941 1.00 24.12 H new ATOM 1041 N TRP A 653 4.504 15.884 -0.748 1.00 53.22 N ATOM 1042 CA TRP A 653 5.787 15.305 -0.402 1.00 43.05 C ATOM 1043 C TRP A 653 5.783 13.874 -0.766 1.00 64.04 C ATOM 1044 O TRP A 653 4.738 13.226 -0.805 1.00 2.21 O ATOM 1045 CB TRP A 653 6.092 15.439 1.096 1.00 23.30 C ATOM 1046 CG TRP A 653 6.129 16.842 1.628 1.00 21.02 C ATOM 1047 CD1 TRP A 653 7.203 17.686 1.671 1.00 24.15 C ATOM 1048 CD2 TRP A 653 5.040 17.546 2.213 1.00 13.35 C ATOM 1049 NE1 TRP A 653 6.841 18.874 2.260 1.00 12.23 N ATOM 1050 CE2 TRP A 653 5.509 18.813 2.596 1.00 70.33 C ATOM 1051 CE3 TRP A 653 3.714 17.222 2.447 1.00 11.34 C ATOM 1052 CZ2 TRP A 653 4.680 19.756 3.205 1.00 61.41 C ATOM 1053 CZ3 TRP A 653 2.894 18.142 3.043 1.00 44.12 C ATOM 1054 CH2 TRP A 653 3.377 19.400 3.421 1.00 74.44 C ATOM 0 H TRP A 653 3.702 15.331 -0.446 1.00 53.22 H new ATOM 0 HA TRP A 653 6.558 15.845 -0.951 1.00 43.05 H new ATOM 0 HB2 TRP A 653 5.341 14.878 1.653 1.00 23.30 H new ATOM 0 HB3 TRP A 653 7.055 14.968 1.296 1.00 23.30 H new ATOM 0 HD1 TRP A 653 8.190 17.454 1.298 1.00 24.15 H new ATOM 0 HE1 TRP A 653 7.459 19.670 2.421 1.00 12.23 H new ATOM 0 HE3 TRP A 653 3.331 16.253 2.162 1.00 11.34 H new ATOM 0 HZ2 TRP A 653 5.052 20.728 3.494 1.00 61.41 H new ATOM 0 HZ3 TRP A 653 1.859 17.893 3.224 1.00 44.12 H new ATOM 0 HH2 TRP A 653 2.707 20.104 3.893 1.00 74.44 H new ATOM 1065 N ASN A 654 6.933 13.390 -1.023 1.00 72.14 N ATOM 1066 CA ASN A 654 7.133 12.053 -1.433 1.00 61.32 C ATOM 1067 C ASN A 654 7.394 11.225 -0.190 1.00 72.23 C ATOM 1068 O ASN A 654 8.276 11.545 0.600 1.00 44.34 O ATOM 1069 CB ASN A 654 8.327 12.072 -2.357 1.00 74.31 C ATOM 1070 CG ASN A 654 8.574 10.831 -3.126 1.00 12.33 C ATOM 1071 OD1 ASN A 654 8.314 9.714 -2.684 1.00 42.52 O ATOM 1072 ND2 ASN A 654 9.050 11.040 -4.314 1.00 55.50 N ATOM 0 H ASN A 654 7.795 13.931 -0.952 1.00 72.14 H new ATOM 0 HA ASN A 654 6.277 11.623 -1.952 1.00 61.32 H new ATOM 0 HB2 ASN A 654 8.202 12.894 -3.062 1.00 74.31 H new ATOM 0 HB3 ASN A 654 9.216 12.292 -1.765 1.00 74.31 H new ATOM 0 HD21 ASN A 654 9.228 10.253 -4.938 1.00 55.50 H new ATOM 0 HD22 ASN A 654 9.246 11.992 -4.625 1.00 55.50 H new ATOM 1078 N LEU A 655 6.616 10.203 0.004 1.00 51.42 N ATOM 1079 CA LEU A 655 6.719 9.375 1.183 1.00 64.12 C ATOM 1080 C LEU A 655 7.481 8.115 0.914 1.00 73.04 C ATOM 1081 O LEU A 655 7.593 7.249 1.787 1.00 21.53 O ATOM 1082 CB LEU A 655 5.352 9.012 1.744 1.00 3.35 C ATOM 1083 CG LEU A 655 4.496 10.108 2.336 1.00 63.14 C ATOM 1084 CD1 LEU A 655 4.028 11.035 1.313 1.00 21.34 C ATOM 1085 CD2 LEU A 655 3.346 9.541 3.131 1.00 32.32 C ATOM 0 H LEU A 655 5.888 9.913 -0.649 1.00 51.42 H new ATOM 0 HA LEU A 655 7.260 9.970 1.919 1.00 64.12 H new ATOM 0 HB2 LEU A 655 4.780 8.542 0.944 1.00 3.35 H new ATOM 0 HB3 LEU A 655 5.501 8.256 2.515 1.00 3.35 H new ATOM 0 HG LEU A 655 5.124 10.673 3.024 1.00 63.14 H new ATOM 0 HD11 LEU A 655 3.416 11.809 1.776 1.00 21.34 H new ATOM 0 HD12 LEU A 655 4.884 11.496 0.820 1.00 21.34 H new ATOM 0 HD13 LEU A 655 3.433 10.494 0.577 1.00 21.34 H new ATOM 0 HD21 LEU A 655 2.751 10.356 3.542 1.00 32.32 H new ATOM 0 HD22 LEU A 655 2.721 8.928 2.481 1.00 32.32 H new ATOM 0 HD23 LEU A 655 3.733 8.928 3.945 1.00 32.32 H new ATOM 1093 N GLY A 656 7.983 7.996 -0.262 1.00 42.23 N ATOM 1094 CA GLY A 656 8.737 6.860 -0.594 1.00 14.25 C ATOM 1095 C GLY A 656 8.703 6.597 -2.052 1.00 33.32 C ATOM 1096 O GLY A 656 7.636 6.684 -2.701 1.00 21.34 O ATOM 0 H GLY A 656 7.880 8.681 -1.010 1.00 42.23 H new ATOM 0 HA2 GLY A 656 9.769 6.999 -0.272 1.00 14.25 H new ATOM 0 HA3 GLY A 656 8.349 5.994 -0.057 1.00 14.25 H new ATOM 1100 N ARG A 657 9.832 6.280 -2.583 1.00 0.44 N ATOM 1101 CA ARG A 657 9.953 6.018 -3.961 1.00 41.34 C ATOM 1102 C ARG A 657 9.518 4.584 -4.178 1.00 43.34 C ATOM 1103 O ARG A 657 9.682 3.750 -3.279 1.00 32.41 O ATOM 1104 CB ARG A 657 11.392 6.233 -4.413 1.00 0.22 C ATOM 1105 CG ARG A 657 11.540 6.277 -5.907 1.00 63.32 C ATOM 1106 CD ARG A 657 12.967 6.507 -6.331 1.00 14.03 C ATOM 1107 NE ARG A 657 13.032 6.745 -7.762 1.00 61.13 N ATOM 1108 CZ ARG A 657 14.034 6.423 -8.564 1.00 63.14 C ATOM 1109 NH1 ARG A 657 15.116 5.811 -8.089 1.00 33.24 N ATOM 1110 NH2 ARG A 657 13.938 6.701 -9.851 1.00 2.53 N ATOM 0 H ARG A 657 10.704 6.196 -2.060 1.00 0.44 H new ATOM 0 HA ARG A 657 9.331 6.693 -4.548 1.00 41.34 H new ATOM 0 HB2 ARG A 657 11.764 7.166 -3.989 1.00 0.22 H new ATOM 0 HB3 ARG A 657 12.015 5.432 -4.016 1.00 0.22 H new ATOM 0 HG2 ARG A 657 11.183 5.340 -6.334 1.00 63.32 H new ATOM 0 HG3 ARG A 657 10.911 7.071 -6.310 1.00 63.32 H new ATOM 0 HD2 ARG A 657 13.381 7.360 -5.794 1.00 14.03 H new ATOM 0 HD3 ARG A 657 13.576 5.641 -6.071 1.00 14.03 H new ATOM 0 HE ARG A 657 12.228 7.204 -8.190 1.00 61.13 H new ATOM 0 HH11 ARG A 657 15.180 5.585 -7.096 1.00 33.24 H new ATOM 0 HH12 ARG A 657 15.882 5.568 -8.718 1.00 33.24 H new ATOM 0 HH21 ARG A 657 13.101 7.157 -10.213 1.00 2.53 H new ATOM 0 HH22 ARG A 657 14.701 6.460 -10.483 1.00 2.53 H new ATOM 1122 N SER A 658 8.946 4.313 -5.320 1.00 24.01 N ATOM 1123 CA SER A 658 8.410 3.017 -5.629 1.00 10.03 C ATOM 1124 C SER A 658 9.423 1.872 -5.447 1.00 25.24 C ATOM 1125 O SER A 658 10.576 1.938 -5.897 1.00 23.34 O ATOM 1126 CB SER A 658 7.867 3.035 -7.039 1.00 52.05 C ATOM 1127 OG SER A 658 6.881 4.033 -7.172 1.00 25.23 O ATOM 0 H SER A 658 8.838 4.995 -6.071 1.00 24.01 H new ATOM 0 HA SER A 658 7.611 2.814 -4.916 1.00 10.03 H new ATOM 0 HB2 SER A 658 8.677 3.218 -7.745 1.00 52.05 H new ATOM 0 HB3 SER A 658 7.444 2.061 -7.285 1.00 52.05 H new ATOM 0 HG SER A 658 7.309 4.889 -7.383 1.00 25.23 H new ATOM 1133 N ASN A 659 8.976 0.866 -4.745 1.00 23.43 N ATOM 1134 CA ASN A 659 9.689 -0.362 -4.539 1.00 11.44 C ATOM 1135 C ASN A 659 8.630 -1.430 -4.478 1.00 62.03 C ATOM 1136 O ASN A 659 7.455 -1.124 -4.686 1.00 70.25 O ATOM 1137 CB ASN A 659 10.560 -0.347 -3.229 1.00 13.42 C ATOM 1138 CG ASN A 659 9.800 -0.420 -1.890 1.00 11.31 C ATOM 1139 OD1 ASN A 659 8.756 -1.027 -1.759 1.00 33.23 O ATOM 1140 ND2 ASN A 659 10.334 0.182 -0.893 1.00 61.12 N ATOM 0 H ASN A 659 8.067 0.882 -4.282 1.00 23.43 H new ATOM 0 HA ASN A 659 10.403 -0.534 -5.344 1.00 11.44 H new ATOM 0 HB2 ASN A 659 11.254 -1.187 -3.272 1.00 13.42 H new ATOM 0 HB3 ASN A 659 11.160 0.563 -3.230 1.00 13.42 H new ATOM 0 HD21 ASN A 659 9.882 0.154 0.021 1.00 61.12 H new ATOM 0 HD22 ASN A 659 11.211 0.689 -1.013 1.00 61.12 H new ATOM 1146 N ALA A 660 8.999 -2.640 -4.258 1.00 54.14 N ATOM 1147 CA ALA A 660 8.017 -3.679 -4.100 1.00 41.34 C ATOM 1148 C ALA A 660 8.311 -4.501 -2.848 1.00 72.14 C ATOM 1149 O ALA A 660 8.063 -5.706 -2.819 1.00 42.24 O ATOM 1150 CB ALA A 660 7.993 -4.537 -5.343 1.00 75.25 C ATOM 0 H ALA A 660 9.969 -2.946 -4.181 1.00 54.14 H new ATOM 0 HA ALA A 660 7.029 -3.237 -3.971 1.00 41.34 H new ATOM 0 HB1 ALA A 660 7.250 -5.326 -5.226 1.00 75.25 H new ATOM 0 HB2 ALA A 660 7.737 -3.921 -6.205 1.00 75.25 H new ATOM 0 HB3 ALA A 660 8.975 -4.984 -5.496 1.00 75.25 H new ATOM 1156 N LYS A 661 8.806 -3.838 -1.806 1.00 2.24 N ATOM 1157 CA LYS A 661 9.176 -4.507 -0.562 1.00 72.53 C ATOM 1158 C LYS A 661 7.996 -4.763 0.364 1.00 31.12 C ATOM 1159 O LYS A 661 7.457 -3.838 0.990 1.00 35.01 O ATOM 1160 CB LYS A 661 10.243 -3.728 0.187 1.00 72.41 C ATOM 1161 CG LYS A 661 11.573 -3.655 -0.527 1.00 43.45 C ATOM 1162 CD LYS A 661 12.567 -2.815 0.251 1.00 63.14 C ATOM 1163 CE LYS A 661 12.880 -3.390 1.650 1.00 12.35 C ATOM 1164 NZ LYS A 661 13.511 -4.737 1.591 1.00 63.02 N ATOM 0 H LYS A 661 8.961 -2.830 -1.799 1.00 2.24 H new ATOM 0 HA LYS A 661 9.570 -5.477 -0.864 1.00 72.53 H new ATOM 0 HB2 LYS A 661 9.881 -2.715 0.362 1.00 72.41 H new ATOM 0 HB3 LYS A 661 10.393 -4.187 1.164 1.00 72.41 H new ATOM 0 HG2 LYS A 661 11.971 -4.660 -0.664 1.00 43.45 H new ATOM 0 HG3 LYS A 661 11.433 -3.230 -1.521 1.00 43.45 H new ATOM 0 HD2 LYS A 661 13.493 -2.737 -0.319 1.00 63.14 H new ATOM 0 HD3 LYS A 661 12.174 -1.804 0.360 1.00 63.14 H new ATOM 0 HE2 LYS A 661 13.543 -2.706 2.179 1.00 12.35 H new ATOM 0 HE3 LYS A 661 11.958 -3.451 2.228 1.00 12.35 H new ATOM 0 HZ1 LYS A 661 13.822 -5.017 2.543 1.00 63.02 H new ATOM 0 HZ2 LYS A 661 12.820 -5.429 1.236 1.00 63.02 H new ATOM 0 HZ3 LYS A 661 14.332 -4.708 0.953 1.00 63.02 H new ATOM 1178 N LEU A 662 7.617 -6.006 0.442 1.00 55.31 N ATOM 1179 CA LEU A 662 6.587 -6.470 1.349 1.00 63.13 C ATOM 1180 C LEU A 662 7.274 -7.063 2.566 1.00 31.12 C ATOM 1181 O LEU A 662 8.407 -7.499 2.485 1.00 31.34 O ATOM 1182 CB LEU A 662 5.689 -7.552 0.688 1.00 70.22 C ATOM 1183 CG LEU A 662 4.639 -7.121 -0.369 1.00 42.41 C ATOM 1184 CD1 LEU A 662 3.563 -6.276 0.251 1.00 45.43 C ATOM 1185 CD2 LEU A 662 5.261 -6.391 -1.531 1.00 1.13 C ATOM 0 H LEU A 662 8.019 -6.747 -0.132 1.00 55.31 H new ATOM 0 HA LEU A 662 5.947 -5.631 1.622 1.00 63.13 H new ATOM 0 HB2 LEU A 662 6.347 -8.282 0.218 1.00 70.22 H new ATOM 0 HB3 LEU A 662 5.157 -8.070 1.486 1.00 70.22 H new ATOM 0 HG LEU A 662 4.194 -8.038 -0.754 1.00 42.41 H new ATOM 0 HD11 LEU A 662 2.841 -5.988 -0.513 1.00 45.43 H new ATOM 0 HD12 LEU A 662 3.058 -6.845 1.032 1.00 45.43 H new ATOM 0 HD13 LEU A 662 4.008 -5.381 0.685 1.00 45.43 H new ATOM 0 HD21 LEU A 662 4.484 -6.111 -2.243 1.00 1.13 H new ATOM 0 HD22 LEU A 662 5.763 -5.493 -1.170 1.00 1.13 H new ATOM 0 HD23 LEU A 662 5.986 -7.040 -2.022 1.00 1.13 H new ATOM 1193 N SER A 663 6.647 -7.042 3.678 1.00 23.33 N ATOM 1194 CA SER A 663 7.235 -7.615 4.864 1.00 51.50 C ATOM 1195 C SER A 663 6.160 -8.280 5.704 1.00 1.34 C ATOM 1196 O SER A 663 5.002 -8.222 5.355 1.00 44.15 O ATOM 1197 CB SER A 663 7.982 -6.535 5.657 1.00 34.31 C ATOM 1198 OG SER A 663 8.974 -5.911 4.845 1.00 42.45 O ATOM 0 H SER A 663 5.721 -6.636 3.811 1.00 23.33 H new ATOM 0 HA SER A 663 7.959 -8.378 4.578 1.00 51.50 H new ATOM 0 HB2 SER A 663 7.276 -5.787 6.017 1.00 34.31 H new ATOM 0 HB3 SER A 663 8.450 -6.980 6.535 1.00 34.31 H new ATOM 0 HG SER A 663 9.439 -5.224 5.367 1.00 42.45 H new ATOM 1204 N TYR A 664 6.544 -8.959 6.741 1.00 74.43 N ATOM 1205 CA TYR A 664 5.596 -9.531 7.651 1.00 5.24 C ATOM 1206 C TYR A 664 6.050 -9.220 9.049 1.00 32.23 C ATOM 1207 O TYR A 664 7.183 -9.506 9.398 1.00 53.21 O ATOM 1208 CB TYR A 664 5.503 -11.037 7.449 1.00 11.33 C ATOM 1209 CG TYR A 664 4.272 -11.706 8.066 1.00 0.34 C ATOM 1210 CD1 TYR A 664 3.042 -11.588 7.445 1.00 31.11 C ATOM 1211 CD2 TYR A 664 4.343 -12.499 9.214 1.00 22.04 C ATOM 1212 CE1 TYR A 664 1.923 -12.228 7.923 1.00 53.11 C ATOM 1213 CE2 TYR A 664 3.223 -13.133 9.704 1.00 74.44 C ATOM 1214 CZ TYR A 664 2.022 -13.001 9.054 1.00 31.12 C ATOM 1215 OH TYR A 664 0.914 -13.657 9.540 1.00 72.44 O ATOM 0 H TYR A 664 7.520 -9.133 6.981 1.00 74.43 H new ATOM 0 HA TYR A 664 4.606 -9.111 7.472 1.00 5.24 H new ATOM 0 HB2 TYR A 664 5.511 -11.244 6.379 1.00 11.33 H new ATOM 0 HB3 TYR A 664 6.396 -11.499 7.870 1.00 11.33 H new ATOM 0 HD1 TYR A 664 2.958 -10.976 6.559 1.00 31.11 H new ATOM 0 HD2 TYR A 664 5.288 -12.616 9.724 1.00 22.04 H new ATOM 0 HE1 TYR A 664 0.976 -12.124 7.414 1.00 53.11 H new ATOM 0 HE2 TYR A 664 3.290 -13.734 10.599 1.00 74.44 H new ATOM 0 HH TYR A 664 1.193 -14.480 9.992 1.00 72.44 H new ATOM 1225 N TYR A 665 5.204 -8.608 9.804 1.00 52.15 N ATOM 1226 CA TYR A 665 5.474 -8.297 11.186 1.00 63.54 C ATOM 1227 C TYR A 665 4.658 -9.297 12.003 1.00 14.04 C ATOM 1228 O TYR A 665 4.394 -10.386 11.513 1.00 73.12 O ATOM 1229 CB TYR A 665 5.049 -6.831 11.458 1.00 40.43 C ATOM 1230 CG TYR A 665 5.417 -6.285 12.829 1.00 0.54 C ATOM 1231 CD1 TYR A 665 6.738 -6.245 13.249 1.00 22.32 C ATOM 1232 CD2 TYR A 665 4.437 -5.830 13.704 1.00 24.14 C ATOM 1233 CE1 TYR A 665 7.072 -5.764 14.495 1.00 2.14 C ATOM 1234 CE2 TYR A 665 4.763 -5.348 14.951 1.00 24.31 C ATOM 1235 CZ TYR A 665 6.079 -5.316 15.342 1.00 70.24 C ATOM 1236 OH TYR A 665 6.411 -4.835 16.591 1.00 4.53 O ATOM 0 H TYR A 665 4.286 -8.300 9.483 1.00 52.15 H new ATOM 0 HA TYR A 665 6.529 -8.377 11.449 1.00 63.54 H new ATOM 0 HB2 TYR A 665 5.502 -6.193 10.699 1.00 40.43 H new ATOM 0 HB3 TYR A 665 3.969 -6.756 11.334 1.00 40.43 H new ATOM 0 HD1 TYR A 665 7.517 -6.597 12.588 1.00 22.32 H new ATOM 0 HD2 TYR A 665 3.401 -5.855 13.399 1.00 24.14 H new ATOM 0 HE1 TYR A 665 8.105 -5.737 14.808 1.00 2.14 H new ATOM 0 HE2 TYR A 665 3.989 -4.997 15.618 1.00 24.31 H new ATOM 0 HH TYR A 665 5.597 -4.559 17.062 1.00 4.53 H new ATOM 1246 N ASP A 666 4.281 -8.945 13.222 1.00 24.34 N ATOM 1247 CA ASP A 666 3.461 -9.791 14.084 1.00 1.22 C ATOM 1248 C ASP A 666 2.130 -10.128 13.413 1.00 44.54 C ATOM 1249 O ASP A 666 1.159 -9.376 13.506 1.00 12.01 O ATOM 1250 CB ASP A 666 3.226 -9.110 15.441 1.00 32.23 C ATOM 1251 CG ASP A 666 2.363 -9.927 16.377 1.00 43.53 C ATOM 1252 OD1 ASP A 666 2.891 -10.842 17.032 1.00 25.03 O ATOM 1253 OD2 ASP A 666 1.147 -9.652 16.487 1.00 51.34 O ATOM 0 H ASP A 666 4.537 -8.054 13.648 1.00 24.34 H new ATOM 0 HA ASP A 666 3.998 -10.724 14.254 1.00 1.22 H new ATOM 0 HB2 ASP A 666 4.188 -8.921 15.917 1.00 32.23 H new ATOM 0 HB3 ASP A 666 2.756 -8.141 15.277 1.00 32.23 H new ATOM 1258 N GLY A 667 2.154 -11.217 12.655 1.00 61.30 N ATOM 1259 CA GLY A 667 1.002 -11.739 11.942 1.00 51.14 C ATOM 1260 C GLY A 667 0.308 -10.735 11.031 1.00 24.43 C ATOM 1261 O GLY A 667 -0.912 -10.794 10.831 1.00 11.20 O ATOM 0 H GLY A 667 2.998 -11.773 12.518 1.00 61.30 H new ATOM 0 HA2 GLY A 667 1.319 -12.593 11.344 1.00 51.14 H new ATOM 0 HA3 GLY A 667 0.279 -12.109 12.669 1.00 51.14 H new ATOM 1265 N MET A 668 1.080 -9.830 10.471 1.00 54.52 N ATOM 1266 CA MET A 668 0.559 -8.795 9.594 1.00 11.01 C ATOM 1267 C MET A 668 1.541 -8.535 8.480 1.00 10.42 C ATOM 1268 O MET A 668 2.730 -8.371 8.736 1.00 3.31 O ATOM 1269 CB MET A 668 0.334 -7.483 10.370 1.00 64.43 C ATOM 1270 CG MET A 668 -0.708 -7.557 11.481 1.00 4.12 C ATOM 1271 SD MET A 668 -0.873 -6.008 12.403 1.00 12.25 S ATOM 1272 CE MET A 668 0.776 -5.824 13.088 1.00 22.11 C ATOM 0 H MET A 668 2.090 -9.788 10.609 1.00 54.52 H new ATOM 0 HA MET A 668 -0.393 -9.138 9.188 1.00 11.01 H new ATOM 0 HB2 MET A 668 1.283 -7.169 10.804 1.00 64.43 H new ATOM 0 HB3 MET A 668 0.035 -6.709 9.664 1.00 64.43 H new ATOM 0 HG2 MET A 668 -1.673 -7.820 11.049 1.00 4.12 H new ATOM 0 HG3 MET A 668 -0.439 -8.357 12.171 1.00 4.12 H new ATOM 0 HE1 MET A 668 0.743 -5.144 13.939 1.00 22.11 H new ATOM 0 HE2 MET A 668 1.145 -6.796 13.414 1.00 22.11 H new ATOM 0 HE3 MET A 668 1.443 -5.420 12.327 1.00 22.11 H new ATOM 1282 N ILE A 669 1.061 -8.515 7.263 1.00 32.23 N ATOM 1283 CA ILE A 669 1.901 -8.210 6.116 1.00 34.44 C ATOM 1284 C ILE A 669 2.131 -6.714 6.076 1.00 50.42 C ATOM 1285 O ILE A 669 1.267 -5.952 6.421 1.00 3.12 O ATOM 1286 CB ILE A 669 1.298 -8.712 4.760 1.00 10.52 C ATOM 1287 CG1 ILE A 669 1.203 -10.221 4.767 1.00 14.43 C ATOM 1288 CG2 ILE A 669 2.173 -8.274 3.580 1.00 51.41 C ATOM 1289 CD1 ILE A 669 0.550 -10.825 3.537 1.00 21.40 C ATOM 0 H ILE A 669 0.086 -8.707 7.032 1.00 32.23 H new ATOM 0 HA ILE A 669 2.844 -8.743 6.236 1.00 34.44 H new ATOM 0 HB ILE A 669 0.305 -8.276 4.648 1.00 10.52 H new ATOM 0 HG12 ILE A 669 2.207 -10.633 