USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 692 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 711 ASN : amide:sc= -1.87! C(o=-4.1!,f=-6.6!) USER MOD Set 1.3: A 715 ASN : amide:sc= -2.22! K(o=-4.1!,f=-6.6) USER MOD Set 2.1: A 644 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.1!) USER MOD Set 2.2: A 714 TYR OH : rot 30:sc= 0.0111 USER MOD Set 3.1: A 663 SER OG : rot 146:sc= 0.167 USER MOD Set 3.2: A 672 THR OG1 : rot 180:sc= 0.164 USER MOD Set 4.1: A 659 ASN : amide:sc= -1.85! C(o=-1.9!,f=-6.9!) USER MOD Set 4.2: A 661 LYS NZ :NH3+ -165:sc= -0.0468 (180deg=-0.274) USER MOD Set 5.1: A 587 THR OG1 : rot 21:sc= 0.485 USER MOD Set 5.2: A 598 GLN : amide:sc= 0.246 K(o=0.73,f=-0.64) USER MOD Single : A 591 ASN : amide:sc= -0.0839 X(o=-0.084,f=-0.23) USER MOD Single : A 593 THR OG1 : rot -73:sc= 1.08 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 609 THR OG1 : rot -75:sc= 1.27 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 22:sc= -1.34! USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -59:sc= 1.52 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-6.6!) USER MOD Single : A 626 ASN : amide:sc= 0.973 K(o=0.97,f=-8.8!) USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot -51:sc= 1.24 USER MOD Single : A 646 SER OG : rot -78:sc= 1.08 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ -128:sc= 1.13 (180deg=0.847) USER MOD Single : A 652 SER OG : rot 180:sc= -0.3 USER MOD Single : A 654 ASN : amide:sc= -0.01 K(o=-0.01,f=-7.8!) USER MOD Single : A 658 SER OG : rot 30:sc= 0.246 USER MOD Single : A 664 TYR OH : rot 107:sc= 0.0553 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 670 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.7!) USER MOD Single : A 673 TYR OH : rot -160:sc= 1.35 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 679 TYR OH : rot -161:sc= -1.89! USER MOD Single : A 685 THR OG1 : rot 35:sc= 0.157 USER MOD Single : A 689 THR OG1 : rot 83:sc= -0.289 USER MOD Single : A 706 TYR OH : rot 50:sc= 0.816 USER MOD Single : A 707 GLN : amide:sc= 0.0105 K(o=0.011,f=-7!) USER MOD Single : A 712 SER OG : rot -1:sc= 1.31 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 30:sc= -0.476! USER MOD Single : A 720 THR OG1 : rot 97:sc= 1.33 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 587 -15.736 -8.850 -0.798 1.00 32.13 N ATOM 137 CA THR A 587 -16.336 -8.623 0.477 1.00 71.33 C ATOM 138 C THR A 587 -15.603 -7.460 1.140 1.00 32.51 C ATOM 139 O THR A 587 -14.380 -7.385 1.066 1.00 52.13 O ATOM 140 CB THR A 587 -16.185 -9.881 1.344 1.00 24.52 C ATOM 141 OG1 THR A 587 -16.607 -11.035 0.589 1.00 45.52 O ATOM 142 CG2 THR A 587 -17.047 -9.772 2.584 1.00 43.44 C ATOM 0 HA THR A 587 -17.396 -8.393 0.365 1.00 71.33 H new ATOM 0 HB THR A 587 -15.140 -9.980 1.637 1.00 24.52 H new ATOM 0 HG1 THR A 587 -16.575 -10.829 -0.369 1.00 45.52 H new ATOM 0 HG21 THR A 587 -16.930 -10.671 3.189 1.00 43.44 H new ATOM 0 HG22 THR A 587 -16.741 -8.902 3.164 1.00 43.44 H new ATOM 0 HG23 THR A 587 -18.092 -9.665 2.293 1.00 43.44 H new ATOM 148 N GLU A 588 -16.319 -6.561 1.754 1.00 22.53 N ATOM 149 CA GLU A 588 -15.687 -5.425 2.366 1.00 14.23 C ATOM 150 C GLU A 588 -15.652 -5.589 3.886 1.00 0.23 C ATOM 151 O GLU A 588 -16.610 -6.072 4.494 1.00 63.20 O ATOM 152 CB GLU A 588 -16.398 -4.137 1.937 1.00 54.11 C ATOM 153 CG GLU A 588 -15.769 -2.860 2.450 1.00 31.04 C ATOM 154 CD GLU A 588 -16.452 -1.638 1.904 1.00 71.31 C ATOM 155 OE1 GLU A 588 -17.414 -1.146 2.527 1.00 65.30 O ATOM 156 OE2 GLU A 588 -16.033 -1.147 0.832 1.00 53.20 O ATOM 0 H GLU A 588 -17.335 -6.591 1.844 1.00 22.53 H new ATOM 0 HA GLU A 588 -14.653 -5.358 2.028 1.00 14.23 H new ATOM 0 HB2 GLU A 588 -16.425 -4.100 0.848 1.00 54.11 H new ATOM 0 HB3 GLU A 588 -17.432 -4.179 2.280 1.00 54.11 H new ATOM 0 HG2 GLU A 588 -15.815 -2.845 3.539 1.00 31.04 H new ATOM 0 HG3 GLU A 588 -14.714 -2.839 2.175 1.00 31.04 H new ATOM 163 N GLY A 589 -14.534 -5.231 4.472 1.00 10.55 N ATOM 164 CA GLY A 589 -14.359 -5.319 5.897 1.00 43.24 C ATOM 165 C GLY A 589 -14.719 -4.028 6.576 1.00 44.11 C ATOM 166 O GLY A 589 -15.370 -3.166 5.976 1.00 71.32 O ATOM 0 H GLY A 589 -13.721 -4.871 3.972 1.00 10.55 H new ATOM 0 HA2 GLY A 589 -14.979 -6.124 6.292 1.00 43.24 H new ATOM 0 HA3 GLY A 589 -13.323 -5.574 6.123 1.00 43.24 H new ATOM 170 N ASP A 590 -14.293 -3.861 7.803 1.00 72.31 N ATOM 171 CA ASP A 590 -14.644 -2.663 8.529 1.00 54.52 C ATOM 172 C ASP A 590 -13.473 -1.746 8.783 1.00 32.21 C ATOM 173 O ASP A 590 -13.116 -0.959 7.922 1.00 31.42 O ATOM 174 CB ASP A 590 -15.450 -2.938 9.802 1.00 63.44 C ATOM 175 CG ASP A 590 -16.791 -3.557 9.508 1.00 35.30 C ATOM 176 OD1 ASP A 590 -17.739 -2.812 9.162 1.00 2.03 O ATOM 177 OD2 ASP A 590 -16.921 -4.803 9.610 1.00 61.20 O ATOM 0 H ASP A 590 -13.713 -4.526 8.314 1.00 72.31 H new ATOM 0 HA ASP A 590 -15.310 -2.121 7.858 1.00 54.52 H new ATOM 0 HB2 ASP A 590 -14.881 -3.602 10.453 1.00 63.44 H new ATOM 0 HB3 ASP A 590 -15.595 -2.005 10.346 1.00 63.44 H new ATOM 182 N ASN A 591 -12.892 -1.809 9.961 1.00 43.21 N ATOM 183 CA ASN A 591 -11.753 -0.950 10.267 1.00 2.02 C ATOM 184 C ASN A 591 -10.433 -1.717 10.309 1.00 21.50 C ATOM 185 O ASN A 591 -10.181 -2.468 11.252 1.00 54.41 O ATOM 186 CB ASN A 591 -11.975 -0.069 11.531 1.00 20.23 C ATOM 187 CG ASN A 591 -12.166 -0.845 12.824 1.00 51.32 C ATOM 188 OD1 ASN A 591 -11.203 -1.140 13.532 1.00 63.05 O ATOM 189 ND2 ASN A 591 -13.398 -1.148 13.161 1.00 11.21 N ATOM 0 H ASN A 591 -13.178 -2.433 10.716 1.00 43.21 H new ATOM 0 HA ASN A 591 -11.675 -0.254 9.432 1.00 2.02 H new ATOM 0 HB2 ASN A 591 -11.120 0.597 11.647 1.00 20.23 H new ATOM 0 HB3 ASN A 591 -12.850 0.560 11.369 1.00 20.23 H new ATOM 0 HD21 ASN A 591 -13.581 -1.643 14.034 1.00 11.21 H new ATOM 0 HD22 ASN A 591 -14.172 -0.888 12.550 1.00 11.21 H new ATOM 195 N CYS A 592 -9.621 -1.590 9.241 1.00 53.44 N ATOM 196 CA CYS A 592 -8.271 -2.210 9.159 1.00 32.10 C ATOM 197 C CYS A 592 -8.347 -3.744 9.178 1.00 24.55 C ATOM 198 O CYS A 592 -7.319 -4.440 9.194 1.00 42.44 O ATOM 199 CB CYS A 592 -7.370 -1.734 10.321 1.00 32.30 C ATOM 200 SG CYS A 592 -7.049 0.064 10.434 1.00 45.11 S ATOM 0 H CYS A 592 -9.876 -1.057 8.409 1.00 53.44 H new ATOM 0 HA CYS A 592 -7.838 -1.893 8.210 1.00 32.10 H new ATOM 0 HB2 CYS A 592 -7.824 -2.057 11.257 1.00 32.30 H new ATOM 0 HB3 CYS A 592 -6.411 -2.246 10.239 1.00 32.30 H new ATOM 205 N THR A 593 -9.551 -4.257 9.147 1.00 13.41 N ATOM 206 CA THR A 593 -9.801 -5.654 9.269 1.00 43.01 C ATOM 207 C THR A 593 -10.876 -6.066 8.288 1.00 34.34 C ATOM 208 O THR A 593 -11.777 -5.271 7.970 1.00 2.14 O ATOM 209 CB THR A 593 -10.289 -5.951 10.711 1.00 33.32 C ATOM 210 OG1 THR A 593 -11.321 -5.012 11.058 1.00 53.32 O ATOM 211 CG2 THR A 593 -9.163 -5.832 11.721 1.00 31.33 C ATOM 0 H THR A 593 -10.395 -3.696 9.034 1.00 13.41 H new ATOM 0 HA THR A 593 -8.887 -6.210 9.059 1.00 43.01 H new ATOM 0 HB THR A 593 -10.665 -6.974 10.736 1.00 33.32 H new ATOM 0 HG1 THR A 593 -10.923 -4.129 11.209 1.00 53.32 H new ATOM 0 HG21 THR A 593 -9.545 -6.047 12.719 1.00 31.33 H new ATOM 0 HG22 THR A 593 -8.375 -6.543 11.473 1.00 31.33 H new ATOM 0 HG23 THR A 593 -8.759 -4.820 11.698 1.00 31.33 H new ATOM 217 N VAL A 594 -10.766 -7.259 7.775 1.00 23.30 N ATOM 218 CA VAL A 594 -11.763 -7.793 6.903 1.00 11.40 C ATOM 219 C VAL A 594 -12.179 -9.182 7.354 1.00 2.42 C ATOM 220 O VAL A 594 -11.336 -9.997 7.746 1.00 5.01 O ATOM 221 CB VAL A 594 -11.322 -7.795 5.399 1.00 20.20 C ATOM 222 CG1 VAL A 594 -10.086 -8.651 5.160 1.00 21.25 C ATOM 223 CG2 VAL A 594 -12.470 -8.218 4.485 1.00 50.54 C ATOM 0 H VAL A 594 -9.981 -7.886 7.952 1.00 23.30 H new ATOM 0 HA VAL A 594 -12.626 -7.130 6.967 1.00 11.40 H new ATOM 0 HB VAL A 594 -11.051 -6.769 5.149 1.00 20.20 H new ATOM 0 HG11 VAL A 594 -9.821 -8.620 4.103 1.00 21.25 H new ATOM 0 HG12 VAL A 594 -9.257 -8.267 5.754 1.00 21.25 H new ATOM 0 HG13 VAL A 594 -10.294 -9.680 5.451 1.00 21.25 H new ATOM 0 HG21 VAL A 594 -12.132 -8.209 3.449 1.00 50.54 H new ATOM 0 HG22 VAL A 594 -12.796 -9.223 4.752 1.00 50.54 H new ATOM 0 HG23 VAL A 594 -13.302 -7.524 4.601 1.00 50.54 H new ATOM 229 N PHE A 595 -13.446 -9.418 7.378 1.00 71.51 N ATOM 230 CA PHE A 595 -13.962 -10.736 7.572 1.00 32.30 C ATOM 231 C PHE A 595 -15.017 -10.980 6.542 1.00 72.35 C ATOM 232 O PHE A 595 -15.904 -10.140 6.340 1.00 52.33 O ATOM 233 CB PHE A 595 -14.485 -11.000 9.000 1.00 62.13 C ATOM 234 CG PHE A 595 -15.132 -12.357 9.110 1.00 74.22 C ATOM 235 CD1 PHE A 595 -14.456 -13.483 8.676 1.00 53.13 C ATOM 236 CD2 PHE A 595 -16.413 -12.503 9.605 1.00 65.43 C ATOM 237 CE1 PHE A 595 -15.026 -14.722 8.728 1.00 60.10 C ATOM 238 CE2 PHE A 595 -16.997 -13.751 9.668 1.00 21.43 C ATOM 239 CZ PHE A 595 -16.303 -14.863 9.227 1.00 42.14 C ATOM 0 H PHE A 595 -14.161 -8.699 7.263 1.00 71.51 H new ATOM 0 HA PHE A 595 -13.141 -11.443 7.452 1.00 32.30 H new ATOM 0 HB2 PHE A 595 -13.660 -10.931 9.709 1.00 62.13 H new ATOM 0 HB3 PHE A 595 -15.206 -10.229 9.273 1.00 62.13 H new ATOM 0 HD1 PHE A 595 -13.454 -13.379 8.287 1.00 53.13 H new ATOM 0 HD2 PHE A 595 -16.960 -11.636 9.944 1.00 65.43 H new ATOM 0 HE1 PHE A 595 -14.480 -15.586 8.380 1.00 60.10 H new ATOM 0 HE2 PHE A 595 -17.997 -13.860 10.062 1.00 21.43 H new ATOM 0 HZ PHE A 595 -16.761 -15.840 9.274 1.00 42.14 H new ATOM 249 N ASP A 596 -14.927 -12.087 5.882 1.00 12.55 N ATOM 250 CA ASP A 596 -15.827 -12.381 4.825 1.00 14.43 C ATOM 251 C ASP A 596 -16.612 -13.644 5.105 1.00 31.23 C ATOM 252 O ASP A 596 -16.094 -14.620 5.636 1.00 72.32 O ATOM 253 CB ASP A 596 -15.057 -12.520 3.539 1.00 51.34 C ATOM 254 CG ASP A 596 -14.331 -13.797 3.430 1.00 35.14 C ATOM 255 OD1 ASP A 596 -13.476 -14.116 4.276 1.00 74.23 O ATOM 256 OD2 ASP A 596 -14.663 -14.515 2.532 1.00 44.22 O ATOM 0 H ASP A 596 -14.229 -12.809 6.062 1.00 12.55 H new ATOM 0 HA ASP A 596 -16.541 -11.562 4.739 1.00 14.43 H new ATOM 0 HB2 ASP A 596 -15.746 -12.429 2.699 1.00 51.34 H new ATOM 0 HB3 ASP A 596 -14.346 -11.698 3.459 1.00 51.34 H new ATOM 261 N SER A 597 -17.870 -13.595 4.805 1.00 43.32 N ATOM 262 CA SER A 597 -18.733 -14.728 4.953 1.00 1.31 C ATOM 263 C SER A 597 -18.478 -15.845 3.907 1.00 72.23 C ATOM 264 O SER A 597 -18.791 -17.012 4.163 1.00 1.22 O ATOM 265 CB SER A 597 -20.188 -14.271 4.984 1.00 34.22 C ATOM 266 OG SER A 597 -20.455 -13.373 3.913 1.00 22.44 O ATOM 0 H SER A 597 -18.334 -12.760 4.447 1.00 43.32 H new ATOM 0 HA SER A 597 -18.497 -15.196 5.909 1.00 1.31 H new ATOM 0 HB2 SER A 597 -20.848 -15.136 4.913 1.00 34.22 H new ATOM 0 HB3 SER A 597 -20.401 -13.784 5.936 1.00 34.22 H new ATOM 0 HG SER A 597 -21.393 -13.092 3.948 1.00 22.44 H new ATOM 272 N GLN A 598 -17.889 -15.502 2.751 1.00 40.22 N ATOM 273 CA GLN A 598 -17.733 -16.488 1.691 1.00 5.43 C ATOM 274 C GLN A 598 -16.571 -17.448 1.940 1.00 62.53 C ATOM 275 O GLN A 598 -16.713 -18.659 1.769 1.00 64.03 O ATOM 276 CB GLN A 598 -17.585 -15.827 0.314 1.00 20.51 C ATOM 277 CG GLN A 598 -16.478 -14.790 0.218 1.00 14.22 C ATOM 278 CD GLN A 598 -16.160 -14.365 -1.197 1.00 2.52 C ATOM 279 OE1 GLN A 598 -16.306 -15.140 -2.150 1.00 30.32 O ATOM 280 NE2 GLN A 598 -15.728 -13.142 -1.356 1.00 70.55 N ATOM 0 H GLN A 598 -17.525 -14.574 2.537 1.00 40.22 H new ATOM 0 HA GLN A 598 -18.651 -17.075 1.699 1.00 5.43 H new ATOM 0 HB2 GLN A 598 -17.401 -16.604 -0.428 1.00 20.51 H new ATOM 0 HB3 GLN A 598 -18.531 -15.353 0.051 1.00 20.51 H new ATOM 0 HG2 GLN A 598 -16.765 -13.911 0.795 1.00 14.22 H new ATOM 0 HG3 GLN A 598 -15.575 -15.192 0.678 1.00 14.22 H new ATOM 0 HE21 GLN A 598 -15.620 -12.530 -0.547 1.00 70.55 H new ATOM 0 HE22 GLN A 598 -15.499 -12.799 -2.289 1.00 70.55 H new ATOM 288 N ALA A 599 -15.452 -16.926 2.363 1.00 14.55 N ATOM 289 CA ALA A 599 -14.297 -17.730 2.635 1.00 74.11 C ATOM 290 C ALA A 599 -14.275 -18.077 4.082 1.00 51.13 C ATOM 291 O ALA A 599 -13.656 -19.064 4.497 1.00 51.34 O ATOM 292 CB ALA A 599 -13.039 -16.932 2.312 1.00 51.22 C ATOM 0 H ALA A 599 -15.318 -15.929 2.528 1.00 14.55 H new ATOM 0 HA ALA A 599 -14.333 -18.635 2.028 1.00 74.11 H new ATOM 0 HB1 ALA A 599 -12.159 -17.541 2.518 1.00 51.22 H new ATOM 0 HB2 ALA A 599 -13.047 -16.650 1.259 1.00 51.22 H new ATOM 0 HB3 ALA A 599 -13.010 -16.033 2.928 1.00 51.22 H new ATOM 298 N GLY A 600 -14.987 -17.274 4.850 1.00 1.15 N ATOM 299 CA GLY A 600 -15.061 -17.458 6.255 1.00 63.33 C ATOM 300 C GLY A 600 -13.736 -17.195 6.911 1.00 21.25 C ATOM 301 O GLY A 600 -13.392 -17.848 7.915 1.00 2.04 O ATOM 0 H GLY A 600 -15.524 -16.481 4.500 1.00 1.15 H new ATOM 0 HA2 GLY A 600 -15.815 -16.790 6.672 1.00 63.33 H new ATOM 0 HA3 GLY A 600 -15.382 -18.476 6.474 1.00 63.33 H new ATOM 305 N PHE A 601 -12.971 -16.258 6.372 1.00 73.14 N ATOM 306 CA PHE A 601 -11.671 -15.986 6.936 1.00 35.22 C ATOM 307 C PHE A 601 -11.556 -14.595 7.444 1.00 41.11 C ATOM 308 O PHE A 601 -11.955 -13.637 6.790 1.00 23.44 O ATOM 309 CB PHE A 601 -10.515 -16.295 5.988 1.00 40.51 C ATOM 310 CG PHE A 601 -10.313 -17.746 5.686 1.00 44.52 C ATOM 311 CD1 PHE A 601 -9.925 -18.623 6.682 1.00 73.23 C ATOM 312 CD2 PHE A 601 -10.484 -18.228 4.411 1.00 72.34 C ATOM 313 CE1 PHE A 601 -9.719 -19.956 6.408 1.00 41.53 C ATOM 314 CE2 PHE A 601 -10.283 -19.563 4.124 1.00 72.42 C ATOM 315 CZ PHE A 601 -9.900 -20.427 5.127 1.00 51.03 C ATOM 0 H PHE A 601 -13.225 -15.689 5.564 1.00 73.14 H new ATOM 0 HA PHE A 601 -11.588 -16.672 7.779 1.00 35.22 H new ATOM 0 HB2 PHE A 601 -10.682 -15.765 5.051 1.00 40.51 H new ATOM 0 HB3 PHE A 601 -9.596 -15.898 6.419 1.00 40.51 H new ATOM 0 HD1 PHE A 601 -9.782 -18.257 7.688 1.00 73.23 H new ATOM 0 HD2 PHE A 601 -10.780 -17.553 3.622 1.00 72.34 H new ATOM 0 HE1 PHE A 601 -9.416 -20.630 7.195 1.00 41.53 H new ATOM 0 HE2 PHE A 601 -10.425 -19.929 3.118 1.00 72.42 H new ATOM 0 HZ PHE A 601 -9.742 -21.473 4.908 1.00 51.03 H new ATOM 325 N SER A 602 -11.031 -14.477 8.617 1.00 64.35 N ATOM 326 CA SER A 602 -10.821 -13.206 9.180 1.00 25.44 C ATOM 327 C SER A 602 -9.375 -12.809 8.912 1.00 13.12 C ATOM 328 O SER A 602 -8.439 -13.589 9.163 1.00 34.31 O ATOM 329 CB SER A 602 -11.137 -13.258 10.686 1.00 4.22 C ATOM 330 OG SER A 602 -10.985 -11.993 11.313 1.00 51.53 O ATOM 0 H SER A 602 -10.740 -15.260 9.202 1.00 64.35 H new ATOM 0 HA SER A 602 -11.478 -12.458 8.736 1.00 25.44 H new ATOM 0 HB2 SER A 602 -12.158 -13.611 10.829 1.00 4.22 H new ATOM 0 HB3 SER A 602 -10.479 -13.981 11.168 1.00 4.22 H new ATOM 0 HG SER A 602 -11.197 -12.073 12.266 1.00 51.53 H new ATOM 336 N PHE A 603 -9.198 -11.632 8.396 1.00 72.14 N ATOM 337 CA PHE A 603 -7.900 -11.108 8.093 1.00 70.33 C ATOM 338 C PHE A 603 -7.749 -9.709 8.667 1.00 3.54 C ATOM 339 O PHE A 603 -8.528 -8.800 8.342 1.00 12.35 O ATOM 340 CB PHE A 603 -7.651 -11.085 6.560 1.00 72.24 C ATOM 341 CG PHE A 603 -7.413 -12.432 5.904 1.00 0.24 C ATOM 342 CD1 PHE A 603 -6.139 -12.972 5.903 1.00 12.34 C ATOM 343 CD2 PHE A 603 -8.438 -13.151 5.265 1.00 62.30 C ATOM 344 CE1 PHE A 603 -5.875 -14.182 5.298 1.00 23.34 C ATOM 345 CE2 PHE A 603 -8.163 -14.364 4.663 1.00 60.10 C ATOM 346 CZ PHE A 603 -6.886 -14.877 4.681 1.00 71.11 C ATOM 0 H PHE A 603 -9.963 -10.997 8.169 1.00 72.14 H new ATOM 0 HA PHE A 603 -7.157 -11.762 8.550 1.00 70.33 H new ATOM 0 HB2 PHE A 603 -8.510 -10.616 6.080 1.00 72.24 H new ATOM 0 HB3 PHE A 603 -6.788 -10.449 6.362 1.00 72.24 H new ATOM 0 HD1 PHE A 603 -5.336 -12.435 6.386 1.00 12.34 H new ATOM 0 HD2 PHE A 603 -9.442 -12.755 5.245 1.00 62.30 H new ATOM 0 HE1 PHE A 603 -4.873 -14.584 5.309 1.00 23.34 H new ATOM 0 HE2 PHE A 603 -8.955 -14.913 4.175 1.00 60.10 H new ATOM 0 HZ PHE A 603 -6.679 -15.826 4.210 1.00 71.11 H new ATOM 356 N ASP A 604 -6.772 -9.540 9.518 1.00 74.33 N ATOM 357 CA ASP A 604 -6.469 -8.247 10.085 1.00 53.42 C ATOM 358 C ASP A 604 -5.096 -7.807 9.653 1.00 64.31 C ATOM 359 O ASP A 604 -4.101 -8.509 9.860 1.00 53.44 O ATOM 360 CB ASP A 604 -6.636 -8.197 11.631 1.00 61.34 C ATOM 361 CG ASP A 604 -5.756 -9.150 12.415 1.00 34.21 C ATOM 362 OD1 ASP A 604 -6.179 -10.299 12.657 1.00 24.33 O ATOM 363 OD2 ASP A 604 -4.665 -8.755 12.851 1.00 11.34 O ATOM 0 H ASP A 604 -6.163 -10.292 9.839 1.00 74.33 H new ATOM 0 HA ASP A 604 -7.204 -7.542 9.697 1.00 53.42 H new ATOM 0 HB2 ASP A 604 -6.431 -7.181 11.968 1.00 61.34 H new ATOM 0 HB3 ASP A 604 -7.677 -8.409 11.873 1.00 61.34 H new ATOM 368 N LEU A 605 -5.044 -6.675 9.000 1.00 44.24 N ATOM 369 CA LEU A 605 -3.794 -6.149 8.489 1.00 24.44 C ATOM 370 C LEU A 605 -3.331 -4.969 9.330 1.00 33.21 C ATOM 371 O LEU A 605 -2.599 -4.109 8.870 1.00 54.14 O ATOM 372 CB LEU A 605 -3.941 -5.765 7.014 1.00 62.24 C ATOM 373 CG LEU A 605 -4.360 -6.902 6.061 1.00 2.30 C ATOM 374 CD1 LEU A 605 -4.354 -6.429 4.629 1.00 21.44 C ATOM 375 CD2 LEU A 605 -3.461 -8.120 6.216 1.00 61.13 C ATOM 0 H LEU A 605 -5.858 -6.091 8.806 1.00 44.24 H new ATOM 0 HA LEU A 605 -3.030 -6.924 8.557 1.00 24.44 H new ATOM 0 HB2 LEU A 605 -4.677 -4.964 6.939 1.00 62.24 H new ATOM 0 HB3 LEU A 605 -2.991 -5.359 6.668 1.00 62.24 H new ATOM 0 HG LEU A 605 -5.375 -7.196 6.330 1.00 2.30 H new ATOM 0 HD11 LEU A 605 -4.653 -7.248 3.974 1.00 21.44 H new ATOM 0 HD12 LEU A 605 -5.053 -5.601 4.517 1.00 21.44 H new ATOM 0 HD13 LEU A 605 -3.351 -6.096 4.360 1.00 21.44 H new ATOM 0 HD21 LEU A 605 -3.786 -8.902 5.529 1.00 61.13 H new ATOM 0 HD22 LEU A 605 -2.431 -7.843 5.990 1.00 61.13 H new ATOM 0 HD23 LEU A 605 -3.521 -8.489 7.240 1.00 61.13 H new ATOM 383 N THR A 606 -3.715 -4.992 10.574 1.00 50.21 N ATOM 384 CA THR A 606 -3.397 -3.957 11.534 1.00 4.43 C ATOM 385 C THR A 606 -1.865 -3.742 11.776 1.00 35.33 C ATOM 386 O THR A 606 -1.428 -2.595 11.859 1.00 60.31 O ATOM 387 CB THR A 606 -4.178 -4.169 12.849 1.00 21.00 C ATOM 388 OG1 THR A 606 -4.044 -5.533 13.265 1.00 62.24 O ATOM 389 CG2 THR A 606 -5.649 -3.856 12.646 1.00 62.02 C ATOM 0 H THR A 606 -4.274 -5.750 10.966 1.00 50.21 H new ATOM 0 HA THR A 606 -3.728 -3.020 11.085 1.00 4.43 H new ATOM 0 HB THR A 606 -3.773 -3.502 13.610 1.00 21.00 H new ATOM 0 