4.867 1.00 14.43 H new ATOM 0 HG13 ILE A 669 0.641 -10.531 5.648 1.00 14.43 H new ATOM 0 HG21 ILE A 669 1.735 -8.634 2.649 1.00 51.41 H new ATOM 0 HG22 ILE A 669 2.233 -7.186 3.556 1.00 51.41 H new ATOM 0 HG23 ILE A 669 3.174 -8.690 3.695 1.00 51.41 H new ATOM 0 HD11 ILE A 669 0.527 -11.911 3.633 1.00 21.40 H new ATOM 0 HD12 ILE A 669 -0.468 -10.447 3.443 1.00 21.40 H new ATOM 0 HD13 ILE A 669 1.122 -10.551 2.650 1.00 21.40 H new ATOM 1296 N GLN A 670 3.292 -6.317 5.736 1.00 71.13 N ATOM 1297 CA GLN A 670 3.617 -4.927 5.664 1.00 23.42 C ATOM 1298 C GLN A 670 4.113 -4.587 4.267 1.00 23.41 C ATOM 1299 O GLN A 670 4.386 -5.473 3.467 1.00 25.11 O ATOM 1300 CB GLN A 670 4.713 -4.584 6.657 1.00 31.23 C ATOM 1301 CG GLN A 670 4.483 -5.104 8.051 1.00 52.22 C ATOM 1302 CD GLN A 670 5.542 -4.633 8.992 1.00 42.11 C ATOM 1303 OE1 GLN A 670 6.587 -5.255 9.139 1.00 33.34 O ATOM 1304 NE2 GLN A 670 5.263 -3.568 9.673 1.00 22.14 N ATOM 0 H GLN A 670 4.060 -6.943 5.495 1.00 71.13 H new ATOM 0 HA GLN A 670 2.719 -4.355 5.898 1.00 23.42 H new ATOM 0 HB2 GLN A 670 5.658 -4.982 6.287 1.00 31.23 H new ATOM 0 HB3 GLN A 670 4.819 -3.500 6.701 1.00 31.23 H new ATOM 0 HG2 GLN A 670 3.506 -4.775 8.407 1.00 52.22 H new ATOM 0 HG3 GLN A 670 4.467 -6.194 8.036 1.00 52.22 H new ATOM 0 HE21 GLN A 670 4.380 -3.081 9.519 1.00 22.14 H new ATOM 0 HE22 GLN A 670 5.926 -3.216 10.364 1.00 22.14 H new ATOM 1312 N LEU A 671 4.228 -3.324 4.009 1.00 43.42 N ATOM 1313 CA LEU A 671 4.744 -2.771 2.763 1.00 54.11 C ATOM 1314 C LEU A 671 5.535 -1.578 3.198 1.00 61.51 C ATOM 1315 O LEU A 671 5.079 -0.857 4.093 1.00 31.23 O ATOM 1316 CB LEU A 671 3.573 -2.319 1.871 1.00 54.21 C ATOM 1317 CG LEU A 671 3.901 -1.686 0.501 1.00 44.02 C ATOM 1318 CD1 LEU A 671 4.560 -2.676 -0.446 1.00 41.44 C ATOM 1319 CD2 LEU A 671 2.646 -1.123 -0.128 1.00 53.45 C ATOM 0 H LEU A 671 3.958 -2.605 4.680 1.00 43.42 H new ATOM 0 HA LEU A 671 5.334 -3.488 2.192 1.00 54.11 H new ATOM 0 HB2 LEU A 671 2.936 -3.186 1.693 1.00 54.21 H new ATOM 0 HB3 LEU A 671 2.982 -1.599 2.437 1.00 54.21 H new ATOM 0 HG LEU A 671 4.613 -0.880 0.678 1.00 44.02 H new ATOM 0 HD11 LEU A 671 4.772 -2.185 -1.396 1.00 41.44 H new ATOM 0 HD12 LEU A 671 5.491 -3.034 -0.007 1.00 41.44 H new ATOM 0 HD13 LEU A 671 3.890 -3.519 -0.615 1.00 41.44 H new ATOM 0 HD21 LEU A 671 2.890 -0.680 -1.093 1.00 53.45 H new ATOM 0 HD22 LEU A 671 1.920 -1.923 -0.270 1.00 53.45 H new ATOM 0 HD23 LEU A 671 2.222 -0.360 0.525 1.00 53.45 H new ATOM 1327 N THR A 672 6.692 -1.352 2.660 1.00 75.02 N ATOM 1328 CA THR A 672 7.473 -0.261 3.157 1.00 45.22 C ATOM 1329 C THR A 672 8.175 0.449 2.044 1.00 41.31 C ATOM 1330 O THR A 672 9.024 -0.122 1.386 1.00 53.25 O ATOM 1331 CB THR A 672 8.516 -0.748 4.191 1.00 22.15 C ATOM 1332 OG1 THR A 672 7.855 -1.534 5.200 1.00 22.42 O ATOM 1333 CG2 THR A 672 9.199 0.442 4.864 1.00 23.53 C ATOM 0 H THR A 672 7.109 -1.889 1.899 1.00 75.02 H new ATOM 0 HA THR A 672 6.786 0.431 3.644 1.00 45.22 H new ATOM 0 HB THR A 672 9.266 -1.346 3.674 1.00 22.15 H new ATOM 0 HG1 THR A 672 8.513 -1.845 5.856 1.00 22.42 H new ATOM 0 HG21 THR A 672 9.929 0.081 5.588 1.00 23.53 H new ATOM 0 HG22 THR A 672 9.704 1.046 4.110 1.00 23.53 H new ATOM 0 HG23 THR A 672 8.452 1.049 5.375 1.00 23.53 H new ATOM 1339 N TYR A 673 7.828 1.684 1.846 1.00 55.53 N ATOM 1340 CA TYR A 673 8.494 2.506 0.863 1.00 20.40 C ATOM 1341 C TYR A 673 9.481 3.388 1.549 1.00 14.31 C ATOM 1342 O TYR A 673 9.220 3.858 2.639 1.00 71.24 O ATOM 1343 CB TYR A 673 7.528 3.383 0.069 1.00 75.02 C ATOM 1344 CG TYR A 673 6.626 2.650 -0.868 1.00 5.04 C ATOM 1345 CD1 TYR A 673 7.150 1.807 -1.821 1.00 23.41 C ATOM 1346 CD2 TYR A 673 5.255 2.815 -0.822 1.00 13.43 C ATOM 1347 CE1 TYR A 673 6.347 1.140 -2.702 1.00 33.21 C ATOM 1348 CE2 TYR A 673 4.438 2.154 -1.710 1.00 73.10 C ATOM 1349 CZ TYR A 673 5.000 1.313 -2.655 1.00 31.05 C ATOM 1350 OH TYR A 673 4.212 0.654 -3.554 1.00 22.51 O ATOM 0 H TYR A 673 7.080 2.155 2.355 1.00 55.53 H new ATOM 0 HA TYR A 673 8.982 1.831 0.160 1.00 20.40 H new ATOM 0 HB2 TYR A 673 6.914 3.948 0.771 1.00 75.02 H new ATOM 0 HB3 TYR A 673 8.107 4.108 -0.503 1.00 75.02 H new ATOM 0 HD1 TYR A 673 8.220 1.670 -1.874 1.00 23.41 H new ATOM 0 HD2 TYR A 673 4.820 3.470 -0.081 1.00 13.43 H new ATOM 0 HE1 TYR A 673 6.782 0.476 -3.435 1.00 33.21 H new ATOM 0 HE2 TYR A 673 3.367 2.290 -1.670 1.00 73.10 H new ATOM 0 HH TYR A 673 3.307 0.561 -3.190 1.00 22.51 H new ATOM 1360 N ARG A 674 10.607 3.585 0.932 1.00 43.00 N ATOM 1361 CA ARG A 674 11.648 4.449 1.443 1.00 71.40 C ATOM 1362 C ARG A 674 12.098 5.359 0.311 1.00 15.41 C ATOM 1363 O ARG A 674 11.566 5.253 -0.794 1.00 62.43 O ATOM 1364 CB ARG A 674 12.843 3.625 1.987 1.00 40.44 C ATOM 1365 CG ARG A 674 12.522 2.734 3.192 1.00 32.44 C ATOM 1366 CD ARG A 674 13.765 1.989 3.668 1.00 75.01 C ATOM 1367 NE ARG A 674 13.518 1.139 4.859 1.00 24.33 N ATOM 1368 CZ ARG A 674 14.489 0.528 5.578 1.00 44.11 C ATOM 1369 NH1 ARG A 674 15.754 0.609 5.185 1.00 12.13 N ATOM 1370 NH2 ARG A 674 14.180 -0.183 6.666 1.00 11.21 N ATOM 0 H ARG A 674 10.840 3.145 0.042 1.00 43.00 H new ATOM 0 HA ARG A 674 11.262 5.039 2.274 1.00 71.40 H new ATOM 0 HB2 ARG A 674 13.228 2.998 1.183 1.00 40.44 H new ATOM 0 HB3 ARG A 674 13.642 4.312 2.265 1.00 40.44 H new ATOM 0 HG2 ARG A 674 12.126 3.344 4.004 1.00 32.44 H new ATOM 0 HG3 ARG A 674 11.745 2.018 2.923 1.00 32.44 H new ATOM 0 HD2 ARG A 674 14.140 1.365 2.856 1.00 75.01 H new ATOM 0 HD3 ARG A 674 14.547 2.712 3.902 1.00 75.01 H new ATOM 0 HE ARG A 674 12.551 1.006 5.156 1.00 24.33 H new ATOM 0 HH11 ARG A 674 15.994 1.131 4.342 1.00 12.13 H new ATOM 0 HH12 ARG A 674 16.486 0.149 5.726 1.00 12.13 H new ATOM 0 HH21 ARG A 674 13.207 -0.268 6.960 1.00 11.21 H new ATOM 0 HH22 ARG A 674 14.917 -0.640 7.203 1.00 11.21 H new ATOM 1382 N ASP A 675 13.051 6.246 0.584 1.00 45.00 N ATOM 1383 CA ASP A 675 13.627 7.181 -0.425 1.00 12.42 C ATOM 1384 C ASP A 675 12.696 8.333 -0.760 1.00 25.14 C ATOM 1385 O ASP A 675 12.789 8.909 -1.836 1.00 13.34 O ATOM 1386 CB ASP A 675 14.052 6.478 -1.740 1.00 25.31 C ATOM 1387 CG ASP A 675 15.144 5.470 -1.570 1.00 10.32 C ATOM 1388 OD1 ASP A 675 16.241 5.844 -1.093 1.00 61.01 O ATOM 1389 OD2 ASP A 675 14.956 4.309 -1.956 1.00 65.34 O ATOM 0 H ASP A 675 13.460 6.351 1.513 1.00 45.00 H new ATOM 0 HA ASP A 675 14.520 7.577 0.058 1.00 12.42 H new ATOM 0 HB2 ASP A 675 13.182 5.985 -2.173 1.00 25.31 H new ATOM 0 HB3 ASP A 675 14.378 7.234 -2.454 1.00 25.31 H new ATOM 1394 N GLY A 676 11.822 8.684 0.150 1.00 60.44 N ATOM 1395 CA GLY A 676 10.945 9.818 -0.080 1.00 3.11 C ATOM 1396 C GLY A 676 11.645 11.171 0.125 1.00 35.32 C ATOM 1397 O GLY A 676 12.876 11.278 0.035 1.00 63.11 O ATOM 0 H GLY A 676 11.695 8.213 1.046 1.00 60.44 H new ATOM 0 HA2 GLY A 676 10.554 9.768 -1.096 1.00 3.11 H new ATOM 0 HA3 GLY A 676 10.091 9.752 0.593 1.00 3.11 H new ATOM 1401 N THR A 677 10.868 12.177 0.416 1.00 31.21 N ATOM 1402 CA THR A 677 11.362 13.519 0.611 1.00 2.23 C ATOM 1403 C THR A 677 11.812 13.717 2.061 1.00 53.31 C ATOM 1404 O THR A 677 11.090 13.350 2.996 1.00 62.12 O ATOM 1405 CB THR A 677 10.251 14.555 0.280 1.00 45.13 C ATOM 1406 OG1 THR A 677 9.788 14.355 -1.059 1.00 51.13 O ATOM 1407 CG2 THR A 677 10.749 15.993 0.425 1.00 44.22 C ATOM 0 H THR A 677 9.858 12.090 0.527 1.00 31.21 H new ATOM 0 HA THR A 677 12.211 13.668 -0.056 1.00 2.23 H new ATOM 0 HB THR A 677 9.439 14.403 0.991 1.00 45.13 H new ATOM 0 HG1 THR A 677 9.342 15.168 -1.376 1.00 51.13 H new ATOM 0 HG21 THR A 677 9.941 