HG1 THR A 606 -4.538 -5.670 14.100 1.00 62.24 H new ATOM 0 HG21 THR A 606 -6.186 -4.010 13.582 1.00 62.02 H new ATOM 0 HG22 THR A 606 -5.760 -2.819 12.330 1.00 62.02 H new ATOM 0 HG23 THR A 606 -6.059 -4.514 11.880 1.00 62.02 H new ATOM 395 N PRO A 607 -1.011 -4.828 11.881 1.00 4.55 N ATOM 396 CA PRO A 607 0.451 -4.657 12.015 1.00 71.45 C ATOM 397 C PRO A 607 1.053 -4.009 10.764 1.00 62.13 C ATOM 398 O PRO A 607 2.147 -3.450 10.799 1.00 73.31 O ATOM 399 CB PRO A 607 0.980 -6.091 12.165 1.00 34.33 C ATOM 400 CG PRO A 607 -0.195 -6.890 12.593 1.00 70.11 C ATOM 401 CD PRO A 607 -1.378 -6.263 11.929 1.00 54.40 C ATOM 0 HA PRO A 607 0.711 -4.009 12.852 1.00 71.45 H new ATOM 0 HB2 PRO A 607 1.388 -6.462 11.225 1.00 34.33 H new ATOM 0 HB3 PRO A 607 1.781 -6.141 12.902 1.00 34.33 H new ATOM 0 HG2 PRO A 607 -0.087 -7.933 12.296 1.00 70.11 H new ATOM 0 HG3 PRO A 607 -0.303 -6.877 13.678 1.00 70.11 H new ATOM 0 HD2 PRO A 607 -1.544 -6.671 10.932 1.00 54.40 H new ATOM 0 HD3 PRO A 607 -2.294 -6.427 12.497 1.00 54.40 H new ATOM 409 N LEU A 608 0.322 -4.089 9.669 1.00 0.44 N ATOM 410 CA LEU A 608 0.754 -3.532 8.403 1.00 63.42 C ATOM 411 C LEU A 608 0.574 -2.028 8.384 1.00 71.02 C ATOM 412 O LEU A 608 1.136 -1.345 7.548 1.00 2.15 O ATOM 413 CB LEU A 608 0.022 -4.177 7.207 1.00 42.52 C ATOM 414 CG LEU A 608 0.379 -5.631 6.847 1.00 5.24 C ATOM 415 CD1 LEU A 608 -0.025 -6.609 7.935 1.00 50.22 C ATOM 416 CD2 LEU A 608 -0.238 -6.014 5.513 1.00 31.14 C ATOM 0 H LEU A 608 -0.590 -4.543 9.633 1.00 0.44 H new ATOM 0 HA LEU A 608 1.815 -3.759 8.300 1.00 63.42 H new ATOM 0 HB2 LEU A 608 -1.049 -4.135 7.407 1.00 42.52 H new ATOM 0 HB3 LEU A 608 0.207 -3.559 6.328 1.00 42.52 H new ATOM 0 HG LEU A 608 1.464 -5.688 6.760 1.00 5.24 H new ATOM 0 HD11 LEU A 608 0.248 -7.621 7.634 1.00 50.22 H new ATOM 0 HD12 LEU A 608 0.489 -6.355 8.862 1.00 50.22 H new ATOM 0 HD13 LEU A 608 -1.102 -6.555 8.091 1.00 50.22 H new ATOM 0 HD21 LEU A 608 0.024 -7.045 5.273 1.00 31.14 H new ATOM 0 HD22 LEU A 608 -1.322 -5.920 5.573 1.00 31.14 H new ATOM 0 HD23 LEU A 608 0.141 -5.353 4.734 1.00 31.14 H new ATOM 424 N THR A 609 -0.224 -1.536 9.282 1.00 13.43 N ATOM 425 CA THR A 609 -0.437 -0.125 9.424 1.00 14.12 C ATOM 426 C THR A 609 0.765 0.482 10.137 1.00 72.44 C ATOM 427 O THR A 609 1.184 -0.002 11.196 1.00 22.03 O ATOM 428 CB THR A 609 -1.703 0.125 10.253 1.00 4.13 C ATOM 429 OG1 THR A 609 -2.780 -0.666 9.730 1.00 31.20 O ATOM 430 CG2 THR A 609 -2.103 1.586 10.211 1.00 34.43 C ATOM 0 H THR A 609 -0.751 -2.106 9.943 1.00 13.43 H new ATOM 0 HA THR A 609 -0.558 0.331 8.442 1.00 14.12 H new ATOM 0 HB THR A 609 -1.494 -0.152 11.286 1.00 4.13 H new ATOM 0 HG1 THR A 609 -3.101 -0.269 8.893 1.00 31.20 H new ATOM 0 HG21 THR A 609 -3.003 1.734 10.807 1.00 34.43 H new ATOM 0 HG22 THR A 609 -1.295 2.196 10.616 1.00 34.43 H new ATOM 0 HG23 THR A 609 -2.298 1.880 9.180 1.00 34.43 H new ATOM 436 N LYS A 610 1.328 1.507 9.564 1.00 15.33 N ATOM 437 CA LYS A 610 2.457 2.159 10.158 1.00 5.50 C ATOM 438 C LYS A 610 2.286 3.660 10.154 1.00 45.32 C ATOM 439 O LYS A 610 1.751 4.222 9.209 1.00 52.02 O ATOM 440 CB LYS A 610 3.741 1.841 9.392 1.00 23.23 C ATOM 441 CG LYS A 610 4.186 0.393 9.387 1.00 72.51 C ATOM 442 CD LYS A 610 5.533 0.266 8.693 1.00 53.34 C ATOM 443 CE LYS A 610 6.061 -1.160 8.703 1.00 22.05 C ATOM 444 NZ LYS A 610 7.341 -1.269 7.970 1.00 43.25 N ATOM 0 H LYS A 610 1.020 1.911 8.679 1.00 15.33 H new ATOM 0 HA LYS A 610 2.525 1.791 11.182 1.00 5.50 H new ATOM 0 HB2 LYS A 610 3.609 2.161 8.358 1.00 23.23 H new ATOM 0 HB3 LYS A 610 4.546 2.444 9.812 1.00 23.23 H new ATOM 0 HG2 LYS A 610 4.258 0.022 10.410 1.00 72.51 H new ATOM 0 HG3 LYS A 610 3.445 -0.222 8.876 1.00 72.51 H new ATOM 0 HD2 LYS A 610 5.441 0.609 7.662 1.00 53.34 H new ATOM 0 HD3 LYS A 610 6.254 0.920 9.183 1.00 53.34 H new ATOM 0 HE2 LYS A 610 6.201 -1.490 9.732 1.00 22.05 H new ATOM 0 HE3 LYS A 610 5.324 -1.825 8.252 1.00 22.05 H new ATOM 0 HZ1 LYS A 610 7.673 -2.254 7.996 1.00 43.25 H new ATOM 0 HZ2 LYS A 610 7.201 -0.977 6.982 1.00 43.25 H new ATOM 0 HZ3 LYS A 610 8.050 -0.653 8.416 1.00 43.25 H new ATOM 458 N LYS A 611 2.747 4.307 11.216 1.00 14.41 N ATOM 459 CA LYS A 611 2.838 5.769 11.238 1.00 31.20 C ATOM 460 C LYS A 611 3.965 6.171 10.311 1.00 30.50 C ATOM 461 O LYS A 611 3.943 7.222 9.681 1.00 4.25 O ATOM 462 CB LYS A 611 3.140 6.327 12.645 1.00 41.33 C ATOM 463 CG LYS A 611 2.005 6.404 13.693 1.00 25.44 C ATOM 464 CD LYS A 611 1.401 5.075 14.188 1.00 62.45 C ATOM 465 CE LYS A 611 0.396 4.455 13.223 1.00 33.14 C ATOM 466 NZ LYS A 611 -0.207 3.226 13.791 1.00 60.13 N ATOM 0 H LYS A 611 3.063 3.850 12.071 1.00 14.41 H new ATOM 0 HA LYS A 611 1.876 6.175 10.927 1.00 31.20 H new ATOM 0 HB2 LYS A 611 3.939 5.721 13.072 1.00 41.33 H new ATOM 0 HB3 LYS A 611 3.537 7.334 12.519 1.00 41.33 H new ATOM 0 HG2 LYS A 611 2.384 6.945 14.560 1.00 25.44 H new ATOM 0 HG3 LYS A 611 1.198 7.004 13.271 1.00 25.44 H new ATOM 0 HD2 LYS A 611 2.208 4.364 14.363 1.00 62.45 H new ATOM 0 HD3 LYS A 611 0.912 5.245 15.147 1.00 62.45 H new ATOM 0 HE2 LYS A 611 -0.389 5.177 12.998 1.00 33.14 H new ATOM 0 HE3 LYS A 611 0.891 4.218 12.281 1.00 33.14 H new ATOM 0 HZ1 LYS A 611 -0.886 2.827 13.112 1.00 60.13 H new ATOM 0 HZ2 LYS A 611 0.541 2.529 13.983 1.00 60.13 H new ATOM 0 HZ3 LYS A 611 -0.699 3.458 14.677 1.00 60.13 H new ATOM 480 N ASP A 612 4.947 5.281 10.255 1.00 74.53 N ATOM 481 CA ASP A 612 6.158 5.421 9.421 1.00 32.34 C ATOM 482 C ASP A 612 5.793 5.523 7.958 1.00 64.20 C ATOM 483 O ASP A 612 6.457 6.236 7.191 1.00 52.12 O ATOM 484 CB ASP A 612 7.072 4.193 9.588 1.00 51.20 C ATOM 485 CG ASP A 612 7.533 3.964 11.001 1.00 23.04 C ATOM 486 OD1 ASP A 612 8.564 4.545 11.405 1.00 4.11 O ATOM 487 OD2 ASP A 612 6.869 3.194 11.733 1.00 51.31 O ATOM 0 H ASP A 612 4.934 4.417 10.797 1.00 74.53 H new ATOM 0 HA ASP A 612 6.672 6.326 9.745 1.00 32.34 H new ATOM 0 HB2 ASP A 612 6.540 3.307 9.242 1.00 51.20 H new ATOM 0 HB3 ASP A 612 7.945 4.312 8.946 1.00 51.20 H new ATOM 492 N ALA A 613 4.715 4.809 7.588 1.00 24.31 N ATOM 493 CA ALA A 613 4.206 4.737 6.224 1.00 30.31 C ATOM 494 C ALA A 613 5.140 3.963 5.301 1.00 11.41 C ATOM 495 O ALA A 613 6.332 3.783 5.581 1.00 23.12 O ATOM 496 CB ALA A 613 3.914 6.119 5.663 1.00 20.03 C ATOM 0 H ALA A 613 4.168 4.258 8.249 1.00 24.31 H new ATOM 0 HA ALA A 613 3.266 4.187 6.271 1.00 30.31 H new ATOM 0 HB1 ALA A 613 3.536 6.026 4.645 1.00 20.03 H new ATOM 0 HB2 ALA A 613 3.166 6.613 6.284 1.00 20.03 H new ATOM 0 HB3 ALA A 613 4.830 6.710 5.658 1.00 20.03 H new ATOM 502 N TYR A 614 4.602 3.505 4.216 1.00 0.52 N ATOM 503 CA TYR A 614 5.362 2.779 3.236 1.00 60.34 C ATOM 504 C TYR A 614 5.564 3.653 2.021 1.00 0.33 C ATOM 505 O TYR A 614 4.593 4.197 1.477 1.00 31.45 O ATOM 506 CB TYR A 614 4.617 1.512 2.823 1.00 74.13 C ATOM 507 CG TYR A 614 4.425 0.477 3.917 1.00 55.12 C ATOM 508 CD1 TYR A 614 3.527 0.674 4.968 1.00 51.22 C ATOM 509 CD2 TYR A 614 5.131 -0.720 3.886 1.00 53.33 C ATOM 510 CE1 TYR A 614 3.353 -0.269 5.924 1.00 24.03 C ATOM 511 CE2 TYR A 614 4.948 -1.680 4.853 1.00 54.23 C ATOM 512 CZ TYR A 614 4.053 -1.444 5.870 1.00 41.01 C ATOM 513 OH TYR A 614 3.852 -2.382 6.840 1.00 32.51 O ATOM 0 H TYR A 614 3.617 3.622 3.979 1.00 0.52 H new ATOM 0 HA TYR A 614 6.325 2.502 3.665 1.00 60.34 H new ATOM 0 HB2 TYR A 614 3.637 1.797 2.441 1.00 74.13 H new ATOM 0 HB3 TYR A 614 5.157 1.047 1.999 1.00 74.13 H new ATOM 0 HD1 TYR A 614 2.962 1.593 5.019 1.00 51.22 H new ATOM 0 HD2 TYR A 614 5.836 -0.899 3.088 1.00 53.33 H new ATOM 0 HE1 TYR A 614 2.659 -0.093 6.733 1.00 24.03 H new ATOM 0 HE2 TYR A 614 5.500 -2.607 4.814 1.00 54.23 H new ATOM 0 HH TYR A 614 2.979 -2.235 7.261 1.00 32.51 H new ATOM 523 N LYS A 615 6.795 3.820 1.610 1.00 23.55 N ATOM 524 CA LYS A 615 7.080 4.592 0.434 1.00 24.13 C ATOM 525 C LYS A 615 7.569 3.685 -0.679 1.00 10.12 C ATOM 526 O LYS A 615 8.385 2.782 -0.451 1.00 13.21 O ATOM 527 CB LYS A 615 8.151 5.674 0.687 1.00 4.40 C ATOM 528 CG LYS A 615 8.465 6.511 -0.547 1.00 71.41 C ATOM 529 CD LYS A 615 9.837 7.184 -0.436 1.00 64.25 C ATOM 530 CE LYS A 615 9.991 8.056 0.783 1.00 3.53 C ATOM 531 NZ LYS A 615 11.329 8.662 0.879 1.00 0.11 N ATOM 0 H LYS A 615 7.615 3.430 2.075 1.00 23.55 H new ATOM 0 HA LYS A 615 6.151 5.086 0.151 1.00 24.13 H new ATOM 0 HB2 LYS A 615 7.811 6.332 1.487 1.00 4.40 H new ATOM 0 HB3 LYS A 615 9.066 5.195 1.035 1.00 4.40 H new ATOM 0 HG2 LYS A 615 8.440 5.877 -1.433 1.00 71.41 H new ATOM 0 HG3 LYS A 615 7.695 7.272 -0.677 1.00 71.41 H new ATOM 0 HD2 LYS A 615 10.608 6.414 -0.420 1.00 64.25 H new ATOM 0 HD3 LYS A 615 10.008 7.788 -1.327 1.00 64.25 H new ATOM 0 HE2 LYS A 615 9.240 8.845 0.758 1.00 3.53 H new ATOM 0 HE3 LYS A 615 9.800 7.462 1.677 1.00 3.53 H new ATOM 0 HZ1 LYS A 615 11.383 9.252 1.734 1.00 0.11 H new ATOM 0 HZ2 LYS A 615 12.047 7.912 0.930 1.00 0.11 H new ATOM 0 HZ3 LYS A 615 11.504 9.252 0.040 1.00 0.11 H new ATOM 545 N VAL A 616 7.051 3.909 -1.844 1.00 13.42 N ATOM 546 CA VAL A 616 7.513 3.264 -3.037 1.00 33.43 C ATOM 547 C VAL A 616 8.176 4.346 -3.865 1.00 34.33 C ATOM 548 O VAL A 616 7.641 5.452 -3.971 1.00 11.20 O ATOM 549 CB VAL A 616 6.345 2.672 -3.856 1.00 11.23 C ATOM 550 CG1 VAL A 616 6.857 1.913 -5.078 1.00 14.24 C ATOM 551 CG2 VAL A 616 5.450 1.789 -2.997 1.00 14.11 C ATOM 0 H VAL A 616 6.279 4.558 -1.999 1.00 13.42 H new ATOM 0 HA VAL A 616 8.185 2.445 -2.781 1.00 33.43 H new ATOM 0 HB VAL A 616 5.739 3.506 -4.210 1.00 11.23 H new ATOM 0 HG11 VAL A 616 6.012 1.508 -5.635 1.00 14.24 H new ATOM 0 HG12 VAL A 616 7.421 2.592 -5.718 1.00 14.24 H new ATOM 0 HG13 VAL A 616 7.504 1.097 -4.755 1.00 14.24 H new ATOM 0 HG21 VAL A 616 4.639 1.390 -3.607 1.00 14.11 H new ATOM 0 HG22 VAL A 616 6.036 0.966 -2.588 1.00 14.11 H new ATOM 0 HG23 VAL A 616 5.033 2.378 -2.180 1.00 14.11 H new ATOM 557 N GLU A 617 9.301 4.064 -4.417 1.00 55.11 N ATOM 558 CA GLU A 617 10.025 5.044 -5.185 1.00 53.32 C ATOM 559 C GLU A 617 10.100 4.641 -6.631 1.00 42.10 C ATOM 560 O GLU A 617 10.306 3.472 -6.953 1.00 14.14 O ATOM 561 CB GLU A 617 11.434 5.253 -4.622 1.00 31.24 C ATOM 562 CG GLU A 617 11.457 5.838 -3.225 1.00 52.33 C ATOM 563 CD GLU A 617 12.851 5.994 -2.676 1.00 52.01 C ATOM 564 OE1 GLU A 617 13.544 6.980 -3.041 1.00 33.05 O ATOM 565 OE2 GLU A 617 13.275 5.147 -1.873 1.00 70.51 O ATOM 0 H GLU A 617 9.755 3.153 -4.357 1.00 55.11 H new ATOM 0 HA GLU A 617 9.483 5.987 -5.114 1.00 53.32 H new ATOM 0 HB2 GLU A 617 11.957 4.296 -4.613 1.00 31.24 H new ATOM 0 HB3 GLU A 617 11.987 5.912 -5.290 1.00 31.24 H new ATOM 0 HG2 GLU A 617 10.966 6.811 -3.236 1.00 52.33 H new ATOM 0 HG3 GLU A 617 10.880 5.197 -2.559 1.00 52.33 H new ATOM 572 N THR A 618 9.913 5.595 -7.499 1.00 51.14 N ATOM 573 CA THR A 618 10.029 5.368 -8.900 1.00 10.05 C ATOM 574 C THR A 618 11.124 6.294 -9.387 1.00 60.21 C ATOM 575 O THR A 618 11.893 6.814 -8.561 1.00 55.33 O ATOM 576 CB THR A 618 8.684 5.655 -9.638 1.00 44.55 C ATOM 577 OG1 THR A 618 8.308 7.011 -9.441 1.00 15.44 O ATOM 578 CG2 THR A 618 7.568 4.767 -9.110 1.00 53.20 C ATOM 0 H THR A 618 9.675 6.554 -7.247 1.00 51.14 H new ATOM 0 HA THR A 618 10.270 4.325 -9.107 1.00 10.05 H new ATOM 0 HB THR A 618 8.835 5.449 -10.698 1.00 44.55 H new ATOM 0 HG1 THR A 618 8.217 7.189 -8.482 1.00 15.44 H new ATOM 0 HG21 THR A 618 6.643 4.989 -9.643 1.00 53.20 H new ATOM 0 HG22 THR A 618 7.832 3.721 -9.263 1.00 53.20 H new ATOM 0 HG23 THR A 618 7.427 4.954 -8.045 1.00 53.20 H new ATOM 584 N ASP A 619 11.216 6.509 -10.667 1.00 12.34 N ATOM 585 CA ASP A 619 12.248 7.371 -11.199 1.00 53.44 C ATOM 586 C ASP A 619 12.074 8.814 -10.712 1.00 33.52 C ATOM 587 O ASP A 619 13.034 9.449 -10.282 1.00 71.43 O ATOM 588 CB ASP A 619 12.279 7.311 -12.728 1.00 41.55 C ATOM 589 CG ASP A 619 13.431 8.093 -13.325 1.00 35.32 C ATOM 590 OD1 ASP A 619 14.546 7.541 -13.402 1.00 13.02 O ATOM 591 OD2 ASP A 619 13.236 9.257 -13.729 1.00 65.12 O ATOM 0 H ASP A 619 10.594 6.103 -11.366 1.00 12.34 H new ATOM 0 HA ASP A 619 13.206 7.008 -10.827 1.00 53.44 H new ATOM 0 HB2 ASP A 619 12.350 6.270 -13.044 1.00 41.55 H new ATOM 0 HB3 ASP A 619 11.340 7.700 -13.121 1.00 41.55 H new ATOM 596 N LYS A 620 10.846 9.322 -10.739 1.00 42.44 N ATOM 597 CA LYS A 620 10.612 10.720 -10.345 1.00 32.45 C ATOM 598 C LYS A 620 9.528 10.862 -9.285 1.00 41.35 C ATOM 599 O LYS A 620 9.328 11.946 -8.751 1.00 10.45 O ATOM 600 CB LYS A 620 10.217 11.567 -11.559 1.00 51.15 C ATOM 601 CG LYS A 620 11.207 11.576 -12.713 1.00 72.31 C ATOM 602 CD LYS A 620 10.649 12.328 -13.924 1.00 34.42 C ATOM 603 CE LYS A 620 9.345 11.694 -14.424 1.00 52.41 C ATOM 604 NZ LYS A 620 8.818 12.360 -15.631 1.00 41.54 N ATOM 0 H LYS A 620 10.012 8.807 -11.021 1.00 42.44 H new ATOM 0 HA LYS A 620 11.553 11.073 -9.922 1.00 32.45 H new ATOM 0 HB2 LYS A 620 9.258 11.208 -11.932 1.00 51.15 H new ATOM 0 HB3 LYS A 620 10.066 12.594 -11.227 1.00 51.15 H new ATOM 0 HG2 LYS A 620 12.138 12.042 -12.391 1.00 72.31 H new ATOM 0 HG3 LYS A 620 11.445 10.551 -12.998 1.00 72.31 H new ATOM 0 HD2 LYS A 620 10.470 13.369 -13.657 1.00 34.42 H new ATOM 0 HD3 LYS A 620 11.387 12.327 -14.726 1.00 34.42 H new ATOM 0 HE2 LYS A 620 9.517 10.640 -14.641 1.00 52.41 H new ATOM 0 HE3 LYS A 620 8.597 11.738 -13.633 1.00 52.41 H new ATOM 0 HZ1 LYS A 620 7.937 11.894 -15.928 1.00 41.54 H new ATOM 0 HZ2 LYS A 620 8.627 13.360 -15.420 1.00 41.54 H new ATOM 0 HZ3 LYS A 620 9.519 12.296 -16.397 1.00 41.54 H new ATOM 618 N TYR A 621 8.828 9.818 -8.991 1.00 23.20 N ATOM 619 CA TYR A 621 7.736 9.909 -8.035 1.00 72.04 C ATOM 620 C TYR A 621 7.955 8.980 -6.883 1.00 64.35 C ATOM 621 O TYR A 621 8.660 7.976 -7.007 1.00 44.11 O ATOM 622 CB TYR A 621 6.371 9.596 -8.710 1.00 53.10 C ATOM 623 CG TYR A 621 5.885 10.641 -9.711 1.00 14.00 C ATOM 624 CD1 TYR A 621 6.699 11.080 -10.735 1.00 41.45 C ATOM 625 CD2 TYR A 621 4.610 11.174 -9.622 1.00 54.44 C ATOM 626 CE1 TYR A 621 6.282 12.016 -11.640 1.00 41.13 C ATOM 627 CE2 TYR A 621 4.171 12.119 -10.532 1.00 41.34 C ATOM 628 CZ TYR A 621 5.017 12.535 -11.541 1.00 2.14 C ATOM 629 OH TYR A 621 4.598 13.484 -12.446 1.00 30.51 O ATOM 0 H TYR A 621 8.978 8.890 -9.387 1.00 23.20 H new ATOM 0 HA TYR A 621 7.714 10.933 -7.663 1.00 72.04 H new ATOM 0 HB2 TYR A 621 6.448 8.636 -9.220 1.00 53.10 H new ATOM 0 HB3 TYR A 621 5.616 9.484 -7.932 1.00 53.10 H new ATOM 0 HD1 TYR A 621 7.695 10.672 -10.824 1.00 41.45 H new ATOM 0 HD2 TYR A 621 3.950 10.848 -8.832 1.00 54.44 H new ATOM 0 HE1 TYR A 621 6.944 12.344 -12.427 1.00 41.13 H new ATOM 0 HE2 TYR A 621 3.175 12.528 -10.454 1.00 41.34 H new ATOM 0 HH TYR A 621 3.677 13.749 -12.240 1.00 30.51 H new ATOM 639 N GLU A 622 7.395 9.314 -5.780 1.00 3.43 N ATOM 640 CA GLU A 622 7.410 8.469 -4.642 1.00 21.10 C ATOM 641 C GLU A 622 5.996 8.390 -4.143 1.00 55.21 C ATOM 642 O GLU A 622 5.238 9.380 -4.198 1.00 25.34 O ATOM 643 CB GLU A 622 8.352 8.979 -3.542 1.00 44.24 C ATOM 644 CG GLU A 622 7.906 10.268 -2.918 1.00 64.52 C ATOM 645 CD GLU A 622 8.844 10.781 -1.863 1.00 43.03 C ATOM 646 OE1 GLU A 622 8.678 10.412 -0.676 1.00 42.30 O ATOM 647 OE2 GLU A 622 9.734 11.563 -2.185 1.00 3.12 O ATOM 0 H GLU A 622 6.905 10.197 -5.639 1.00 3.43 H new ATOM 0 HA GLU A 622 7.790 7.486 -4.918 1.00 21.10 H new ATOM 0 HB2 GLU A 622 8.435 8.219 -2.765 1.00 44.24 H new ATOM 0 HB3 GLU A 622 9.348 9.115 -3.963 1.00 44.24 H new ATOM 0 HG2 GLU A 622 7.802 11.023 -3.698 1.00 64.52 H new ATOM 0 HG3 GLU A 622 6.919 10.126 -2.477 1.00 64.52 H new ATOM 654 N PHE A 623 5.618 7.259 -3.715 1.00 22.22 N ATOM 655 CA PHE A 623 4.283 7.060 -3.261 1.00 20.41 C ATOM 656 C PHE A 623 4.300 6.648 -1.813 1.00 33.24 C ATOM 657 O PHE A 623 4.973 5.696 -1.457 1.00 21.33 O ATOM 658 CB PHE A 623 3.587 5.964 -4.099 1.00 13.24 C ATOM 659 CG PHE A 623 3.510 6.242 -5.588 1.00 15.35 C ATOM 660 CD1 PHE A 623 4.613 6.033 -6.407 1.00 41.41 C ATOM 661 CD2 PHE A 623 2.342 6.711 -6.163 1.00 71.31 C ATOM 662 CE1 PHE A 623 4.547 6.288 -7.758 1.00 31.31 C ATOM 663 CE2 PHE A 623 2.277 6.965 -7.516 1.00 30.34 C ATOM 664 CZ PHE A 623 3.379 6.755 -8.314 1.00 23.11 C ATOM 0 H PHE A 623 6.215 6.434 -3.663 1.00 22.22 H new ATOM 0 HA PHE A 623 3.731 7.993 -3.372 1.00 20.41 H new ATOM 0 HB2 PHE A 623 4.116 5.023 -3.948 1.00 13.24 H new ATOM 0 HB3 PHE A 623 2.575 5.826 -3.718 1.00 13.24 H new ATOM 0 HD1 PHE A 623 5.534 5.666 -5.978 1.00 41.41 H new ATOM 0 HD2 PHE A 623 1.472 6.880 -5.545 1.00 71.31 H new ATOM 0 HE1 PHE A 623 5.413 6.121 -8.382 1.00 31.31 H new ATOM 0 HE2 PHE A 623 1.359 7.330 -7.952 1.00 30.34 H new ATOM 0 HZ PHE A 623 3.326 6.956 -9.374 1.00 23.11 H new ATOM 674 N HIS A 624 3.595 7.366 -0.981 1.00 72.14 N ATOM 675 CA HIS A 624 3.454 6.970 0.406 1.00 35.44 C ATOM 676 C HIS A 624 2.074 6.473 0.628 1.00 62.42 C ATOM 677 O HIS A 624 1.104 7.179 0.366 1.00 61.24 O ATOM 678 CB HIS A 624 3.698 8.123 1.380 1.00 72.34 C ATOM 679 CG HIS A 624 5.082 8.638 1.411 1.00 42.23 C ATOM 680 ND1 HIS A 624 6.048 8.129 2.241 1.00 12.02 N ATOM 681 CD2 HIS A 624 5.667 9.635 0.720 1.00 2.11 C ATOM 682 CE1 HIS A 624 7.155 8.778 2.061 1.00 61.42 C ATOM 683 NE2 HIS A 624 6.959 9.706 1.140 1.00 2.41 N ATOM 0 H HIS A 624 3.108 8.227 -1.232 1.00 72.14 H new ATOM 0 HA HIS A 624 4.202 6.201 0.595 1.00 35.44 H new ATOM 0 HB2 HIS A 624 3.028 8.943 1.122 1.00 72.34 H new ATOM 0 HB3 HIS A 624 3.427 7.793 2.383 1.00 72.34 H new ATOM 0 HD2 HIS A 624 5.199 10.260 -0.026 1.00 2.11 H new ATOM 0 HE1 HIS A 624 8.085 8.592 2.578 1.00 61.42 H new ATOM 0 HE2 HIS A 624 7.660 10.365 0.801 1.00 2.41 H new ATOM 692 N ILE A 625 1.977 5.286 1.115 1.00 22.55 N ATOM 693 CA ILE A 625 0.705 4.689 1.389 1.00 44.25 C ATOM 694 C ILE A 625 0.797 3.983 2.721 1.00 34.25 C ATOM 695 O ILE A 625 1.901 3.635 3.185 1.00 45.11 O ATOM 696 CB ILE A 625 0.268 3.658 0.285 1.00 52.11 C ATOM 697 CG1 ILE A 625 1.208 2.460 0.280 1.00 12.44 C ATOM 698 CG2 ILE A 625 0.212 4.308 -1.101 1.00 43.23 C ATOM 699 CD1 ILE A 625 0.937 1.440 -0.812 1.00 44.20 C ATOM 