16.684 0.184 1.00 44.22 H new ATOM 0 HG22 THR A 677 11.078 16.162 1.450 1.00 44.22 H new ATOM 0 HG23 THR A 677 11.584 16.159 -0.256 1.00 44.22 H new ATOM 1413 N PRO A 678 13.016 14.246 2.265 1.00 55.23 N ATOM 1414 CA PRO A 678 13.492 14.579 3.585 1.00 4.45 C ATOM 1415 C PRO A 678 12.960 15.938 4.047 1.00 63.40 C ATOM 1416 O PRO A 678 13.041 16.937 3.321 1.00 52.02 O ATOM 1417 CB PRO A 678 15.009 14.616 3.417 1.00 21.05 C ATOM 1418 CG PRO A 678 15.232 15.002 1.994 1.00 33.14 C ATOM 1419 CD PRO A 678 14.025 14.537 1.219 1.00 43.43 C ATOM 0 HA PRO A 678 13.162 13.867 4.341 1.00 4.45 H new ATOM 0 HB2 PRO A 678 15.464 15.336 4.097 1.00 21.05 H new ATOM 0 HB3 PRO A 678 15.454 13.646 3.637 1.00 21.05 H new ATOM 0 HG2 PRO A 678 15.358 16.081 1.902 1.00 33.14 H new ATOM 0 HG3 PRO A 678 16.141 14.541 1.607 1.00 33.14 H new ATOM 0 HD2 PRO A 678 13.674 15.304 0.529 1.00 43.43 H new ATOM 0 HD3 PRO A 678 14.250 13.652 0.624 1.00 43.43 H new ATOM 1427 N TYR A 679 12.399 15.972 5.231 1.00 74.13 N ATOM 1428 CA TYR A 679 11.902 17.217 5.795 1.00 21.01 C ATOM 1429 C TYR A 679 12.991 17.804 6.672 1.00 63.51 C ATOM 1430 O TYR A 679 14.081 17.222 6.784 1.00 72.13 O ATOM 1431 CB TYR A 679 10.673 16.981 6.678 1.00 13.24 C ATOM 1432 CG TYR A 679 9.557 16.196 6.053 1.00 62.35 C ATOM 1433 CD1 TYR A 679 8.603 16.807 5.258 1.00 70.42 C ATOM 1434 CD2 TYR A 679 9.446 14.835 6.279 1.00 21.02 C ATOM 1435 CE1 TYR A 679 7.574 16.079 4.706 1.00 43.45 C ATOM 1436 CE2 TYR A 679 8.420 14.112 5.734 1.00 51.21 C ATOM 1437 CZ TYR A 679 7.489 14.730 4.952 1.00 31.53 C ATOM 1438 OH TYR A 679 6.469 13.994 4.412 1.00 21.14 O ATOM 0 H TYR A 679 12.272 15.155 5.828 1.00 74.13 H new ATOM 0 HA TYR A 679 11.627 17.882 4.976 1.00 21.01 H new ATOM 0 HB2 TYR A 679 10.993 16.463 7.582 1.00 13.24 H new ATOM 0 HB3 TYR A 679 10.281 17.950 6.988 1.00 13.24 H new ATOM 0 HD1 TYR A 679 8.667 17.868 5.069 1.00 70.42 H new ATOM 0 HD2 TYR A 679 10.180 14.336 6.895 1.00 21.02 H new ATOM 0 HE1 TYR A 679 6.838 16.565 4.083 1.00 43.45 H new ATOM 0 HE2 TYR A 679 8.347 13.051 5.923 1.00 51.21 H new ATOM 0 HH TYR A 679 6.837 13.200 3.970 1.00 21.14 H new ATOM 1448 N ASN A 680 12.708 18.928 7.299 1.00 14.52 N ATOM 1449 CA ASN A 680 13.638 19.508 8.259 1.00 23.02 C ATOM 1450 C ASN A 680 13.642 18.649 9.501 1.00 3.24 C ATOM 1451 O ASN A 680 12.702 18.675 10.301 1.00 31.20 O ATOM 1452 CB ASN A 680 13.295 20.968 8.593 1.00 1.32 C ATOM 1453 CG ASN A 680 13.462 21.902 7.406 1.00 11.24 C ATOM 1454 OD1 ASN A 680 14.536 22.445 7.178 1.00 23.44 O ATOM 1455 ND2 ASN A 680 12.413 22.107 6.652 1.00 20.25 N ATOM 0 H ASN A 680 11.847 19.459 7.165 1.00 14.52 H new ATOM 0 HA ASN A 680 14.634 19.527 7.817 1.00 23.02 H new ATOM 0 HB2 ASN A 680 12.266 21.022 8.949 1.00 1.32 H new ATOM 0 HB3 ASN A 680 13.933 21.308 9.409 1.00 1.32 H new ATOM 0 HD21 ASN A 680 12.476 22.733 5.849 1.00 20.25 H new ATOM 0 HD22 ASN A 680 11.532 21.641 6.867 1.00 20.25 H new ATOM 1461 N ASN A 681 14.676 17.866 9.630 1.00 41.02 N ATOM 1462 CA ASN A 681 14.791 16.872 10.672 1.00 34.32 C ATOM 1463 C ASN A 681 16.260 16.738 11.052 1.00 43.13 C ATOM 1464 O ASN A 681 17.133 16.951 10.205 1.00 51.23 O ATOM 1465 CB ASN A 681 14.256 15.542 10.106 1.00 24.34 C ATOM 1466 CG ASN A 681 14.307 14.377 11.067 1.00 72.14 C ATOM 1467 OD1 ASN A 681 15.302 13.684 11.143 1.00 10.12 O ATOM 1468 ND2 ASN A 681 13.230 14.125 11.755 1.00 5.21 N ATOM 0 H ASN A 681 15.481 17.898 9.004 1.00 41.02 H new ATOM 0 HA ASN A 681 14.222 17.150 11.559 1.00 34.32 H new ATOM 0 HB2 ASN A 681 13.223 15.688 9.789 1.00 24.34 H new ATOM 0 HB3 ASN A 681 14.830 15.285 9.216 1.00 24.34 H new ATOM 0 HD21 ASN A 681 13.203 13.323 12.384 1.00 5.21 H new ATOM 0 HD22 ASN A 681 12.414 14.730 11.665 1.00 5.21 H new ATOM 1474 N GLU A 682 16.530 16.388 12.299 1.00 20.42 N ATOM 1475 CA GLU A 682 17.898 16.286 12.822 1.00 3.44 C ATOM 1476 C GLU A 682 18.658 15.106 12.203 1.00 1.33 C ATOM 1477 O GLU A 682 19.862 15.161 12.015 1.00 33.33 O ATOM 1478 CB GLU A 682 17.845 16.143 14.342 1.00 41.32 C ATOM 1479 CG GLU A 682 19.191 16.019 15.032 1.00 72.34 C ATOM 1480 CD GLU A 682 19.039 15.833 16.513 1.00 52.34 C ATOM 1481 OE1 GLU A 682 18.768 14.703 16.947 1.00 23.50 O ATOM 1482 OE2 GLU A 682 19.182 16.824 17.272 1.00 51.14 O ATOM 0 H GLU A 682 15.810 16.164 12.986 1.00 20.42 H new ATOM 0 HA GLU A 682 18.437 17.194 12.553 1.00 3.44 H new ATOM 0 HB2 GLU A 682 17.323 17.007 14.753 1.00 41.32 H new ATOM 0 HB3 GLU A 682 17.248 15.264 14.587 1.00 41.32 H new ATOM 0 HG2 GLU A 682 19.738 15.175 14.613 1.00 72.34 H new ATOM 0 HG3 GLU A 682 19.784 16.912 14.836 1.00 72.34 H new ATOM 1489 N LYS A 683 17.944 14.058 11.893 1.00 60.34 N ATOM 1490 CA LYS A 683 18.531 12.863 11.301 1.00 70.34 C ATOM 1491 C LYS A 683 18.630 13.041 9.789 1.00 43.33 C ATOM 1492 O LYS A 683 19.443 12.395 9.124 1.00 13.13 O ATOM 1493 CB LYS A 683 17.613 11.655 11.607 1.00 62.43 C ATOM 1494 CG LYS A 683 18.071 10.313 11.027 1.00 21.31 C ATOM 1495 CD LYS A 683 17.003 9.226 11.205 1.00 74.43 C ATOM 1496 CE LYS A 683 16.686 8.936 12.672 1.00 60.41 C ATOM 1497 NZ LYS A 683 17.842 8.375 13.391 1.00 54.44 N ATOM 0 H LYS A 683 16.936 13.998 12.040 1.00 60.34 H new ATOM 0 HA LYS A 683 19.526 12.696 11.714 1.00 70.34 H new ATOM 0 HB2 LYS A 683 17.526 11.552 12.689 1.00 62.43 H new ATOM 0 HB3 LYS A 683 16.615 11.874 11.226 1.00 62.43 H new ATOM 0 HG2 LYS A 683 18.296 10.432 9.967 1.00 21.31 H new ATOM 0 HG3 LYS A 683 18.994 10.001 11.516 1.00 21.31 H new ATOM 0 HD2 LYS A 683 16.090 9.534 10.696 1.00 74.43 H new ATOM 0 HD3 LYS A 683 17.342 8.309 10.724 1.00 74.43 H new ATOM 0 HE2 LYS A 683 16.367 9.856 13.162 1.00 60.41 H new ATOM 0 HE3 LYS A 683 15.851 8.238 12.730 1.00 60.41 H new ATOM 0 HZ1 LYS A 683 17.553 8.100 14.352 1.00 54.44 H new ATOM 0 HZ2 LYS A 683 18.195 7.539 12.883 1.00 54.44 H new ATOM 0 HZ3 LYS A 683 18.596 9.089 13.447 1.00 54.44 H new ATOM 1511 N ARG A 684 17.826 13.977 9.277 1.00 52.13 N ATOM 1512 CA ARG A 684 17.598 14.145 7.842 1.00 43.14 C ATOM 1513 C ARG A 684 17.037 12.868 7.301 1.00 4.24 C ATOM 1514 O ARG A 684 17.757 11.973 6.857 1.00 55.23 O ATOM 1515 CB ARG A 684 18.805 14.619 7.008 1.00 24.44 C ATOM 1516 CG ARG A 684 19.292 16.029 7.296 1.00 24.22 C ATOM 1517 CD ARG A 684 20.026 16.143 8.618 1.00 35.14 C ATOM 1518 NE ARG A 684 21.211 15.272 8.668 1.00 33.03 N ATOM 1519 CZ ARG A 684 22.153 15.307 9.619 1.00 41.34 C ATOM 1520 NH1 ARG A 684 22.095 16.213 10.588 1.00 32.00 N ATOM 1521 NH2 ARG A 684 23.158 14.435 9.593 1.00 44.21 N ATOM 0 H ARG A 684 17.312 14.644 9.853 1.00 52.13 H new ATOM 0 HA ARG A 684 16.894 14.971 7.744 1.00 43.14 H new ATOM 0 HB2 ARG A 684 19.632 13.928 7.174 1.00 24.44 H new ATOM 0 HB3 ARG A 684 18.542 14.554 5.952 1.00 24.44 H new ATOM 0 HG2 ARG A 684 19.952 16.351 6.491 1.00 24.22 H new ATOM 0 HG3 ARG A 684 18.440 16.708 7.300 1.00 24.22 H new ATOM 0 HD2 ARG A 684 20.330 17.178 8.776 1.00 35.14 H new ATOM 0 HD3 ARG A 684 19.350 15.882 9.432 1.00 35.14 H new ATOM 0 HE ARG A 684 21.324 14.588 7.920 1.00 33.03 H new ATOM 0 HH11 ARG A 684 21.330 16.887 10.611 1.00 32.00 H new ATOM 0 HH12 ARG A 684 22.815 16.235 11.310 1.00 32.00 H new ATOM 0 HH21 ARG A 684 23.211 13.740 8.849 1.00 44.21 H new ATOM 0 HH22 ARG A 684 23.875 14.462 10.318 1.00 44.21 H new ATOM 1533 N THR A 685 15.770 12.762 7.393 1.00 40.11 N ATOM 1534 CA THR A 685 15.112 11.554 7.053 1.00 64.33 C ATOM 1535 C THR A 685 14.319 11.666 5.747 1.00 21.55 C ATOM 1536 O THR A 685 13.363 12.456 5.641 1.00 62.23 O ATOM 1537 CB THR A 685 14.188 