0 H ILE A 625 2.777 4.694 1.338 1.00 22.55 H new ATOM 0 HA ILE A 625 -0.046 5.479 1.402 1.00 44.25 H new ATOM 0 HB ILE A 625 -0.738 3.314 0.526 1.00 52.11 H new ATOM 0 HG12 ILE A 625 2.231 2.820 0.175 1.00 12.44 H new ATOM 0 HG13 ILE A 625 1.143 1.961 1.247 1.00 12.44 H new ATOM 0 HG21 ILE A 625 -0.093 3.566 -1.839 1.00 43.23 H new ATOM 0 HG22 ILE A 625 -0.508 5.127 -1.090 1.00 43.23 H new ATOM 0 HG23 ILE A 625 1.197 4.695 -1.362 1.00 43.23 H new ATOM 0 HD11 ILE A 625 1.656 0.625 -0.735 1.00 44.20 H new ATOM 0 HD12 ILE A 625 -0.073 1.045 -0.699 1.00 44.20 H new ATOM 0 HD13 ILE A 625 1.033 1.917 -1.787 1.00 44.20 H new ATOM 706 N ASN A 626 -0.304 3.821 3.340 1.00 35.11 N ATOM 707 CA ASN A 626 -0.384 3.107 4.591 1.00 62.40 C ATOM 708 C ASN A 626 -1.555 2.155 4.514 1.00 63.40 C ATOM 709 O ASN A 626 -2.502 2.410 3.763 1.00 51.14 O ATOM 710 CB ASN A 626 -0.580 4.096 5.750 1.00 62.30 C ATOM 711 CG ASN A 626 -0.616 3.426 7.106 1.00 22.22 C ATOM 712 OD1 ASN A 626 0.022 2.392 7.323 1.00 44.25 O ATOM 713 ND2 ASN A 626 -1.341 3.999 8.022 1.00 53.41 N ATOM 0 H ASN A 626 -1.199 4.177 3.005 1.00 35.11 H new ATOM 0 HA ASN A 626 0.538 2.553 4.769 1.00 62.40 H new ATOM 0 HB2 ASN A 626 0.228 4.828 5.735 1.00 62.30 H new ATOM 0 HB3 ASN A 626 -1.510 4.644 5.598 1.00 62.30 H new ATOM 0 HD21 ASN A 626 -1.396 3.594 8.957 1.00 53.41 H new ATOM 0 HD22 ASN A 626 -1.855 4.853 7.806 1.00 53.41 H new ATOM 719 N VAL A 627 -1.494 1.052 5.236 1.00 15.22 N ATOM 720 CA VAL A 627 -2.604 0.138 5.257 1.00 22.34 C ATOM 721 C VAL A 627 -3.600 0.594 6.254 1.00 54.25 C ATOM 722 O VAL A 627 -3.346 0.531 7.452 1.00 22.31 O ATOM 723 CB VAL A 627 -2.226 -1.320 5.596 1.00 62.12 C ATOM 724 CG1 VAL A 627 -3.489 -2.180 5.662 1.00 50.42 C ATOM 725 CG2 VAL A 627 -1.306 -1.871 4.554 1.00 3.21 C ATOM 0 H VAL A 627 -0.695 0.775 5.807 1.00 15.22 H new ATOM 0 HA VAL A 627 -3.002 0.139 4.242 1.00 22.34 H new ATOM 0 HB VAL A 627 -1.722 -1.335 6.562 1.00 62.12 H new ATOM 0 HG11 VAL A 627 -3.217 -3.208 5.901 1.00 50.42 H new ATOM 0 HG12 VAL A 627 -4.154 -1.791 6.433 1.00 50.42 H new ATOM 0 HG13 VAL A 627 -3.997 -2.154 4.698 1.00 50.42 H new ATOM 0 HG21 VAL A 627 -1.047 -2.900 4.805 1.00 3.21 H new ATOM 0 HG22 VAL A 627 -1.801 -1.848 3.583 1.00 3.21 H new ATOM 0 HG23 VAL A 627 -0.399 -1.268 4.514 1.00 3.21 H new ATOM 731 N CYS A 628 -4.704 1.069 5.750 1.00 61.43 N ATOM 732 CA CYS A 628 -5.833 1.493 6.519 1.00 54.34 C ATOM 733 C CYS A 628 -5.589 2.847 7.183 1.00 43.53 C ATOM 734 O CYS A 628 -4.468 3.195 7.574 1.00 61.52 O ATOM 735 CB CYS A 628 -6.199 0.406 7.552 1.00 3.51 C ATOM 736 SG CYS A 628 -7.573 0.811 8.639 1.00 11.43 S ATOM 0 H CYS A 628 -4.845 1.175 4.745 1.00 61.43 H new ATOM 0 HA CYS A 628 -6.679 1.629 5.846 1.00 54.34 H new ATOM 0 HB2 CYS A 628 -6.438 -0.514 7.018 1.00 3.51 H new ATOM 0 HB3 CYS A 628 -5.321 0.200 8.164 1.00 3.51 H new ATOM 741 N GLY A 629 -6.648 3.594 7.294 1.00 10.34 N ATOM 742 CA GLY A 629 -6.609 4.857 7.954 1.00 54.42 C ATOM 743 C GLY A 629 -5.926 5.891 7.123 1.00 23.05 C ATOM 744 O GLY A 629 -6.046 5.897 5.891 1.00 33.55 O ATOM 0 H GLY A 629 -7.565 3.339 6.926 1.00 10.34 H new ATOM 0 HA2 GLY A 629 -7.625 5.182 8.178 1.00 54.42 H new ATOM 0 HA3 GLY A 629 -6.090 4.754 8.907 1.00 54.42 H new ATOM 748 N PRO A 630 -5.260 6.800 7.769 1.00 62.10 N ATOM 749 CA PRO A 630 -4.471 7.808 7.124 1.00 62.35 C ATOM 750 C PRO A 630 -2.986 7.433 7.049 1.00 60.25 C ATOM 751 O PRO A 630 -2.532 6.455 7.659 1.00 23.42 O ATOM 752 CB PRO A 630 -4.651 8.975 8.058 1.00 61.10 C ATOM 753 CG PRO A 630 -4.793 8.353 9.424 1.00 1.34 C ATOM 754 CD PRO A 630 -5.259 6.954 9.227 1.00 12.02 C ATOM 0 HA PRO A 630 -4.773 7.983 6.091 1.00 62.35 H new ATOM 0 HB2 PRO A 630 -3.796 9.650 8.017 1.00 61.10 H new ATOM 0 HB3 PRO A 630 -5.532 9.560 7.796 1.00 61.10 H new ATOM 0 HG2 PRO A 630 -3.841 8.370 9.955 1.00 1.34 H new ATOM 0 HG3 PRO A 630 -5.505 8.914 10.029 1.00 1.34 H new ATOM 0 HD2 PRO A 630 -4.593 6.237 9.707 1.00 12.02 H new ATOM 0 HD3 PRO A 630 -6.252 6.798 9.649 1.00 12.02 H new ATOM 762 N VAL A 631 -2.250 8.201 6.309 1.00 52.04 N ATOM 763 CA VAL A 631 -0.843 8.029 6.206 1.00 54.21 C ATOM 764 C VAL A 631 -0.186 9.207 6.913 1.00 51.12 C ATOM 765 O VAL A 631 -0.559 10.364 6.693 1.00 10.41 O ATOM 766 CB VAL A 631 -0.375 7.922 4.711 1.00 65.00 C ATOM 767 CG1 VAL A 631 -0.601 9.182 3.898 1.00 75.25 C ATOM 768 CG2 VAL A 631 1.037 7.442 4.601 1.00 73.02 C ATOM 0 H VAL A 631 -2.618 8.974 5.754 1.00 52.04 H new ATOM 0 HA VAL A 631 -0.547 7.092 6.677 1.00 54.21 H new ATOM 0 HB VAL A 631 -1.023 7.168 4.264 1.00 65.00 H new ATOM 0 HG11 VAL A 631 -0.251 9.024 2.878 1.00 75.25 H new ATOM 0 HG12 VAL A 631 -1.665 9.420 3.884 1.00 75.25 H new ATOM 0 HG13 VAL A 631 -0.050 10.008 4.347 1.00 75.25 H new ATOM 0 HG21 VAL A 631 1.320 7.382 3.550 1.00 73.02 H new ATOM 0 HG22 VAL A 631 1.699 8.138 5.116 1.00 73.02 H new ATOM 0 HG23 VAL A 631 1.122 6.455 5.056 1.00 73.02 H new ATOM 774 N SER A 632 0.747 8.937 7.773 1.00 10.31 N ATOM 775 CA SER A 632 1.346 9.999 8.511 1.00 24.04 C ATOM 776 C SER A 632 2.624 10.476 7.847 1.00 3.01 C ATOM 777 O SER A 632 3.738 10.081 8.218 1.00 23.01 O ATOM 778 CB SER A 632 1.546 9.617 9.985 1.00 61.53 C ATOM 779 OG SER A 632 2.045 10.703 10.763 1.00 55.33 O ATOM 0 H SER A 632 1.104 8.004 7.978 1.00 10.31 H new ATOM 0 HA SER A 632 0.658 10.845 8.506 1.00 24.04 H new ATOM 0 HB2 SER A 632 0.597 9.280 10.402 1.00 61.53 H new ATOM 0 HB3 SER A 632 2.239 8.778 10.050 1.00 61.53 H new ATOM 0 HG SER A 632 2.155 10.415 11.693 1.00 55.33 H new ATOM 785 N VAL A 633 2.448 11.243 6.800 1.00 72.43 N ATOM 786 CA VAL A 633 3.553 11.856 6.111 1.00 12.23 C ATOM 787 C VAL A 633 3.395 13.349 6.226 1.00 62.03 C ATOM 788 O VAL A 633 2.301 13.877 6.009 1.00 40.34 O ATOM 789 CB VAL A 633 3.596 11.467 4.608 1.00 51.00 C ATOM 790 CG1 VAL A 633 4.835 12.025 3.921 1.00 34.34 C ATOM 791 CG2 VAL A 633 3.529 9.975 4.441 1.00 11.21 C ATOM 0 H VAL A 633 1.534 11.459 6.402 1.00 72.43 H new ATOM 0 HA VAL A 633 4.482 11.510 6.565 1.00 12.23 H new ATOM 0 HB VAL A 633 2.722 11.910 4.130 1.00 51.00 H new ATOM 0 HG11 VAL A 633 4.831 11.733 2.871 1.00 34.34 H new ATOM 0 HG12 VAL A 633 4.834 13.112 3.995 1.00 34.34 H new ATOM 0 HG13 VAL A 633 5.728 11.630 4.405 1.00 34.34 H new ATOM 0 HG21 VAL A 633 3.561 9.726 3.380 1.00 11.21 H new ATOM 0 HG22 VAL A 633 4.377 9.514 4.948 1.00 11.21 H new ATOM 0 HG23 VAL A 633 2.601 9.602 4.874 1.00 11.21 H new ATOM 797 N GLY A 634 4.467 14.035 6.541 1.00 63.32 N ATOM 798 CA GLY A 634 4.408 15.469 6.699 1.00 70.34 C ATOM 799 C GLY A 634 4.498 16.199 5.375 1.00 12.21 C ATOM 800 O GLY A 634 4.891 17.364 5.325 1.00 22.04 O ATOM 0 H GLY A 634 5.389 13.625 6.693 1.00 63.32 H new ATOM 0 HA2 GLY A 634 3.477 15.739 7.197 1.00 70.34 H new ATOM 0 HA3 GLY A 634 5.222 15.794 7.347 1.00 70.34 H new ATOM 804 N ALA A 635 4.132 15.523 4.310 1.00 60.45 N ATOM 805 CA ALA A 635 4.174 16.093 2.981 1.00 22.23 C ATOM 806 C ALA A 635 2.771 16.206 2.423 1.00 14.51 C ATOM 807 O ALA A 635 2.513 16.964 1.480 1.00 63.12 O ATOM 808 CB ALA A 635 5.032 15.229 2.067 1.00 43.54 C ATOM 0 H ALA A 635 3.796 14.560 4.340 1.00 60.45 H new ATOM 0 HA ALA A 635 4.614 17.089 3.037 1.00 22.23 H new ATOM 0 HB1 ALA A 635 5.056 15.667 1.069 1.00 43.54 H new ATOM 0 HB2 ALA A 635 6.046 15.174 2.464 1.00 43.54 H new ATOM 0 HB3 ALA A 635 4.609 14.226 2.012 1.00 43.54 H new ATOM 814 N CYS A 636 1.870 15.474 3.014 1.00 74.54 N ATOM 815 CA CYS A 636 0.518 15.411 2.552 1.00 23.04 C ATOM 816 C CYS A 636 -0.441 15.591 3.726 1.00 3.05 C ATOM 817 O CYS A 636 -0.007 15.535 4.878 1.00 74.53 O ATOM 818 CB CYS A 636 0.305 14.077 1.840 1.00 75.15 C ATOM 819 SG CYS A 636 0.723 12.602 2.828 1.00 61.00 S ATOM 0 H CYS A 636 2.057 14.901 3.836 1.00 74.54 H new ATOM 0 HA CYS A 636 0.317 16.215 1.844 1.00 23.04 H new ATOM 0 HB2 CYS A 636 -0.739 14.008 1.535 1.00 75.15 H new ATOM 0 HB3 CYS A 636 0.904 14.068 0.930 1.00 75.15 H new ATOM 824 N PRO A 637 -1.739 15.852 3.467 1.00 13.40 N ATOM 825 CA PRO A 637 -2.719 16.033 4.531 1.00 1.31 C ATOM 826 C PRO A 637 -2.958 14.745 5.338 1.00 34.34 C ATOM 827 O PRO A 637 -3.000 13.642 4.773 1.00 25.43 O ATOM 828 CB PRO A 637 -4.007 16.418 3.787 1.00 10.11 C ATOM 829 CG PRO A 637 -3.572 16.813 2.420 1.00 15.21 C ATOM 830 CD PRO A 637 -2.352 16.008 2.132 1.00 23.11 C ATOM 0 HA PRO A 637 -2.383 16.777 5.253 1.00 1.31 H new ATOM 0 HB2 PRO A 637 -4.705 15.581 3.751 1.00 10.11 H new ATOM 0 HB3 PRO A 637 -4.520 17.239 4.288 1.00 10.11 H new ATOM 0 HG2 PRO A 637 -4.354 16.612 1.688 1.00 15.21 H new ATOM 0 HG3 PRO A 637 -3.356 17.880 2.372 1.00 15.21 H new ATOM 0 HD2 PRO A 637 -2.599 15.045 1.686 1.00 23.11 H new ATOM 0 HD3 PRO A 637 -1.685 16.519 1.438 1.00 23.11 H new ATOM 838 N PRO A 638 -3.148 14.869 6.670 1.00 42.24 N ATOM 839 CA PRO A 638 -3.431 13.722 7.565 1.00 74.24 C ATOM 840 C PRO A 638 -4.753 13.029 7.207 1.00 71.05 C ATOM 841 O PRO A 638 -5.056 11.951 7.692 1.00 15.15 O ATOM 842 CB PRO A 638 -3.543 