11.088 8.230 1.00 24.21 C ATOM 1538 OG1 THR A 685 13.460 9.914 7.874 1.00 1.34 O ATOM 1539 CG2 THR A 685 13.215 12.177 8.618 1.00 14.23 C ATOM 0 H THR A 685 15.152 13.510 7.707 1.00 40.11 H new ATOM 0 HA THR A 685 15.882 10.801 6.887 1.00 64.33 H new ATOM 0 HB THR A 685 14.833 10.865 9.080 1.00 24.21 H new ATOM 0 HG1 THR A 685 13.017 9.550 8.669 1.00 1.34 H new ATOM 0 HG21 THR A 685 12.586 11.828 9.437 1.00 14.23 H new ATOM 0 HG22 THR A 685 13.767 13.062 8.936 1.00 14.23 H new ATOM 0 HG23 THR A 685 12.590 12.428 7.761 1.00 14.23 H new ATOM 1545 N PRO A 686 14.732 10.913 4.719 1.00 4.34 N ATOM 1546 CA PRO A 686 13.953 10.761 3.512 1.00 31.41 C ATOM 1547 C PRO A 686 12.753 9.925 3.885 1.00 45.14 C ATOM 1548 O PRO A 686 12.898 8.890 4.548 1.00 44.54 O ATOM 1549 CB PRO A 686 14.878 10.000 2.547 1.00 44.40 C ATOM 1550 CG PRO A 686 16.226 10.032 3.190 1.00 71.04 C ATOM 1551 CD PRO A 686 15.981 10.163 4.665 1.00 44.14 C ATOM 0 HA PRO A 686 13.612 11.693 3.062 1.00 31.41 H new ATOM 0 HB2 PRO A 686 14.536 8.976 2.400 1.00 44.40 H new ATOM 0 HB3 PRO A 686 14.899 10.474 1.565 1.00 44.40 H new ATOM 0 HG2 PRO A 686 16.786 9.124 2.967 1.00 71.04 H new ATOM 0 HG3 PRO A 686 16.816 10.869 2.817 1.00 71.04 H new ATOM 0 HD2 PRO A 686 15.890 9.190 5.148 1.00 44.14 H new ATOM 0 HD3 PRO A 686 16.793 10.692 5.165 1.00 44.14 H new ATOM 1559 N ARG A 687 11.594 10.363 3.510 1.00 1.03 N ATOM 1560 CA ARG A 687 10.402 9.780 3.991 1.00 71.34 C ATOM 1561 C ARG A 687 10.198 8.314 3.593 1.00 12.11 C ATOM 1562 O ARG A 687 10.594 7.870 2.516 1.00 22.54 O ATOM 1563 CB ARG A 687 9.231 10.651 3.649 1.00 52.30 C ATOM 1564 CG ARG A 687 7.975 10.357 4.428 1.00 2.52 C ATOM 1565 CD ARG A 687 8.201 10.505 5.952 1.00 12.22 C ATOM 1566 NE ARG A 687 8.830 9.330 6.608 1.00 63.42 N ATOM 1567 CZ ARG A 687 10.071 9.315 7.176 1.00 64.15 C ATOM 1568 NH1 ARG A 687 10.898 10.341 7.014 1.00 13.30 N ATOM 1569 NH2 ARG A 687 10.471 8.269 7.880 1.00 55.32 N ATOM 0 H ARG A 687 11.457 11.137 2.860 1.00 1.03 H new ATOM 0 HA ARG A 687 10.493 9.731 5.076 1.00 71.34 H new ATOM 0 HB2 ARG A 687 9.509 11.692 3.815 1.00 52.30 H new ATOM 0 HB3 ARG A 687 9.015 10.545 2.586 1.00 52.30 H new ATOM 0 HG2 ARG A 687 7.182 11.034 4.110 1.00 2.52 H new ATOM 0 HG3 ARG A 687 7.638 9.345 4.206 1.00 2.52 H new ATOM 0 HD2 ARG A 687 8.827 11.380 6.128 1.00 12.22 H new ATOM 0 HD3 ARG A 687 7.241 10.699 6.430 1.00 12.22 H new ATOM 0 HE ARG A 687 8.291 8.465 6.636 1.00 63.42 H new ATOM 0 HH11 ARG A 687 10.607 11.148 6.462 1.00 13.30 H new ATOM 0 HH12 ARG A 687 11.824 10.322 7.442 1.00 13.30 H new ATOM 0 HH21 ARG A 687 9.851 7.468 8.001 1.00 55.32 H new ATOM 0 HH22 ARG A 687 11.400 8.263 8.302 1.00 55.32 H new ATOM 1581 N ALA A 688 9.599 7.599 4.508 1.00 12.20 N ATOM 1582 CA ALA A 688 9.300 6.222 4.389 1.00 3.41 C ATOM 1583 C ALA A 688 7.863 6.003 4.844 1.00 44.45 C ATOM 1584 O ALA A 688 7.390 6.667 5.799 1.00 31.04 O ATOM 1585 CB ALA A 688 10.261 5.406 5.247 1.00 61.22 C ATOM 0 H ALA A 688 9.296 7.995 5.398 1.00 12.20 H new ATOM 0 HA ALA A 688 9.411 5.899 3.354 1.00 3.41 H new ATOM 0 HB1 ALA A 688 10.025 4.346 5.150 1.00 61.22 H new ATOM 0 HB2 ALA A 688 11.284 5.581 4.915 1.00 61.22 H new ATOM 0 HB3 ALA A 688 10.162 5.706 6.290 1.00 61.22 H new ATOM 1591 N THR A 689 7.189 5.117 4.171 1.00 71.45 N ATOM 1592 CA THR A 689 5.807 4.789 4.441 1.00 5.33 C ATOM 1593 C THR A 689 5.700 3.318 4.705 1.00 52.30 C ATOM 1594 O THR A 689 6.216 2.512 3.928 1.00 61.42 O ATOM 1595 CB THR A 689 4.958 5.094 3.208 1.00 32.14 C ATOM 1596 OG1 THR A 689 5.147 6.424 2.868 1.00 32.51 O ATOM 1597 CG2 THR A 689 3.482 4.856 3.464 1.00 54.02 C ATOM 0 H THR A 689 7.589 4.585 3.398 1.00 71.45 H new ATOM 0 HA THR A 689 5.463 5.370 5.297 1.00 5.33 H new ATOM 0 HB THR A 689 5.268 4.429 2.402 1.00 32.14 H new ATOM 0 HG1 THR A 689 6.026 6.533 2.449 1.00 32.51 H new ATOM 0 HG21 THR A 689 2.915 5.085 2.562 1.00 54.02 H new ATOM 0 HG22 THR A 689 3.324 3.813 3.737 1.00 54.02 H new ATOM 0 HG23 THR A 689 3.145 5.499 4.277 1.00 54.02 H new ATOM 1603 N LEU A 690 5.057 2.950 5.765 1.00 32.34 N ATOM 1604 CA LEU A 690 4.891 1.600 6.033 1.00 41.23 C ATOM 1605 C LEU A 690 3.400 1.284 6.172 1.00 23.51 C ATOM 1606 O LEU A 690 2.701 1.829 7.037 1.00 63.42 O ATOM 1607 CB LEU A 690 5.725 1.206 7.272 1.00 2.31 C ATOM 1608 CG LEU A 690 5.766 -0.276 7.644 1.00 30.33 C ATOM 1609 CD1 LEU A 690 6.889 -0.537 8.613 1.00 11.15 C ATOM 1610 CD2 LEU A 690 4.474 -0.721 8.280 1.00 34.53 C ATOM 0 H LEU A 690 4.645 3.585 6.449 1.00 32.34 H new ATOM 0 HA LEU A 690 5.263 0.995 5.206 1.00 41.23 H new ATOM 0 HB2 LEU A 690 6.749 1.542 7.111 1.00 2.31 H new ATOM 0 HB3 LEU A 690 5.339 1.759 8.129 1.00 2.31 H new ATOM 0 HG LEU A 690 5.921 -0.838 6.723 1.00 30.33 H new ATOM 0 HD11 LEU A 690 6.908 -1.596 8.871 1.00 11.15 H new ATOM 0 HD12 LEU A 690 7.838 -0.258 8.154 1.00 11.15 H new ATOM 0 HD13 LEU A 690 6.735 0.054 9.516 1.00 11.15 H new ATOM 0 HD21 LEU A 690 4.538 -1.780 8.532 1.00 34.53 H new ATOM 0 HD22 LEU A 690 4.297 -0.143 9.187 1.00 34.53 H new ATOM 0 HD23 LEU A 690 3.652 -0.563 7.582 1.00 34.53 H new ATOM 1618 N ILE A 691 2.923 0.432 5.314 1.00 44.00 N ATOM 1619 CA ILE A 691 1.554 -0.012 5.359 1.00 73.21 C ATOM 1620 C ILE A 691 1.537 -1.327 6.097 1.00 1.32 C ATOM 1621 O ILE A 691 2.406 -2.159 5.886 1.00 44.02 O ATOM 1622 CB ILE A 691 0.910 -0.269 3.941 1.00 72.43 C ATOM 1623 CG1 ILE A 691 0.852 0.961 3.028 1.00 14.45 C ATOM 1624 CG2 ILE A 691 -0.474 -0.846 4.081 1.00 25.44 C ATOM 1625 CD1 ILE A 691 2.191 1.496 2.572 1.00 63.22 C ATOM 0 H ILE A 691 3.472 0.021 4.558 1.00 44.00 H new ATOM 0 HA ILE A 691 0.976 0.778 5.838 1.00 73.21 H new ATOM 0 HB ILE A 691 1.580 -0.980 3.458 1.00 72.43 H new ATOM 0 HG12 ILE A 691 0.261 0.711 2.147 1.00 14.45 H new ATOM 0 HG13 ILE A 691 0.322 1.756 3.552 1.00 14.45 H new ATOM 0 HG21 ILE A 691 -0.899 -1.015 3.092 1.00 25.44 H new ATOM 0 HG22 ILE A 691 -0.421 -1.792 4.620 1.00 25.44 H new ATOM 0 HG23 ILE A 691 -1.105 -0.149 4.633 1.00 25.44 H new ATOM 0 HD11 ILE A 691 2.037 2.365 1.932 1.00 63.22 H new ATOM 0 HD12 ILE A 691 2.782 1.786 3.441 1.00 63.22 H new ATOM 0 HD13 ILE A 691 2.720 0.724 2.014 1.00 63.22 H new ATOM 1632 N THR A 692 0.614 -1.491 6.975 1.00 61.41 N ATOM 1633 CA THR A 692 0.446 -2.727 7.647 1.00 13.01 C ATOM 1634 C THR A 692 -0.896 -3.306 7.227 1.00 4.53 C ATOM 1635 O THR A 692 -1.945 -2.666 7.396 1.00 22.25 O ATOM 1636 CB THR A 692 0.504 -2.514 9.163 1.00 52.35 C ATOM 1637 OG1 THR A 692 1.750 -1.869 9.468 1.00 33.34 O ATOM 1638 CG2 THR A 692 0.436 -3.837 9.899 1.00 34.21 C ATOM 0 H THR A 692 -0.050 -0.766 7.249 1.00 61.41 H new ATOM 0 HA THR A 692 1.245 -3.421 7.384 1.00 13.01 H new ATOM 0 HB THR A 692 -0.344 -1.906 9.478 1.00 52.35 H new ATOM 0 HG1 THR A 692 1.871 -1.834 10.440 1.00 33.34 H new ATOM 0 HG21 THR A 692 0.479 -3.658 10.973 1.00 34.21 H new ATOM 0 HG22 THR A 692 -0.497 -4.343 9.652 1.00 34.21 H new ATOM 0 HG23 THR A 692 1.277 -4.463 9.601 1.00 34.21 H new ATOM 1644 N PHE A 693 -0.853 -4.464 6.641 1.00 62.12 N ATOM 1645 CA PHE A 693 -2.022 -5.122 6.180 1.00 71.44 C ATOM 1646 C PHE A 693 -2.546 -5.999 7.289 1.00 53.20 C ATOM 1647 O PHE A 693 -1.879 -6.954 7.714 1.00 31.00 O ATOM 1648 CB PHE A 693 -1.710 -6.003 4.944 1.00 54.13 C ATOM 1649 CG PHE A 693 -1.016 -5.288 3.811 1.00 45.32 C ATOM 1650 CD1 PHE A 693 -1.692 -4.425 2.997 1.00 31.23 C ATOM 1651 CD2 PHE A 693 0.317 -5.487 3.585 1.00 4.53 C ATOM 1652 CE1 PHE A 693 -1.042 -3.760 1.963 1.00 5.11 C ATOM 1653 CE2 PHE A 693 0.976 -4.839 2.562 1.00 12.34 C ATOM 1654 CZ PHE A 693 0.292 -3.971 1.751 1.00 70.15 C ATOM 0 H PHE A 693 0.010 -4.980 6.471 1.00 62.12 H new ATOM 0 HA PHE A 693 -2.761 -4.374 5.893 1.00 71.44 H new ATOM 0 HB2 PHE A 693 -1.088 -6.840 5.261 1.00 54.13 H new ATOM 0 HB3 PHE A 693 -2.644 -6.423 4.571 1.00 54.13 H new ATOM 0 HD1 PHE A 693 -2.746 -4.256 3.158 1.00 31.23 H new ATOM 0 HD2 PHE A 693 0.866 -6.166 4.221 1.00 4.53 H new ATOM 0 HE1 PHE A 693 -1.590 -3.079 1.329 1.00 5.11 H new ATOM 0 HE2 PHE A 693 2.029 -5.015 2.400 1.00 12.34 H new ATOM 0 HZ PHE A 693 0.803 -3.457 0.950 1.00 70.15 H new ATOM 1664 N LEU A 694 -3.701 -5.669 7.765 1.00 34.43 N ATOM 1665 CA LEU A 694 -4.367 -6.461 8.748 1.00 11.35 C ATOM 1666 C LEU A 694 -5.414 -7.219 8.009 1.00 12.51 C ATOM 1667 O LEU A 694 -5.906 -6.740 6.975 1.00 13.41 O ATOM 1668 CB LEU A 694 -5.025 -5.614 9.875 1.00 3.21 C ATOM 1669 CG LEU A 694 -4.110 -4.716 10.745 1.00 64.41 C ATOM 1670 CD1 LEU A 694 -3.593 -3.510 9.982 1.00 32.50 C ATOM 1671 CD2 LEU A 694 -4.827 -4.282 12.011 1.00 41.35 C ATOM 0 H LEU A 694 -4.214 -4.835 7.481 1.00 34.43 H new ATOM 0 HA LEU A 694 -3.647 -7.106 9.251 1.00 11.35 H new ATOM 0 HB2 LEU A 694 -5.778 -4.975 9.414 1.00 3.21 H new ATOM 0 HB3 LEU A 694 -5.551 -6.298 10.541 1.00 3.21 H new ATOM 0 HG LEU A 694 -3.244 -5.317 11.021 1.00 64.41 H new ATOM 0 HD11 LEU A 694 -2.957 -2.912 10.634 1.00 32.50 H new ATOM 0 HD12 LEU A 694 -3.016 -3.845 9.120 1.00 32.50 H new ATOM 0 HD13 LEU A 694 -4.435 -2.906 9.643 1.00 32.50 H new ATOM 0 HD21 LEU A 694 -4.165 -3.653 12.606 1.00 41.35 H new ATOM 0 HD22 LEU A 694 -5.723 -3.720 11.747 1.00 41.35 H new ATOM 0 HD23 LEU A 694 -5.108 -5.162 12.590 1.00 41.35 H new ATOM 1679 N CYS A 695 -5.774 -8.358 8.469 1.00 75.31 N ATOM 1680 CA CYS A 695 -6.705 -9.116 7.723 1.00 74.34 C ATOM 1681 C CYS A 695 -8.056 -9.098 8.363 1.00 3.15 C ATOM 1682 O CYS A 695 -8.284 -9.703 9.416 1.00 12.31 O ATOM 1683 CB CYS A 695 -6.226 -10.535 7.509 1.00 13.13 C ATOM 1684 SG CYS A 695 -7.274 -11.492 6.373 1.00 2.34 S ATOM 0 H CYS A 695 -5.448 -8.779 9.339 1.00 75.31 H new ATOM 0 HA CYS A 695 -6.791 -8.647 6.743 1.00 74.34 H new ATOM 0 HB2 CYS A 695 -5.209 -10.511 7.119 1.00 13.13 H new ATOM 0 HB3 CYS A 695 -6.187 -11.046 8.471 1.00 13.13 H new ATOM 1689 N ASP A 696 -8.937 -8.356 7.760 1.00 42.41 N ATOM 1690 CA ASP A 696 -10.306 -8.310 8.182 1.00 44.22 C ATOM 1691 C ASP A 696 -10.992 -9.481 7.517 1.00 3.31 C ATOM 1692 O ASP A 696 -10.702 -9.787 6.352 1.00 52.25 O ATOM 1693 CB ASP A 696 -10.947 -6.987 7.759 1.00 34.21 C ATOM 1694 CG ASP A 696 -12.350 -6.815 8.283 1.00 3.34 C ATOM 1695 OD1 ASP A 696 -12.506 -6.313 9.420 1.00 65.32 O ATOM 1696 OD2 ASP A 696 -13.305 -7.147 7.571 1.00 52.04 O ATOM 0 H ASP A 696 -8.725 -7.763 6.958 1.00 42.41 H new ATOM 0 HA ASP A 696 -10.394 -8.372 9.267 1.00 44.22 H new ATOM 0 HB2 ASP A 696 -10.330 -6.161 8.113 1.00 34.21 H new ATOM 0 HB3 ASP A 696 -10.962 -6.929 6.671 1.00 34.21 H new ATOM 1745 N GLY A 700 -11.853 -8.644 0.508 1.00 73.22 N ATOM 1746 CA GLY A 700 -11.595 -7.381 -0.126 1.00 44.45 C ATOM 1747 C GLY A 700 -10.115 -7.147 -0.319 1.00 3.22 C ATOM 1748 O GLY A 700 -9.291 -7.744 0.392 1.00 50.12 O ATOM 0 HA2 GLY A 700 -12.098 -7.349 -1.093 1.00 44.45 H new ATOM 0 HA3 GLY A 700 -12.015 -6.577 0.479 1.00 44.45 H new ATOM 1752 N VAL A 701 -9.759 -6.282 -1.269 1.00 23.41 N ATOM 1753 CA VAL A 701 -8.369 -5.981 -1.545 1.00 41.55 C ATOM 1754 C VAL A 701 -7.760 -5.127 -0.450 1.00 53.30 C ATOM 1755 O VAL A 701 -6.571 -5.199 -0.186 1.00 0.35 O ATOM 1756 CB VAL A 701 -8.177 -5.291 -2.904 1.00 22.44 C ATOM 1757 CG1 VAL A 701 -8.629 -6.185 -4.036 1.00 54.22 C ATOM 1758 CG2 VAL A 701 -8.877 -3.940 -2.967 1.00 4.12 C ATOM 0 H VAL A 701 -10.423 -5.780 -1.858 1.00 23.41 H new ATOM 0 HA VAL A 701 -7.853 -6.940 -1.578 1.00 41.55 H new ATOM 0 HB VAL A 701 -7.109 -5.106 -3.018 1.00 22.44 H new ATOM 0 HG11 VAL A 701 -8.482 -5.672 -4.986 1.00 54.22 H new ATOM 0 HG12 VAL A 701 -8.046 -7.106 -4.027 1.00 54.22 H new ATOM 0 HG13 VAL A 701 -9.685 -6.423 -3.912 1.00 54.22 H new ATOM 0 HG21 VAL A 701 -8.713 -3.491 -3.946 1.00 4.12 H new ATOM 0 HG22 VAL A 701 -9.946 -4.076 -2.805 1.00 4.12 H new ATOM 0 HG23 VAL A 701 -8.474 -3.285 -2.195 1.00 4.12 H new ATOM 1764 N GLY A 702 -8.564 -4.338 0.163 1.00 33.43 N ATOM 1765 CA GLY A 702 -8.116 -3.535 1.243 1.00 32.23 C ATOM 1766 C GLY A 702 -8.040 -2.085 0.901 1.00 35.34 C ATOM 1767 O GLY A 702 -7.723 -1.716 -0.228 1.00 73.31 O ATOM 0 H GLY A 702 -9.551 -4.230 -0.069 1.00 33.43 H new ATOM 0 HA2 GLY A 702 -8.789 -3.668 2.090 1.00 32.23 H new ATOM 0 HA3 GLY A 702 -7.132 -3.880 1.560 1.00 32.23 H new ATOM 1771 N PHE A 703 -8.370 -1.275 1.850 1.00 11.00 N ATOM 1772 CA PHE A 703 -8.309 0.141 1.707 1.00 32.15 C ATOM 1773 C PHE A 703 -7.311 0.688 2.726 1.00 32.21 C ATOM 1774 O PHE A 703 -7.339 0.273 3.890 1.00 2.41 O ATOM 1775 CB PHE A 703 -9.707 0.723 1.926 1.00 21.42 C ATOM 1776 CG PHE A 703 -9.812 2.191 1.705 1.00 51.32 C ATOM 1777 CD1 PHE A 703 -9.687 2.715 0.433 1.00 11.45 C ATOM 1778 CD2 PHE A 703 -10.032 3.048 2.762 1.00 32.23 C ATOM 1779 CE1 PHE A 703 -9.779 4.064 0.221 1.00 24.43 C ATOM 1780 CE2 PHE A 703 -10.125 4.399 2.553 1.00 75.15 C ATOM 1781 CZ PHE A 703 -9.997 4.909 1.283 1.00 3.51 C ATOM 0 H PHE A 703 -8.696 -1.585 2.765 1.00 11.00 H new ATOM 0 HA PHE A 703 -7.976 0.421 0.708 1.00 32.15 H new ATOM 0 HB2 PHE A 703 -10.405 0.218 1.258 1.00 21.42 H new ATOM 0 HB3 PHE A 703 -10.023 0.499 2.945 1.00 21.42 H new ATOM 0 HD1 PHE A 703 -9.515 2.053 -0.403 1.00 11.45 H new ATOM 0 HD2 PHE A 703 -10.132 2.652 3.762 1.00 32.23 H new ATOM 0 HE1 PHE A 703 -9.681 4.463 -0.778 1.00 24.43 H new ATOM 0 HE2 PHE A 703 -10.299 5.063 3.386 1.00 75.15 H new ATOM 0 HZ PHE A 703 -10.068 5.974 1.119 1.00 3.51 H new ATOM 1791 N PRO A 704 -6.393 1.571 2.316 1.00 14.23 N ATOM 1792 CA PRO A 704 -5.431 2.154 3.230 1.00 32.23 C ATOM 1793 C PRO A 704 -6.028 3.302 4.053 1.00 10.02 C ATOM 1794 O PRO A 704 -6.764 4.156 3.539 1.00 25.21 O ATOM 1795 CB PRO A 704 -4.322 2.666 2.315 1.00 11.10 C ATOM 1796 CG PRO A 704 -4.975 2.907 0.993 1.00 23.05 C ATOM 1797 CD PRO A 704 -6.215 2.049 0.937 1.00 43.05 C ATOM 0 HA PRO A 704 -5.084 1.430 3.967 1.00 32.23 H new ATOM 0 HB2 PRO A 704 -3.881 3.582 2.708 1.00 11.10 H new ATOM 0 HB3 PRO A 704 -3.517 1.936 2.228 1.00 11.10 H new ATOM 0 HG2 PRO A 704 -5.232 3.960 0.878 1.00 23.05 H new ATOM 0 HG3 PRO A 704 -4.296 2.654 0.178 1.00 23.05 H new ATOM 0 HD2 PRO A 704 -7.079 2.622 0.601 1.00 43.05 H new ATOM 0 HD3 PRO A 704 -6.092 1.219 0.242 1.00 43.05 H new ATOM 1805 N GLU A 705 -5.714 3.306 5.316 1.00 50.23 N ATOM 1806 CA GLU A 705 -6.169 4.311 6.234 1.00 62.31 C ATOM 1807 C GLU A 705 -5.001 4.811 7.066 1.00 31.12 C ATOM 1808 O GLU A 705 -4.079 4.052 7.379 1.00 12.12 O ATOM 1809 CB GLU A 705 -7.277 3.744 7.120 1.00 33.15 C ATOM 1810 CG GLU A 705 -8.512 3.324 6.336 1.00 1.30 C ATOM 1811 CD GLU A 705 -9.609 2.807 7.206 1.00 21.53 C ATOM 1812 OE1 GLU A 705 -9.599 1.608 7.532 1.00 10.40 O ATOM 1813 OE2 GLU A 705 -10.513 3.591 7.577 1.00 45.01 O ATOM 0 H GLU A 705 -5.122 2.596 5.746 1.00 50.23 H new ATOM 0 HA GLU A 705 -6.579 5.155 5.679 1.00 62.31 H new ATOM 0 HB2 GLU A 705 -6.892 2.884 7.668 1.00 33.15 H new ATOM 0 HB3 GLU A 705 -7.561 4.492 7.860 1.00 33.15 H new ATOM 0 HG2 GLU A 705 -8.880 4.176 5.765 1.00 1.30 H new ATOM 0 HG3 GLU A 705 -8.234 2.554 5.616 1.00 1.30 H new ATOM 1820 N TYR A 706 -5.036 6.065 7.411 1.00 63.31 N ATOM 1821 CA TYR A 706 -3.952 6.710 8.123 1.00 22.42 C ATOM 1822 C TYR A 706 -4.074 6.492 9.624 