14.372 8.955 1.00 72.33 C ATOM 843 CG PRO A 638 -2.830 15.669 8.827 1.00 71.44 C ATOM 844 CD PRO A 638 -3.080 16.132 7.425 1.00 55.01 C ATOM 0 HA PRO A 638 -2.663 12.952 7.496 1.00 74.24 H new ATOM 0 HB2 PRO A 638 -4.585 14.520 9.240 1.00 72.33 H new ATOM 0 HB3 PRO A 638 -3.089 13.745 9.722 1.00 72.33 H new ATOM 0 HG2 PRO A 638 -3.203 16.394 9.551 1.00 71.44 H new ATOM 0 HG3 PRO A 638 -1.763 15.550 9.016 1.00 71.44 H new ATOM 0 HD2 PRO A 638 -4.007 16.700 7.346 1.00 55.01 H new ATOM 0 HD3 PRO A 638 -2.279 16.777 7.063 1.00 55.01 H new ATOM 852 N ASP A 639 -5.544 13.671 6.361 1.00 72.24 N ATOM 853 CA ASP A 639 -6.808 13.104 5.910 1.00 61.11 C ATOM 854 C ASP A 639 -6.621 12.130 4.773 1.00 71.23 C ATOM 855 O ASP A 639 -7.585 11.564 4.289 1.00 42.12 O ATOM 856 CB ASP A 639 -7.817 14.175 5.493 1.00 40.15 C ATOM 857 CG ASP A 639 -8.287 15.016 6.635 1.00 33.53 C ATOM 858 OD1 ASP A 639 -9.053 14.511 7.476 1.00 24.33 O ATOM 859 OD2 ASP A 639 -7.916 16.205 6.704 1.00 14.32 O ATOM 0 H ASP A 639 -5.332 14.589 5.971 1.00 72.24 H new ATOM 0 HA ASP A 639 -7.207 12.570 6.772 1.00 61.11 H new ATOM 0 HB2 ASP A 639 -7.364 14.818 4.739 1.00 40.15 H new ATOM 0 HB3 ASP A 639 -8.677 13.694 5.027 1.00 40.15 H new ATOM 864 N SER A 640 -5.399 11.937 4.336 1.00 60.41 N ATOM 865 CA SER A 640 -5.147 11.003 3.270 1.00 0.25 C ATOM 866 C SER A 640 -4.435 9.767 3.784 1.00 41.43 C ATOM 867 O SER A 640 -3.609 9.859 4.682 1.00 50.14 O ATOM 868 CB SER A 640 -4.401 11.664 2.090 1.00 44.54 C ATOM 869 OG SER A 640 -3.185 12.286 2.476 1.00 13.21 O ATOM 0 H SER A 640 -4.572 12.410 4.700 1.00 60.41 H new ATOM 0 HA SER A 640 -6.111 10.679 2.879 1.00 0.25 H new ATOM 0 HB2 SER A 640 -4.191 10.909 1.332 1.00 44.54 H new ATOM 0 HB3 SER A 640 -5.051 12.407 1.628 1.00 44.54 H new ATOM 0 HG SER A 640 -3.351 12.888 3.232 1.00 13.21 H new ATOM 875 N GLY A 641 -4.805 8.614 3.247 1.00 31.35 N ATOM 876 CA GLY A 641 -4.165 7.358 3.620 1.00 21.21 C ATOM 877 C GLY A 641 -3.137 6.950 2.600 1.00 74.30 C ATOM 878 O GLY A 641 -2.368 6.001 2.801 1.00 60.55 O ATOM 0 H GLY A 641 -5.545 8.520 2.551 1.00 31.35 H new ATOM 0 HA2 GLY A 641 -3.691 7.463 4.596 1.00 21.21 H new ATOM 0 HA3 GLY A 641 -4.919 6.576 3.714 1.00 21.21 H new ATOM 882 N ALA A 642 -3.135 7.663 1.502 1.00 50.43 N ATOM 883 CA ALA A 642 -2.184 7.461 0.438 1.00 72.52 C ATOM 884 C ALA A 642 -1.952 8.782 -0.239 1.00 65.03 C ATOM 885 O ALA A 642 -2.900 9.454 -0.661 1.00 32.33 O ATOM 886 CB ALA A 642 -2.696 6.418 -0.547 1.00 64.44 C ATOM 0 H ALA A 642 -3.804 8.411 1.319 1.00 50.43 H new ATOM 0 HA ALA A 642 -1.242 7.087 0.840 1.00 72.52 H new ATOM 0 HB1 ALA A 642 -1.964 6.279 -1.343 1.00 64.44 H new ATOM 0 HB2 ALA A 642 -2.851 5.472 -0.028 1.00 64.44 H new ATOM 0 HB3 ALA A 642 -3.640 6.755 -0.976 1.00 64.44 H new ATOM 892 N CYS A 643 -0.718 9.176 -0.313 1.00 34.12 N ATOM 893 CA CYS A 643 -0.369 10.432 -0.897 1.00 53.13 C ATOM 894 C CYS A 643 0.888 10.311 -1.737 1.00 11.14 C ATOM 895 O CYS A 643 1.874 9.664 -1.337 1.00 52.13 O ATOM 896 CB CYS A 643 -0.213 11.509 0.178 1.00 23.42 C ATOM 897 SG CYS A 643 1.111 11.211 1.407 1.00 73.33 S ATOM 0 H CYS A 643 0.075 8.635 0.030 1.00 34.12 H new ATOM 0 HA CYS A 643 -1.182 10.734 -1.557 1.00 53.13 H new ATOM 0 HB2 CYS A 643 -0.020 12.463 -0.313 1.00 23.42 H new ATOM 0 HB3 CYS A 643 -1.160 11.609 0.708 1.00 23.42 H new ATOM 902 N GLN A 644 0.852 10.890 -2.900 1.00 52.22 N ATOM 903 CA GLN A 644 1.987 10.874 -3.788 1.00 3.42 C ATOM 904 C GLN A 644 2.645 12.208 -3.873 1.00 51.32 C ATOM 905 O GLN A 644 1.985 13.231 -3.805 1.00 43.44 O ATOM 906 CB GLN A 644 1.622 10.444 -5.175 1.00 32.23 C ATOM 907 CG GLN A 644 0.384 11.122 -5.745 1.00 54.33 C ATOM 908 CD GLN A 644 0.135 10.802 -7.214 1.00 74.13 C ATOM 909 OE1 GLN A 644 -0.452 11.587 -7.941 1.00 11.14 O ATOM 910 NE2 GLN A 644 0.591 9.665 -7.660 1.00 63.32 N ATOM 0 H GLN A 644 0.039 11.387 -3.264 1.00 52.22 H new ATOM 0 HA GLN A 644 2.678 10.149 -3.358 1.00 3.42 H new ATOM 0 HB2 GLN A 644 2.465 10.642 -5.836 1.00 32.23 H new ATOM 0 HB3 GLN A 644 1.463 9.366 -5.177 1.00 32.23 H new ATOM 0 HG2 GLN A 644 -0.486 10.819 -5.163 1.00 54.33 H new ATOM 0 HG3 GLN A 644 0.485 12.201 -5.629 1.00 54.33 H new ATOM 0 HE21 GLN A 644 1.078 9.028 -7.029 1.00 63.32 H new ATOM 0 HE22 GLN A 644 0.461 9.412 -8.640 1.00 63.32 H new ATOM 918 N VAL A 645 3.935 12.185 -4.000 1.00 74.13 N ATOM 919 CA VAL A 645 4.719 13.359 -4.179 1.00 60.41 C ATOM 920 C VAL A 645 5.786 13.135 -5.246 1.00 3.33 C ATOM 921 O VAL A 645 6.530 12.147 -5.211 1.00 71.01 O ATOM 922 CB VAL A 645 5.304 13.928 -2.831 1.00 23.03 C ATOM 923 CG1 VAL A 645 5.993 12.863 -2.018 1.00 2.52 C ATOM 924 CG2 VAL A 645 6.265 15.090 -3.090 1.00 25.53 C ATOM 0 H VAL A 645 4.483 11.325 -3.981 1.00 74.13 H new ATOM 0 HA VAL A 645 4.053 14.142 -4.540 1.00 60.41 H new ATOM 0 HB VAL A 645 4.455 14.295 -2.254 1.00 23.03 H new ATOM 0 HG11 VAL A 645 6.380 13.301 -1.098 1.00 2.52 H new ATOM 0 HG12 VAL A 645 5.281 12.075 -1.773 1.00 2.52 H new ATOM 0 HG13 VAL A 645 6.817 12.441 -2.594 1.00 2.52 H new ATOM 0 HG21 VAL A 645 6.652 15.461 -2.141 1.00 25.53 H new ATOM 0 HG22 VAL A 645 7.093 14.746 -3.710 1.00 25.53 H new ATOM 0 HG23 VAL A 645 5.736 15.892 -3.604 1.00 25.53 H new ATOM 930 N SER A 646 5.804 14.001 -6.218 1.00 52.25 N ATOM 931 CA SER A 646 6.804 13.976 -7.240 1.00 4.14 C ATOM 932 C SER A 646 8.097 14.489 -6.643 1.00 50.21 C ATOM 933 O SER A 646 8.154 15.625 -6.211 1.00 65.04 O ATOM 934 CB SER A 646 6.382 14.884 -8.380 1.00 51.30 C ATOM 935 OG SER A 646 5.168 14.479 -8.923 1.00 14.14 O ATOM 0 H SER A 646 5.119 14.749 -6.322 1.00 52.25 H new ATOM 0 HA SER A 646 6.935 12.963 -7.620 1.00 4.14 H new ATOM 0 HB2 SER A 646 6.298 15.909 -8.020 1.00 51.30 H new ATOM 0 HB3 SER A 646 7.149 14.880 -9.154 1.00 51.30 H new ATOM 0 HG SER A 646 5.314 13.713 -9.516 1.00 14.14 H new ATOM 941 N ARG A 647 9.125 13.679 -6.630 1.00 75.44 N ATOM 942 CA ARG A 647 10.386 14.069 -6.001 1.00 4.04 C ATOM 943 C ARG A 647 11.086 15.156 -6.823 1.00 21.11 C ATOM 944 O ARG A 647 11.949 15.871 -6.330 1.00 4.22 O ATOM 945 CB ARG A 647 11.293 12.845 -5.784 1.00 1.15 C ATOM 946 CG ARG A 647 11.865 12.226 -7.042 1.00 23.14 C ATOM 947 CD ARG A 647 12.557 10.910 -6.731 1.00 63.12 C ATOM 948 NE ARG A 647 13.607 11.047 -5.720 1.00 42.51 N ATOM 949 CZ ARG A 647 13.964 10.085 -4.851 1.00 62.13 C ATOM 950 NH1 ARG A 647 13.310 8.917 -4.840 1.00 11.22 N ATOM 951 NH2 ARG A 647 14.957 10.298 -3.988 1.00 1.04 N ATOM 0 H ARG A 647 9.126 12.746 -7.043 1.00 75.44 H new ATOM 0 HA ARG A 647 10.167 14.488 -5.019 1.00 4.04 H new ATOM 0 HB2 ARG A 647 12.119 13.137 -5.136 1.00 1.15 H new ATOM 0 HB3 ARG A 647 10.724 12.083 -5.251 1.00 1.15 H new ATOM 0 HG2 ARG A 647 11.067 12.060 -7.766 1.00 23.14 H new ATOM 0 HG3 ARG A 647 12.574 12.915 -7.501 1.00 23.14 H new ATOM 0 HD2 ARG A 647 11.817 10.189 -6.384 1.00 63.12 H new ATOM 0 HD3 ARG A 647 12.991 10.507 -7.646 1.00 63.12 H new ATOM 0 HE ARG A 647 14.104 11.937 -5.671 1.00 42.51 H new ATOM 0 HH11 ARG A 647 12.541 8.757 -5.491 1.00 11.22 H new ATOM 0 HH12 ARG A 647 13.581 8.187 -4.181 1.00 11.22 H new ATOM 0 HH21 ARG A 647 15.448 11.192 -3.986 1.00 1.04 H new ATOM 0 HH22 ARG A 647 15.226 9.567 -3.330 1.00 1.04 H new ATOM 963 N SER A 648 10.670 15.284 -8.071 1.00 22.22 N ATOM 964 CA SER A 648 11.240 16.246 -8.970 1.00 74.53 C ATOM 965 C SER A 648 10.708 17.690 -8.686 1.00 34.12 C ATOM 966 O SER A 648 11.492 18.639 -8.606 1.00 71.04 O ATOM 967 CB SER A 648 10.943 15.816 -10.419 1.00 30.32 C ATOM 968 OG SER A 648 11.525 16.694 -11.362 1.00 41.14 O ATOM 0 H SER A 648 9.926 14.719 -8.481 1.00 22.22 H new ATOM 0 HA SER A 648 12.319 16.277 -8.816 1.00 74.53 H new ATOM 0 HB2 SER A 648 11.321 14.807 -10.582 1.00 30.32 H new ATOM 0 HB3 SER A 648 9.864 15.782 -10.573 1.00 30.32 H new ATOM 0 HG SER A 648 11.315 16.386 -12.268 1.00 41.14 H new ATOM 974 N ASP A 649 9.393 17.857 -8.544 1.00 52.21 N ATOM 975 CA ASP A 649 8.840 19.211 -8.280 1.00 13.10 C ATOM 976 C ASP A 649 8.410 19.398 -6.829 1.00 11.31 C ATOM 977 O ASP A 649 8.377 20.515 -6.321 1.00 0.14 O ATOM 978 CB ASP A 649 7.645 19.494 -9.197 1.00 31.14 C ATOM 979 CG ASP A 649 7.065 20.892 -9.019 1.00 14.21 C ATOM 980 OD1 ASP A 649 6.314 21.129 -8.052 1.00 43.32 O ATOM 981 OD2 ASP A 649 7.356 21.768 -9.848 1.00 23.34 O ATOM 0 H ASP A 649 8.702 17.109 -8.602 1.00 52.21 H new ATOM 0 HA ASP A 649 9.645 19.916 -8.485 1.00 13.10 H new ATOM 0 HB2 ASP A 649 7.954 19.366 -10.234 1.00 31.14 H new ATOM 0 HB3 ASP A 649 6.865 18.757 -9.003 1.00 31.14 H new ATOM 986 N ARG A 650 8.185 18.299 -6.162 1.00 12.32 N ATOM 987 CA ARG A 650 7.579 18.251 -4.809 1.00 13.34 C ATOM 988 C ARG A 650 6.083 18.565 -4.840 1.00 62.32 C ATOM 989 O ARG A 650 5.490 18.966 -3.838 1.00 64.45 O ATOM 990 CB ARG A 650 8.325 19.090 -3.740 1.00 72.22 C ATOM 991 CG ARG A 650 9.616 18.463 -3.197 1.00 24.33 C ATOM 992 CD ARG A 650 10.694 18.271 -4.250 1.00 40.24 C ATOM 993 NE ARG A 650 11.161 19.534 -4.827 1.00 62.13 N ATOM 