1.00 71.13 C ATOM 1823 O TYR A 706 -5.109 6.804 10.226 1.00 62.02 O ATOM 1824 CB TYR A 706 -3.972 8.199 7.784 1.00 75.02 C ATOM 1825 CG TYR A 706 -2.885 9.027 8.413 1.00 52.41 C ATOM 1826 CD1 TYR A 706 -1.555 8.815 8.093 1.00 52.01 C ATOM 1827 CD2 TYR A 706 -3.191 10.048 9.295 1.00 33.14 C ATOM 1828 CE1 TYR A 706 -0.563 9.596 8.632 1.00 1.42 C ATOM 1829 CE2 TYR A 706 -2.203 10.828 9.845 1.00 64.25 C ATOM 1830 CZ TYR A 706 -0.895 10.602 9.510 1.00 53.40 C ATOM 1831 OH TYR A 706 0.088 11.403 10.045 1.00 41.03 O ATOM 0 H TYR A 706 -5.822 6.682 7.208 1.00 63.31 H new ATOM 0 HA TYR A 706 -3.002 6.274 7.815 1.00 22.42 H new ATOM 0 HB2 TYR A 706 -3.905 8.307 6.701 1.00 75.02 H new ATOM 0 HB3 TYR A 706 -4.936 8.608 8.086 1.00 75.02 H new ATOM 0 HD1 TYR A 706 -1.293 8.022 7.408 1.00 52.01 H new ATOM 0 HD2 TYR A 706 -4.222 10.235 9.555 1.00 33.14 H new ATOM 0 HE1 TYR A 706 0.470 9.422 8.369 1.00 1.42 H new ATOM 0 HE2 TYR A 706 -2.457 11.616 10.539 1.00 64.25 H new ATOM 0 HH TYR A 706 0.891 11.352 9.486 1.00 41.03 H new ATOM 1841 N GLN A 707 -3.028 5.944 10.234 1.00 4.43 N ATOM 1842 CA GLN A 707 -3.054 5.714 11.667 1.00 74.21 C ATOM 1843 C GLN A 707 -2.720 6.976 12.421 1.00 74.42 C ATOM 1844 O GLN A 707 -3.589 7.761 12.777 1.00 14.42 O ATOM 1845 CB GLN A 707 -2.054 4.649 12.122 1.00 13.43 C ATOM 1846 CG GLN A 707 -2.211 3.282 11.564 1.00 74.31 C ATOM 1847 CD GLN A 707 -1.169 2.371 12.140 1.00 15.44 C ATOM 1848 OE1 GLN A 707 -0.723 2.553 13.275 1.00 73.34 O ATOM 1849 NE2 GLN A 707 -0.762 1.410 11.389 1.00 1.43 N ATOM 0 H GLN A 707 -2.169 5.657 9.766 1.00 4.43 H new ATOM 0 HA GLN A 707 -4.067 5.374 11.882 1.00 74.21 H new ATOM 0 HB2 GLN A 707 -1.052 5.000 11.876 1.00 13.43 H new ATOM 0 HB3 GLN A 707 -2.109 4.578 13.208 1.00 13.43 H new ATOM 0 HG2 GLN A 707 -3.206 2.900 11.791 1.00 74.31 H new ATOM 0 HG3 GLN A 707 -2.121 3.311 10.478 1.00 74.31 H new ATOM 0 HE21 GLN A 707 -1.155 1.291 10.455 1.00 1.43 H new ATOM 0 HE22 GLN A 707 -0.046 0.767 11.727 1.00 1.43 H new ATOM 1912 N SER A 712 8.441 11.044 11.976 1.00 31.40 N ATOM 1913 CA SER A 712 8.407 11.262 10.561 1.00 24.24 C ATOM 1914 C SER A 712 7.742 10.099 9.801 1.00 43.32 C ATOM 1915 O SER A 712 7.118 10.311 8.774 1.00 73.44 O ATOM 1916 CB SER A 712 9.825 11.544 10.048 1.00 32.32 C ATOM 1917 OG SER A 712 10.734 10.516 10.447 1.00 22.32 O ATOM 0 HA SER A 712 7.784 12.135 10.368 1.00 24.24 H new ATOM 0 HB2 SER A 712 9.813 11.620 8.961 1.00 32.32 H new ATOM 0 HB3 SER A 712 10.168 12.505 10.431 1.00 32.32 H new ATOM 0 HG SER A 712 10.437 10.128 11.297 1.00 22.32 H new ATOM 1923 N THR A 713 7.824 8.891 10.334 1.00 32.34 N ATOM 1924 CA THR A 713 7.318 7.730 9.632 1.00 40.23 C ATOM 1925 C THR A 713 5.805 7.591 9.811 1.00 55.51 C ATOM 1926 O THR A 713 5.263 7.796 10.908 1.00 43.12 O ATOM 1927 CB THR A 713 8.051 6.447 10.116 1.00 53.41 C ATOM 1928 OG1 THR A 713 9.464 6.620 9.920 1.00 70.54 O ATOM 1929 CG2 THR A 713 7.594 5.214 9.335 1.00 4.22 C ATOM 0 H THR A 713 8.235 8.692 11.246 1.00 32.34 H new ATOM 0 HA THR A 713 7.514 7.863 8.568 1.00 40.23 H new ATOM 0 HB THR A 713 7.817 6.294 11.169 1.00 53.41 H new ATOM 0 HG1 THR A 713 9.937 5.817 10.224 1.00 70.54 H new ATOM 0 HG21 THR A 713 8.126 4.335 9.699 1.00 4.22 H new ATOM 0 HG22 THR A 713 6.522 5.072 9.473 1.00 4.22 H new ATOM 0 HG23 THR A 713 7.808 5.355 8.275 1.00 4.22 H new ATOM 1935 N TYR A 714 5.135 7.282 8.719 1.00 51.34 N ATOM 1936 CA TYR A 714 3.708 7.149 8.699 1.00 42.41 C ATOM 1937 C TYR A 714 3.351 5.669 8.600 1.00 61.43 C ATOM 1938 O TYR A 714 3.915 4.941 7.767 1.00 2.13 O ATOM 1939 CB TYR A 714 3.138 7.892 7.485 1.00 22.25 C ATOM 1940 CG TYR A 714 3.564 9.353 7.368 1.00 44.45 C ATOM 1941 CD1 TYR A 714 3.039 10.332 8.203 1.00 52.11 C ATOM 1942 CD2 TYR A 714 4.494 9.744 6.412 1.00 23.14 C ATOM 1943 CE1 TYR A 714 3.434 11.659 8.083 1.00 31.41 C ATOM 1944 CE2 TYR A 714 4.883 11.060 6.290 1.00 44.30 C ATOM 1945 CZ TYR A 714 4.358 12.010 7.120 1.00 4.24 C ATOM 1946 OH TYR A 714 4.761 13.324 6.985 1.00 32.25 O ATOM 0 H TYR A 714 5.579 7.116 7.816 1.00 51.34 H new ATOM 0 HA TYR A 714 3.287 7.574 9.610 1.00 42.41 H new ATOM 0 HB2 TYR A 714 3.442 7.366 6.580 1.00 22.25 H new ATOM 0 HB3 TYR A 714 2.050 7.848 7.529 1.00 22.25 H new ATOM 0 HD1 TYR A 714 2.314 10.058 8.955 1.00 52.11 H new ATOM 0 HD2 TYR A 714 4.920 9.002 5.752 1.00 23.14 H new ATOM 0 HE1 TYR A 714 3.021 12.411 8.739 1.00 31.41 H new ATOM 0 HE2 TYR A 714 5.604 11.341 5.537 1.00 44.30 H new ATOM 0 HH TYR A 714 5.440 13.387 6.281 1.00 32.25 H new ATOM 1956 N ASN A 715 2.442 5.219 9.439 1.00 53.15 N ATOM 1957 CA ASN A 715 2.021 3.825 9.419 1.00 5.43 C ATOM 1958 C ASN A 715 0.572 3.805 8.970 1.00 24.22 C ATOM 1959 O ASN A 715 -0.244 4.599 9.451 1.00 4.24 O ATOM 1960 CB ASN A 715 2.159 3.187 10.823 1.00 5.11 C ATOM 1961 CG ASN A 715 2.275 1.645 10.841 1.00 13.02 C ATOM 1962 OD1 ASN A 715 2.911 1.084 11.738 1.00 62.22 O ATOM 1963 ND2 ASN A 715 1.694 0.959 9.881 1.00 34.24 N ATOM 0 H ASN A 715 1.979 5.793 10.144 1.00 53.15 H new ATOM 0 HA ASN A 715 2.648 3.247 8.740 1.00 5.43 H new ATOM 0 HB2 ASN A 715 3.040 3.607 11.309 1.00 5.11 H new ATOM 0 HB3 ASN A 715 1.296 3.477 11.422 1.00 5.11 H new ATOM 0 HD21 ASN A 715 1.764 -0.059 9.867 1.00 34.24 H new ATOM 0 HD22 ASN A 715 1.174 1.445 9.150 1.00 34.24 H new ATOM 1969 N PHE A 716 0.261 2.949 8.036 1.00 41.33 N ATOM 1970 CA PHE A 716 -1.086 2.855 7.508 1.00 53.23 C ATOM 1971 C PHE A 716 -1.761 1.541 7.835 1.00 4.15 C ATOM 1972 O PHE A 716 -1.097 0.514 7.996 1.00 22.43 O ATOM 1973 CB PHE A 716 -1.074 3.097 5.995 1.00 22.31 C ATOM 1974 CG PHE A 716 -0.803 4.527 5.635 1.00 71.24 C ATOM 1975 CD1 PHE A 716 0.492 5.005 5.547 1.00 22.12 C ATOM 1976 CD2 PHE A 716 -1.850 5.398 5.400 1.00 52.13 C ATOM 1977 CE1 PHE A 716 0.734 6.324 5.231 1.00 31.13 C ATOM 1978 CE2 PHE A 716 -1.613 6.715 5.086 1.00 41.22 C ATOM 1979 CZ PHE A 716 -0.318 7.177 5.002 1.00 54.31 C ATOM 0 H PHE A 716 0.924 2.297 7.617 1.00 41.33 H new ATOM 0 HA PHE A 716 -1.675 3.631 7.997 1.00 53.23 H new ATOM 0 HB2 PHE A 716 -0.316 2.462 5.537 1.00 22.31 H new ATOM 0 HB3 PHE A 716 -2.035 2.798 5.577 1.00 22.31 H new ATOM 0 HD1 PHE A 716 1.322 4.338 5.728 1.00 22.12 H new ATOM 0 HD2 PHE A 716 -2.867 5.039 5.464 1.00 52.13 H new ATOM 0 HE1 PHE A 716 1.749 6.687 5.163 1.00 31.13 H new ATOM 0 HE2 PHE A 716 -2.440 7.386 4.906 1.00 41.22 H new ATOM 0 HZ PHE A 716 -0.130 8.212 4.756 1.00 54.31 H new ATOM 1989 N ARG A 717 -3.080 1.603 7.972 1.00 73.01 N ATOM 1990 CA ARG A 717 -3.928 0.440 8.187 1.00 65.02 C ATOM 1991 C ARG A 717 -4.514 0.046 6.880 1.00 72.05 C ATOM 1992 O ARG A 717 -5.152 0.846 6.230 1.00 53.34 O ATOM 1993 CB ARG A 717 -5.097 0.739 9.123 1.00 70.25 C ATOM 1994 CG ARG A 717 -4.729 1.090 10.522 1.00 42.05 C ATOM 1995 CD ARG A 717 -5.974 1.370 11.352 1.00 51.22 C ATOM 1996 NE ARG A 717 -5.646 1.718 12.732 1.00 20.34 N ATOM 1997 CZ ARG A 717 -6.517 2.190 13.638 1.00 71.04 C ATOM 1998 NH1 ARG A 717 -7.813 2.348 13.324 1.00 45.42 N ATOM 1999 NH2 ARG A 717 -6.090 2.499 14.848 1.00 34.11 N ATOM 0 H ARG A 717 -3.599 2.481 7.936 1.00 73.01 H new ATOM 0 HA ARG A 717 -3.310 -0.341 8.631 1.00 65.02 H new ATOM 0 HB2 ARG A 717 -5.675 1.561 8.701 1.00 70.25 H new ATOM 0 HB3 ARG A 717 -5.752 -0.132 9.146 1.00 70.25 H new ATOM 0 HG2 ARG A 717 -4.163 0.273 10.970 1.00 42.05 H new ATOM 0 HG3 ARG A 717 -4.080 1.966 10.524 1.00 42.05 H new ATOM 0 HD2 ARG A 717 -6.537 2.185 10.897 1.00 51.22 H new ATOM 0 HD3 ARG A 717 -6.620 0.492 11.343 1.00 51.22 H new ATOM 0 HE ARG A 717 -4.679 1.593 13.031 1.00 20.34 H new ATOM 0 HH11 ARG A 717 -8.144 2.109 12.389 1.00 45.42 H new ATOM 0 HH12 ARG A 717 -8.466 2.707 14.020 1.00 45.42 H new ATOM 0 HH21 ARG A 717 -5.106 2.378 15.088 1.00 34.11 H new ATOM 0 HH22 ARG A 717 -6.744 2.858 15.543 1.00 34.11 H new ATOM 2011 N TRP A 718 -4.278 -1.123 6.488 1.00 1.13 N ATOM 2012 CA TRP A 718 -4.839 -1.631 5.278 1.00 72.31 C ATOM 2013 C TRP A 718 -5.512 -2.945 5.624 1.00 3.22 C ATOM 2014 O TRP A 718 -4.846 -3.885 6.026 1.00 4.03 O ATOM 2015 CB TRP A 718 -3.702 -1.835 4.288 1.00 20.00 C ATOM 2016 CG TRP A 718 -4.075 -2.158 2.873 1.00 55.25 C ATOM 2017 CD1 TRP A 718 -4.855 -3.179 2.432 1.00 25.41 C ATOM 2018 CD2 TRP A 718 -3.594 -1.484 1.698 1.00 21.04 C ATOM 2019 NE1 TRP A 718 -4.915 -3.168 1.065 1.00 22.14 N ATOM 2020 CE2 TRP A 718 -4.150 -2.139 0.593 1.00 21.12 C ATOM 2021 CE3 TRP A 718 -2.757 -0.377 1.477 1.00 41.15 C ATOM 2022 CZ2 TRP A 718 -3.895 -1.742 -0.709 1.00 62.41 C ATOM 2023 CZ3 TRP A 718 -2.507 0.013 0.181 1.00 0.13 C ATOM 2024 CH2 TRP A 718 -3.074 -0.664 -0.894 1.00 31.10 C ATOM 0 H TRP A 718 -3.684 -1.784 6.989 1.00 1.13 H new ATOM 0 HA TRP A 718 -5.569 -0.955 4.832 1.00 72.31 H new ATOM 0 HB2 TRP A 718 -3.095 -0.929 4.279 1.00 20.00 H new ATOM 0 HB3 TRP A 718 -3.069 -2.639 4.662 1.00 20.00 H new ATOM 0 HD1 TRP A 718 -5.355 -3.895 3.068 1.00 25.41 H new ATOM 0 HE1 TRP A 718 -5.446 -3.823 0.491 1.00 22.14 H new ATOM 0 HE3 TRP A 718 -2.319 0.157 2.307 1.00 41.15 H new ATOM 0 HZ2 TRP A 718 -4.329 -2.265 -1.548 1.00 62.41 H new ATOM 0 HZ3 TRP A 718 -1.860 0.858 -0.004 1.00 0.13 H new ATOM 0 HH2 TRP A 718 -2.861 -0.330 -1.899 1.00 31.10 H new ATOM 2035 N TYR A 719 -6.813 -3.012 5.524 1.00 73.21 N ATOM 2036 CA TYR A 719 -7.500 -4.249 5.852 1.00 4.32 C ATOM 2037 C TYR A 719 -7.789 -5.042 4.611 1.00 50.22 C ATOM 2038 O TYR A 719 -8.685 -4.709 3.841 1.00 14.53 O ATOM 2039 CB TYR A 719 -8.773 -3.979 6.642 1.00 61.54 C ATOM 2040 CG TYR A 719 -8.517 -3.408 8.013 1.00 12.22 C ATOM 2041 CD1 TYR A 719 -8.328 -2.045 8.205 1.00 42.33 C ATOM 2042 CD2 TYR A 719 -8.463 -4.235 9.118 1.00 75.43 C ATOM 2043 CE1 TYR A 719 -8.094 -1.528 9.457 1.00 3.42 C ATOM 2044 CE2 TYR A 719 -8.229 -3.728 10.373 1.00 45.02 C ATOM 2045 CZ TYR A 719 -8.045 -2.371 10.539 1.00 64.14 C ATOM 2046 OH TYR A 719 -7.821 -1.860 11.793 1.00 51.24 O ATOM 0 H TYR A 719 -7.415 -2.245 5.225 1.00 73.21 H new ATOM 0 HA TYR A 719 -6.841 -4.843 6.485 1.00 4.32 H new ATOM 0 HB2 TYR A 719 -9.401 -3.287 6.080 1.00 61.54 H new ATOM 0 HB3 TYR A 719 -9.333 -4.908 6.743 1.00 61.54 H new ATOM 0 HD1 TYR A 719 -8.366 -1.380 7.355 1.00 42.33 H new ATOM 0 HD2 TYR A 719 -8.607 -5.298 8.993 1.00 75.43 H new ATOM 0 HE1 TYR A 719 -7.950 -0.466 9.588 1.00 3.42 H new ATOM 0 HE2 TYR A 719 -8.189 -4.389 11.226 1.00 45.02 H new ATOM 0 HH TYR A 719 -7.817 -2.589 12.448 1.00 51.24 H new ATOM 2056 N THR A 720 -7.053 -6.100 4.440 1.00 10.30 N ATOM 2057 CA THR A 720 -7.133 -6.913 3.260 1.00 31.22 C ATOM 2058 C THR A 720 -7.183 -8.383 3.601 1.00 70.04 C ATOM 2059 O THR A 720 -6.550 -8.830 4.558 1.00 22.41 O ATOM 2060 CB THR A 720 -5.953 -6.635 2.294 1.00 63.00 C ATOM 2061 OG1 THR A 720 -6.023 -7.489 1.146 1.00 5.52 O ATOM 2062 CG2 THR A 720 -4.615 -6.805 2.970 1.00 1.13 C ATOM 0 H THR A 720 -6.371 -6.428 5.124 1.00 10.30 H new ATOM 0 HA THR A 720 -8.061 -6.643 2.757 1.00 31.22 H new ATOM 0 HB THR A 720 -6.043 -5.596 1.978 1.00 63.00 H new ATOM 0 HG1 THR A 720 -6.249 -6.956 0.355 1.00 5.52 H new ATOM 0 HG21 THR A 720 -3.818 -6.600 2.255 1.00 1.13 H new ATOM 0 HG22 THR A 720 -4.539 -6.111 3.807 1.00 1.13 H new ATOM 0 HG23 THR A 720 -4.520 -7.827 3.337 1.00 1.13 H new ATOM 2068 N SER A 721 -7.946 -9.116 2.827 1.00 20.43 N ATOM 2069 CA SER A 721 -8.063 -10.542 2.963 1.00 70.13 C ATOM 2070 C SER A 721 -6.727 -11.222 2.616 1.00 71.00 C ATOM 2071 O SER A 721 -6.434 -12.323 3.086 1.00 43.12 O ATOM 2072 CB SER A 721 -9.148 -11.024 2.027 1.00 50.05 C ATOM 2073 OG SER A 721 -10.325 -10.281 2.241 1.00 2.05 O ATOM 0 H SER A 721 -8.512 -8.728 2.072 1.00 20.43 H new ATOM 0 HA SER A 721 -8.317 -10.796 3.992 1.00 70.13 H new ATOM 0 HB2 SER A 721 -8.823 -10.918 0.992 1.00 50.05 H new ATOM 0 HB3 SER A 721 -9.340 -12.084 2.193 1.00 50.05 H new ATOM 0 HG SER A 721 -10.579 -9.825 1.412 1.00 2.05 H new ATOM 2079 N TYR A 722 -5.912 -10.544 1.793 1.00 32.11 N ATOM 2080 CA TYR A 722 -4.614 -11.079 1.375 1.00 33.21 C ATOM 2081 C TYR A 722 -3.629 -11.183 2.545 1.00 44.44 C ATOM 2082 O TYR A 722 -2.618 -11.859 2.448 1.00 51.55 O ATOM 2083 CB TYR A 722 -4.012 -10.254 0.231 1.00 12.23 C ATOM 2084 CG TYR A 722 -4.769 -10.354 -1.087 1.00 11.41 C ATOM 2085 CD1 TYR A 722 -5.838 -9.510 -1.382 1.00 42.42 C ATOM 2086 CD2 TYR A 722 -4.402 -11.295 -2.041 1.00 3.14 C ATOM 2087 CE1 TYR A 722 -6.515 -9.605 -2.585 1.00 12.40 C ATOM 2088 CE2 TYR A 722 -5.072 -11.396 -3.244 1.00 33.32 C ATOM 2089 CZ TYR A 722 -6.127 -10.550 -3.512 1.00 33.42 C ATOM 2090 OH TYR A 722 -6.796 -10.650 -4.715 1.00 43.41 O ATOM 0 H TYR A 722 -6.132 -9.626 1.406 1.00 32.11 H new ATOM 0 HA TYR A 722 -4.794 -12.090 1.009 1.00 33.21 H new ATOM 0 HB2 TYR A 722 -3.974 -9.208 0.535 1.00 12.23 H new ATOM 0 HB3 TYR A 722 -2.983 -10.576 0.070 1.00 12.23 H new ATOM 0 HD1 TYR A 722 -6.144 -8.768 -0.659 1.00 42.42 H new ATOM 0 HD2 TYR A 722 -3.576 -11.961 -1.838 1.00 3.14 H new ATOM 0 HE1 TYR A 722 -7.342 -8.943 -2.797 1.00 12.40 H new ATOM 0 HE2 TYR A 722 -4.771 -12.135 -3.972 1.00 33.32 H new ATOM 0 HH TYR A 722 -6.396 -11.365 -5.253 1.00 43.41 H new ATOM 2100 N ALA A 723 -3.938 -10.505 3.649 1.00 2.32 N ATOM 2101 CA ALA A 723 -3.114 -10.573 4.851 1.00 11.11 C ATOM 2102 C ALA A 723 -3.452 -11.814 5.711 1.00 23.01 C ATOM 2103 O ALA A 723 -2.973 -11.946 6.845 1.00 24.15 O ATOM 2104 CB ALA A 723 -3.260 -9.298 5.656 1.00 41.51 C ATOM 0 H ALA A 723 -4.756 -9.901 3.734 1.00 2.32 H new ATOM 0 HA ALA A 723 -2.074 -10.675 4.540 1.00 11.11 H new ATOM 0 HB1 ALA A 723 -2.641 -9.360 6.551 1.00 41.51 H new ATOM 0 HB2 ALA A 723 -2.942 -8.448 5.052 1.00 41.51 H new ATOM 0 HB3 ALA A 723 -4.303 -9.167 5.945 1.00 41.51 H new ATOM 2110 N CYS A 724 -4.261 -12.703 5.173 1.00 11.34 N ATOM 2111 CA CYS A 724 -4.590 -13.961 5.846 1.00 14.33 C ATOM 2112 C CYS A 724 -3.883 -15.120 5.180 1.00 10.44 C ATOM 2113 O CYS A 724 -4.031 -15.318 3.972 1.00 22.24 O ATOM 2114 CB CYS A 724 -6.107 -14.258 5.846 1.00 52.03 C ATOM 2115 SG CYS A 724 -7.115 -13.360 7.074 1.00 1.02 S ATOM 0 H CYS A 724 -4.710 -12.584 4.265 1.00 11.34 H new ATOM 0 HA CYS A 724 -4.258 -13.847 6.878 1.00 14.33 H new ATOM 0 HB2 CYS A 724 -6.498 -14.033 4.854 1.00 52.03 H new ATOM 0 HB3 CYS A 724 -6.245 -15.327 6.008 1.00 52.03 H new ATOM 2120 N PRO A 725 -3.108 -15.911 5.947 1.00 22.11 N ATOM 2121 CA PRO A 725 -2.452 -17.086 5.432 1.00 63.51 C ATOM 2122 C PRO A 725 -3.385 -18.291 5.487 1.00 41.32 C ATOM 2123 O PRO A 725 -4.170 -18.494 4.534 1.00 37.15 O ATOM 2124 CB PRO A 725 -1.241 -17.282 6.370 1.00 52.01 C ATOM 2125 CG PRO A 725 -1.464 -16.373 7.550 1.00 41.12 C ATOM 2126 CD PRO A 725 -2.808 -15.711 7.370 1.00 42.22 C ATOM 2127 OXT PRO A 725 -3.373 -19.025 6.503 1.00 37.15 O ATOM 0 HA PRO A 725 -2.157 -16.980 4.388 1.00 63.51 H new ATOM 0 HB2 PRO A 725 -1.162 -18.321 6.690 1.00 52.01 H new ATOM 0 HB3 PRO A 725 -0.310 -17.034 5.859 1.00 52.01 H new ATOM 0 HG2 PRO A 725 -1.438 -16.940 8.480 1.00 41.12 H new ATOM 0 HG3 PRO A 725 -0.674 -15.625 7.611 1.00 41.12 H new ATOM 0 HD2 PRO A 725 -3.567 -16.166 8.007 1.00 42.22 H new ATOM 0 HD3 PRO A 725 -2.770 -14.652 7.626 1.00 42.22 H new