994 CZ ARG A 650 12.276 19.653 -5.557 1.00 15.43 C ATOM 995 NH1 ARG A 650 13.045 18.588 -5.781 1.00 15.31 N ATOM 996 NH2 ARG A 650 12.624 20.838 -6.056 1.00 25.11 N ATOM 0 H ARG A 650 8.414 17.376 -6.531 1.00 12.32 H new ATOM 0 HA ARG A 650 7.697 17.216 -4.486 1.00 13.34 H new ATOM 0 HB2 ARG A 650 8.566 20.063 -4.169 1.00 72.22 H new ATOM 0 HB3 ARG A 650 7.648 19.268 -2.905 1.00 72.22 H new ATOM 0 HG2 ARG A 650 10.008 19.094 -2.400 1.00 24.33 H new ATOM 0 HG3 ARG A 650 9.380 17.497 -2.751 1.00 24.33 H new ATOM 0 HD2 ARG A 650 11.540 17.746 -3.805 1.00 40.24 H new ATOM 0 HD3 ARG A 650 10.307 17.635 -5.046 1.00 40.24 H new ATOM 0 HE ARG A 650 10.603 20.372 -4.663 1.00 62.13 H new ATOM 0 HH11 ARG A 650 12.784 17.680 -5.396 1.00 15.31 H new ATOM 0 HH12 ARG A 650 13.895 18.680 -6.338 1.00 15.31 H new ATOM 0 HH21 ARG A 650 12.040 21.656 -5.882 1.00 25.11 H new ATOM 0 HH22 ARG A 650 13.474 20.927 -6.612 1.00 25.11 H new ATOM 1008 N LYS A 651 5.468 18.307 -5.986 1.00 23.33 N ATOM 1009 CA LYS A 651 4.013 18.372 -6.114 1.00 15.32 C ATOM 1010 C LYS A 651 3.467 17.153 -5.410 1.00 50.13 C ATOM 1011 O LYS A 651 4.019 16.066 -5.569 1.00 50.05 O ATOM 1012 CB LYS A 651 3.605 18.243 -7.589 1.00 3.51 C ATOM 1013 CG LYS A 651 3.928 19.389 -8.543 1.00 42.15 C ATOM 1014 CD LYS A 651 2.852 20.496 -8.565 1.00 70.00 C ATOM 1015 CE LYS A 651 2.784 21.318 -7.293 1.00 1.31 C ATOM 1016 NZ LYS A 651 4.007 22.124 -7.099 1.00 61.13 N ATOM 0 H LYS A 651 5.954 18.049 -6.845 1.00 23.33 H new ATOM 0 HA LYS A 651 3.643 19.312 -5.705 1.00 15.32 H new ATOM 0 HB2 LYS A 651 4.075 17.342 -7.984 1.00 3.51 H new ATOM 0 HB3 LYS A 651 2.528 18.081 -7.621 1.00 3.51 H new ATOM 0 HG2 LYS A 651 4.884 19.829 -8.259 1.00 42.15 H new ATOM 0 HG3 LYS A 651 4.047 18.990 -9.550 1.00 42.15 H new ATOM 0 HD2 LYS A 651 3.048 21.162 -9.405 1.00 70.00 H new ATOM 0 HD3 LYS A 651 1.879 20.038 -8.742 1.00 70.00 H new ATOM 0 HE2 LYS A 651 1.916 21.976 -7.331 1.00 1.31 H new ATOM 0 HE3 LYS A 651 2.645 20.656 -6.438 1.00 1.31 H new ATOM 0 HZ1 LYS A 651 4.388 21.953 -6.147 1.00 61.13 H new ATOM 0 HZ2 LYS A 651 4.717 21.855 -7.810 1.00 61.13 H new ATOM 0 HZ3 LYS A 651 3.778 23.133 -7.204 1.00 61.13 H new ATOM 1030 N SER A 652 2.428 17.301 -4.647 1.00 51.35 N ATOM 1031 CA SER A 652 1.858 16.160 -3.992 1.00 35.34 C ATOM 1032 C SER A 652 0.365 16.117 -4.225 1.00 62.42 C ATOM 1033 O SER A 652 -0.286 17.165 -4.360 1.00 71.14 O ATOM 1034 CB SER A 652 2.149 16.183 -2.506 1.00 32.34 C ATOM 1035 OG SER A 652 3.513 16.490 -2.265 1.00 63.05 O ATOM 0 H SER A 652 1.961 18.189 -4.463 1.00 51.35 H new ATOM 0 HA SER A 652 2.313 15.265 -4.416 1.00 35.34 H new ATOM 0 HB2 SER A 652 1.513 16.922 -2.018 1.00 32.34 H new ATOM 0 HB3 SER A 652 1.907 15.215 -2.068 1.00 32.34 H new ATOM 0 HG SER A 652 3.680 16.501 -1.299 1.00 63.05 H new ATOM 1041 N TRP A 653 -0.177 14.930 -4.270 1.00 71.43 N ATOM 1042 CA TRP A 653 -1.581 14.742 -4.516 1.00 74.22 C ATOM 1043 C TRP A 653 -2.160 13.747 -3.524 1.00 34.23 C ATOM 1044 O TRP A 653 -1.427 12.940 -2.930 1.00 24.14 O ATOM 1045 CB TRP A 653 -1.812 14.254 -5.949 1.00 65.41 C ATOM 1046 CG TRP A 653 -1.267 15.182 -6.997 1.00 72.43 C ATOM 1047 CD1 TRP A 653 -1.892 16.262 -7.541 1.00 31.11 C ATOM 1048 CD2 TRP A 653 0.025 15.110 -7.626 1.00 31.24 C ATOM 1049 NE1 TRP A 653 -1.077 16.856 -8.469 1.00 32.21 N ATOM 1050 CE2 TRP A 653 0.102 16.166 -8.538 1.00 55.24 C ATOM 1051 CE3 TRP A 653 1.121 14.250 -7.502 1.00 54.02 C ATOM 1052 CZ2 TRP A 653 1.225 16.384 -9.320 1.00 22.13 C ATOM 1053 CZ3 TRP A 653 2.219 14.465 -8.266 1.00 24.13 C ATOM 1054 CH2 TRP A 653 2.270 15.524 -9.170 1.00 34.11 C ATOM 0 H TRP A 653 0.344 14.063 -4.137 1.00 71.43 H new ATOM 0 HA TRP A 653 -2.086 15.699 -4.389 1.00 74.22 H new ATOM 0 HB2 TRP A 653 -1.351 13.274 -6.069 1.00 65.41 H new ATOM 0 HB3 TRP A 653 -2.882 14.125 -6.112 1.00 65.41 H new ATOM 0 HD1 TRP A 653 -2.884 16.601 -7.280 1.00 31.11 H new ATOM 0 HE1 TRP A 653 -1.312 17.681 -9.020 1.00 32.21 H new ATOM 0 HE3 TRP A 653 1.092 13.425 -6.806 1.00 54.02 H new ATOM 0 HZ2 TRP A 653 1.270 17.204 -10.021 1.00 22.13 H new ATOM 0 HZ3 TRP A 653 3.069 13.805 -8.173 1.00 24.13 H new ATOM 0 HH2 TRP A 653 3.159 15.666 -9.766 1.00 34.11 H new ATOM 1065 N ASN A 654 -3.459 13.800 -3.364 1.00 32.21 N ATOM 1066 CA ASN A 654 -4.179 12.940 -2.438 1.00 2.40 C ATOM 1067 C ASN A 654 -4.710 11.766 -3.228 1.00 2.20 C ATOM 1068 O ASN A 654 -5.444 11.959 -4.198 1.00 21.31 O ATOM 1069 CB ASN A 654 -5.359 13.724 -1.857 1.00 63.11 C ATOM 1070 CG ASN A 654 -6.093 13.041 -0.721 1.00 65.45 C ATOM 1071 OD1 ASN A 654 -6.159 11.824 -0.627 1.00 41.13 O ATOM 1072 ND2 ASN A 654 -6.668 13.832 0.145 1.00 34.13 N ATOM 0 H ASN A 654 -4.059 14.447 -3.876 1.00 32.21 H new ATOM 0 HA ASN A 654 -3.530 12.602 -1.630 1.00 2.40 H new ATOM 0 HB2 ASN A 654 -4.995 14.689 -1.504 1.00 63.11 H new ATOM 0 HB3 ASN A 654 -6.070 13.925 -2.658 1.00 63.11 H new ATOM 0 HD21 ASN A 654 -7.190 13.438 0.927 1.00 34.13 H new ATOM 0 HD22 ASN A 654 -6.594 14.844 0.039 1.00 34.13 H new ATOM 1078 N LEU A 655 -4.349 10.571 -2.829 1.00 31.44 N ATOM 1079 CA LEU A 655 -4.742 9.376 -3.556 1.00 12.20 C ATOM 1080 C LEU A 655 -5.775 8.589 -2.787 1.00 60.35 C ATOM 1081 O LEU A 655 -5.954 7.387 -3.008 1.00 40.25 O ATOM 1082 CB LEU A 655 -3.533 8.501 -3.815 1.00 54.53 C ATOM 1083 CG LEU A 655 -2.400 9.128 -4.592 1.00 65.34 C ATOM 1084 CD1 LEU A 655 -1.317 8.095 -4.861 1.00 3.20 C ATOM 1085 CD2 LEU A 655 -2.912 9.748 -5.882 1.00 1.33 C ATOM 0 H LEU A 655 -3.781 10.394 -2.001 1.00 31.44 H new ATOM 0 HA LEU A 655 -5.177 9.689 -4.505 1.00 12.20 H new ATOM 0 HB2 LEU A 655 -3.143 8.166 -2.854 1.00 54.53 H new ATOM 0 HB3 LEU A 655 -3.864 7.612 -4.352 1.00 54.53 H new ATOM 0 HG LEU A 655 -1.963 9.929 -3.996 1.00 65.34 H new ATOM 0 HD11 LEU A 655 -0.505 8.557 -5.422 1.00 3.20 H new ATOM 0 HD12 LEU A 655 -0.934 7.715 -3.914 1.00 3.20 H new ATOM 0 HD13 LEU A 655 -1.735 7.272 -5.440 1.00 3.20 H new ATOM 0 HD21 LEU A 655 -2.080 10.194 -6.427 1.00 1.33 H new ATOM 0 HD22 LEU A 655 -3.376 8.977 -6.497 1.00 1.33 H new ATOM 0 HD23 LEU A 655 -3.647 10.518 -5.649 1.00 1.33 H new ATOM 1093 N GLY A 656 -6.445 9.247 -1.900 1.00 23.40 N ATOM 1094 CA GLY A 656 -7.470 8.606 -1.169 1.00 23.54 C ATOM 1095 C GLY A 656 -7.484 9.038 0.245 1.00 72.22 C ATOM 1096 O GLY A 656 -6.474 8.914 0.957 1.00 23.01 O ATOM 0 H GLY A 656 -6.296 10.229 -1.669 1.00 23.40 H new ATOM 0 HA2 GLY A 656 -8.435 8.825 -1.626 1.00 23.54 H new ATOM 0 HA3 GLY A 656 -7.332 7.526 -1.218 1.00 23.54 H new ATOM 1100 N ARG A 657 -8.606 9.556 0.674 1.00 54.44 N ATOM 1101 CA ARG A 657 -8.757 9.971 2.023 1.00 2.13 C ATOM 1102 C ARG A 657 -8.779 8.759 2.953 1.00 41.33 C ATOM 1103 O ARG A 657 -8.945 7.619 2.487 1.00 22.14 O ATOM 1104 CB ARG A 657 -9.994 10.862 2.201 1.00 44.03 C ATOM 1105 CG ARG A 657 -9.904 12.213 1.484 1.00 1.11 C ATOM 1106 CD ARG A 657 -11.144 13.071 1.728 1.00 35.01 C ATOM 1107 NE ARG A 657 -12.357 12.487 1.138 1.00 44.13 N ATOM 1108 CZ ARG A 657 -13.491 12.234 1.798 1.00 34.24 C ATOM 1109 NH1 ARG A 657 -13.593 12.511 3.101 1.00 12.34 N ATOM 1110 NH2 ARG A 657 -14.524 11.719 1.148 1.00 10.23 N ATOM 0 H ARG A 657 -9.431 9.697 0.091 1.00 54.44 H new ATOM 0 HA ARG A 657 -7.895 10.581 2.295 1.00 2.13 H new ATOM 0 HB2 ARG A 657 -10.869 10.326 1.834 1.00 44.03 H new ATOM 0 HB3 ARG A 657 -10.151 11.038 3.265 1.00 44.03 H new ATOM 0 HG2 ARG A 657 -9.019 12.748 1.828 1.00 1.11 H new ATOM 0 HG3 ARG A 657 -9.781 12.048 0.414 1.00 1.11 H new ATOM 0 HD2 ARG A 657 -11.290 13.196 2.801 1.00 35.01 H new ATOM 0 HD3 ARG A 657 -10.983 14.065 1.310 1.00 35.01 H new ATOM 0 HE ARG A 657 -12.331 12.256 0.145 1.00 44.13 H new ATOM 0 HH11 ARG A 657 -12.802 12.919 3.599 1.00 12.34 H new ATOM 0 HH12 ARG A 657 -14.462 12.315 3.598 1.00 12.34 H new ATOM 0 HH21 ARG A 657 -14.450 11.518 0.151 1.00 10.23 H new ATOM 0 HH22 ARG A 657 -15.393 11.523 1.645 1.00 10.23 H new ATOM 1122 N SER A 658 -8.635 9.016 4.232 1.00 52.21 N ATOM 1123 CA SER A 658 -8.533 7.996 5.251 1.00 33.11 C ATOM 1124 C SER A 658 -9.719 7.054 5.222 1.00 31.43 C ATOM 1125 O SER A 658 -10.875 7.475 5.382 1.00 2.20 O ATOM 1126 CB SER A 658 -8.427 8.677 6.604 1.00 74.42 C ATOM 1127 OG SER A 658 -9.480 9.623 6.760 1.00 44.22 O ATOM 0 H SER A 658 -8.584 9.965 4.603 1.00 52.21 H new ATOM 0 HA SER A 658 -7.645 7.393 5.062 1.00 33.11 H new ATOM 0 HB2 SER A 658 -8.476 7.933 7.399 1.00 74.42 H new ATOM 0 HB3 SER A 658 -7.462 9.177 6.694 1.00 74.42 H new ATOM 0 HG SER A 658 -10.267 9.322 6.259 1.00 44.22 H new ATOM 1133 N ASN A 659 -9.433 5.799 5.010 1.00 64.12 N ATOM 1134 CA ASN A 659 -10.445 4.791 4.903 1.00 13.52 C ATOM 1135 C ASN A 659 -9.896 3.520 5.477 1.00 3.24 C ATOM 1136 O ASN A 659 -8.695 3.282 5.405 1.00 44.01 O ATOM 1137 CB ASN A 659 -10.800 4.588 3.441 1.00 1.50 C ATOM 1138 CG ASN A 659 -12.010 3.711 3.234 1.00 11.25 C ATOM 1139 OD1 ASN A 659 -12.918 3.669 4.057 1.00 73.54 O ATOM 1140 ND2 ASN A 659 -12.025 3.006 2.153 1.00 74.30 N ATOM 0 H ASN A 659 -8.481 5.447 4.906 1.00 64.12 H new ATOM 0 HA ASN A 659 -11.343 5.089 5.444 1.00 13.52 H new ATOM 0 HB2 ASN A 659 -10.982 5.559 2.981 1.00 1.50 H new ATOM 0 HB3 ASN A 659 -9.947 4.145 2.926 1.00 1.50 H new ATOM 0 HD21 ASN A 659 -12.812 2.386 1.959 1.00 74.30 H new ATOM 0 HD22 ASN A 659 -11.250 3.069 1.492 1.00 74.30 H new ATOM 1146 N ALA A 660 -10.729 2.716 6.051 1.00 70.31 N ATOM 1147 CA ALA A 660 -10.255 1.514 6.676 1.00 4.05 C ATOM 1148 C ALA A 660 -10.846 0.283 6.043 1.00 5.23 C ATOM 1149 O ALA A 660 -10.597 -0.840 6.507 1.00 41.44 O ATOM 1150 CB ALA A 660 -10.556 1.546 8.158 1.00 71.35 C ATOM 0 H ALA A 660 -11.737 2.863 6.103 1.00 70.31 H new ATOM 0 HA ALA A 660 -9.176 1.466 6.531 1.00 4.05 H new ATOM 0 HB1 ALA A 660 -10.192 0.630 8.623 1.00 71.35 H new ATOM 0 HB2 ALA A 660 -10.060 2.404 8.611 1.00 71.35 H new ATOM 0 HB3 ALA A 660 -11.632 1.627 8.309 1.00 71.35 H new ATOM 1156 N LYS A 661 -11.594 0.482 4.975 1.00 12.33 N ATOM 1157 CA LYS A 661 -12.289 -0.612 4.328 1.00 73.13 C ATOM 1158 C LYS A 661 -11.327 -1.514 3.583 1.00 54.54 C ATOM 1159 O LYS A 661 -10.787 -1.136 2.534 1.00 33.44 O ATOM 1160 CB LYS A 661 -13.329 -0.123 3.314 1.00 31.40 C ATOM 1161 CG LYS A 661 -14.312 0.901 3.795 1.00 22.13 C ATOM 1162 CD LYS A 661 -15.043 0.471 5.028 1.00 41.05 C ATOM 1163 CE LYS A 661 -16.176 1.424 5.301 1.00 53.23 C ATOM 1164 NZ LYS A 661 -15.728 2.839 5.325 1.00 2.11 N ATOM 0 H LYS A 661 -11.736 1.392 4.537 1.00 12.33 H new ATOM 0 HA LYS A 661 -12.785 -1.156 5.132 1.00 73.13 H new ATOM 0 HB2 LYS A 661 -12.799 0.291 2.457 1.00 31.40 H new ATOM 0 HB3 LYS A 661 -13.887 -0.988 2.956 1.00 31.40 H new ATOM 0 HG2 LYS A 661 -13.787 1.835 3.997 1.00 22.13 H new ATOM 0 HG3 LYS A 661 -15.033 1.105 3.004 1.00 22.13 H new ATOM 0 HD2 LYS A 661 -15.428 -0.541 4.901 1.00 41.05 H new ATOM 0 HD3 LYS A 661 -14.361 0.448 5.878 1.00 41.05 H new ATOM 0 HE2 LYS A 661 -16.943 1.301 4.537 1.00 53.23 H new ATOM 0 HE3 LYS A 661 -16.636 1.174 6.257 1.00 53.23 H new ATOM 0 HZ1 LYS A 661 -16.466 3.429 5.759 1.00 2.11 H new ATOM 0 HZ2 LYS A 661 -14.852 2.916 5.880 1.00 2.11 H new ATOM 0 HZ3 LYS A 661 -15.552 3.164 4.353 1.00 2.11 H new ATOM 1178 N LEU A 662 -11.091 -2.672 4.114 1.00 24.41 N ATOM 1179 CA LEU A 662 -10.334 -3.651 3.396 1.00 0.03 C ATOM 1180 C LEU A 662 -11.306 -4.409 2.525 1.00 13.42 C ATOM 1181 O LEU A 662 -12.448 -4.617 2.911 1.00 1.41 O ATOM 1182 CB LEU A 662 -9.617 -4.630 4.326 1.00 13.31 C ATOM 1183 CG LEU A 662 -8.584 -4.080 5.304 1.00 42.51 C ATOM 1184 CD1 LEU A 662 -7.897 -5.226 6.018 1.00 64.42 C ATOM 1185 CD2 LEU A 662 -7.573 -3.204 4.604 1.00 5.24 C ATOM 0 H LEU A 662 -11.409 -2.963 5.038 1.00 24.41 H new ATOM 0 HA LEU A 662 -9.563 -3.149 2.812 1.00 0.03 H new ATOM 0 HB2 LEU A 662 -10.377 -5.153 4.906 1.00 13.31 H new ATOM 0 HB3 LEU A 662 -9.121 -5.375 3.704 1.00 13.31 H new ATOM 0 HG LEU A 662 -9.100 -3.459 6.037 1.00 42.51 H new ATOM 0 HD11 LEU A 662 -7.159 -4.830 6.716 1.00 64.42 H new ATOM 0 HD12 LEU A 662 -8.637 -5.810 6.565 1.00 64.42 H new ATOM 0 HD13 LEU A 662 -7.399 -5.864 5.287 1.00 64.42 H new ATOM 0 HD21 LEU A 662 -6.852 -2.829 5.330 1.00 5.24 H new ATOM 0 HD22 LEU A 662 -7.053 -3.786 3.843 1.00 5.24 H new ATOM 0 HD23 LEU A 662 -8.084 -2.364 4.133 1.00 5.24 H new ATOM 1193 N SER A 663 -10.899 -4.783 1.376 1.00 2.22 N ATOM 1194 CA SER A 663 -11.743 -5.510 0.492 1.00 52.31 C ATOM 1195 C SER A 663 -11.116 -6.861 0.225 1.00 33.22 C ATOM 1196 O SER A 663 -9.962 -6.954 -0.137 1.00 44.24 O ATOM 1197 CB SER A 663 -11.928 -4.716 -0.799 1.00 65.31 C ATOM 1198 OG SER A 663 -12.423 -3.411 -0.497 1.00 1.40 O ATOM 0 H SER A 663 -9.965 -4.596 1.012 1.00 2.22 H new ATOM 0 HA SER A 663 -12.727 -5.664 0.936 1.00 52.31 H new ATOM 0 HB2 SER A 663 -10.979 -4.641 -1.330 1.00 65.31 H new ATOM 0 HB3 SER A 663 -12.623 -5.235 -1.460 1.00 65.31 H new ATOM 0 HG SER A 663 -12.055 -2.766 -1.136 1.00 1.40 H new ATOM 1204 N TYR A 664 -11.845 -7.884 0.412 1.00 32.44 N ATOM 1205 CA TYR A 664 -11.315 -9.177 0.212 1.00 41.32 C ATOM 1206 C TYR A 664 -12.006 -9.804 -0.959 1.00 2.41 C ATOM 1207 O TYR A 664 -13.226 -9.934 -0.994 1.00 65.14 O ATOM 1208 CB TYR A 664 -11.447 -10.014 1.501 1.00 22.34 C ATOM 1209 CG TYR A 664 -10.833 -11.409 1.466 1.00 55.44 C ATOM 1210 CD1 TYR A 664 -9.754 -11.714 0.642 1.00 4.51 C ATOM 1211 CD2 TYR A 664 -11.323 -12.410 2.292 1.00 32.41 C ATOM 1212 CE1 TYR A 664 -9.192 -12.976 0.636 1.00 74.24 C ATOM 1213 CE2 TYR A 664 -10.767 -13.675 2.290 1.00 72.21 C ATOM 1214 CZ TYR A 664 -9.703 -13.952 1.459 1.00 41.22 C ATOM 1215 OH TYR A 664 -9.143 -15.217 1.453 1.00 41.30 O ATOM 0 H TYR A 664 -12.821 -7.856 0.706 1.00 32.44 H new ATOM 0 HA TYR A 664 -10.250 -9.125 -0.013 1.00 41.32 H new ATOM 0 HB2 TYR A 664 -10.987 -9.458 2.318 1.00 22.34 H new ATOM 0 HB3 TYR A 664 -12.506 -10.112 1.738 1.00 22.34 H new ATOM 0 HD1 TYR A 664 -9.348 -10.950 -0.005 1.00 4.51 H new ATOM 0 HD2 TYR A 664 -12.154 -12.197 2.948 1.00 32.41 H new ATOM 0 HE1 TYR A 664 -8.356 -13.195 -0.012 1.00 74.24 H new ATOM 0 HE2 TYR A 664 -11.164 -14.443 2.937 1.00 72.21 H new ATOM 0 HH TYR A 664 -8.623 -15.348 2.273 1.00 41.30 H new ATOM 1225 N TYR A 665 -11.221 -10.127 -1.925 1.00 33.11 N ATOM 1226 CA TYR A 665 -11.657 -10.771 -3.107 1.00 60.11 C ATOM 1227 C TYR A 665 -11.264 -12.187 -2.945 1.00 62.10 C ATOM 1228 O TYR A 665 -10.226 -12.440 -2.358 1.00 10.03 O ATOM 1229 CB TYR A 665 -10.952 -10.153 -4.318 1.00 0.41 C ATOM 1230 CG TYR A 665 -11.374 -10.757 -5.622 1.00 25.11 C ATOM 1231 CD1 TYR A 665 -12.668 -10.618 -6.056 1.00 42.12 C ATOM 1232 CD2 TYR A 665 -10.491 -11.483 -6.404 1.00 33.00 C ATOM 1233 CE1 TYR A 665 -13.089 -11.168 -7.225 1.00 44.10 C ATOM 1234 CE2 TYR A 665 -10.904 -12.048 -7.590 1.00 5.31 C ATOM 1235 CZ TYR A 665 -12.212 -11.886 -7.997 1.00 41.04 C ATOM 1236 OH TYR A 665 -12.647 -12.447 -9.182 1.00 41.40 O ATOM 0 H TYR A 665 -10.218 -9.941 -1.910 1.00 33.11 H new ATOM 0 HA TYR A 665 -12.730 -10.668 -3.267 1.00 60.11 H new ATOM 0 HB2 TYR A 665 -11.154 -9.082 -4.340 1.00 0.41 H new ATOM 0 HB3 TYR A 665 -9.875 -10.272 -4.202 1.00 0.41 H new ATOM 0 HD1 TYR A 665 -13.369 -10.058 -5.454 1.00 42.12 H new ATOM 0 HD2 TYR A 665 -9.468 -11.607 -6.080 1.00 33.00 H new ATOM 0 HE1 TYR A 665 -14.112 -11.040 -7.546 1.00 44.10 H new ATOM 0 HE2 TYR A 665 -10.210 -12.612 -8.196 1.00 5.31 H new ATOM 0 HH TYR A 665 -11.905 -12.922 -9.611 1.00 41.40 H new ATOM 1246 N ASP A 666 -12.088 -13.118 -3.380 1.00 1.44 N ATOM 1247 CA ASP A 666 -11.724 -14.515 -3.226 1.00 64.12 C ATOM 1248 C ASP A 666 -10.348 -14.741 -3.854 1.00 41.45 C ATOM 1249 O ASP A 666 -10.152 -14.544 -5.063 1.00 3.24 O ATOM 1250 CB ASP A 666 -12.778 -15.424 -3.862 1.00 43.43 C ATOM 1251 CG ASP A 666 -12.482 -16.891 -3.660 1.00 72.03 C ATOM 1252 OD1 ASP A 666 -12.718 -17.406 -2.551 1.00 3.01 O ATOM 1253 OD2 ASP A 666 -12.036 -17.562 -4.614 1.00 42.21 O ATOM 0 H ASP A 666 -12.987 -12.944 -3.829 1.00 1.44 H new ATOM 0 HA ASP A 666 -11.679 -14.766 -2.166 1.00 64.12 H new ATOM 0 HB2 ASP A 666 -13.755 -15.193 -3.437 1.00 43.43 H new ATOM 0 HB3 ASP A 666 -12.837 -15.213 -4.930 1.00 43.43 H new ATOM 1258 N GLY A 667 -9.412 -15.133 -3.028 1.00 15.11 N ATOM 1259 CA GLY A 667 -8.052 -15.258 -3.454 1.00 73.42 C ATOM 1260 C GLY A 667 -7.131 -14.229 -2.779 1.00 60.23 C ATOM 1261 O GLY A 667 -6.324 -14.589 -1.917 1.00 61.11 O ATOM 0 H GLY A 667 -9.574 -15.372 -2.050 1.00 15.11 H new ATOM 0 HA2 GLY A 667 -7.695 -16.263 -3.231 1.00 73.42 H new ATOM 0 HA3 GLY A 667 -8.000 -15.134 -4.536 1.00 73.42 H new ATOM 1265 N MET A 668 -7.281 -12.942 -3.123 1.00 1.41 N ATOM 1266 CA MET A 668 -6.362 -11.906 -2.621 1.00 1.12 C ATOM 1267 C MET A 668 -7.108 -10.739 -1.985 1.00 5.44 C ATOM 1268 O MET A 668 -8.290 -10.520 -2.235 1.00 53.12 O ATOM 1269 CB MET A 668 -5.426 -11.337 -3.720 1.00 22.53 C ATOM 1270 CG MET A 668 -4.540 -12.348 -4.462 1.00 73.34 C ATOM 1271 SD MET A 668 -5.456 -13.436 -5.586 1.00 65.55 S ATOM 1272 CE MET A 668 -4.128 -14.453 -6.232 1.00 73.14 C ATOM 0 H MET A 668 -8.018 -12.595 -3.737 1.00 1.41 H new ATOM 0 HA MET A 668 -5.757 -12.415 -1.871 1.00 1.12 H new ATOM 0 HB2 MET A 668 -6.041 -10.819 -4.456 1.00 22.53 H new ATOM 0 HB3 MET A 668 -4.779 -10.589 -3.262 1.00 22.53 H new ATOM 0 HG2 MET A 668 -3.785 -11.806 -5.031 1.00 73.34 H new ATOM 0 HG3 MET A 668 -4.011 -12.959 -3.731 1.00 73.34 H new ATOM 0 HE1 MET A 668 -4.534 -15.175 -6.940 1.00 73.14 H new ATOM 0 HE2 MET A 668 -3.398 -13.820 -6.737 1.00 73.14 H new ATOM 0 HE3 MET A 668 -3.643 -14.983 -5.412 1.00 73.14 H new ATOM 1282 N ILE A 669 -6.396 -9.977 -1.199 1.00 45.22 N ATOM 1283 CA ILE A 669 -6.954 -8.838 -0.501 1.00 15.31 C ATOM 1284 C ILE A 669 -6.647 -7.555 -1.280 1.00 51.03 C ATOM 1285 O ILE A 669 -5.578 -7.416 -1.854 1.00 20.22 O ATOM 1286 CB ILE A 669 -6.387 -8.731 0.954 1.00 61.41 C ATOM 1287 CG1 ILE A 669 -6.659 -10.036 1.722 1.00 21.24 C ATOM 1288 CG2 ILE A 669 -7.003 -7.538 1.700 1.00 44.33 C ATOM 1289 CD1 ILE A 669 -6.119 -10.051 3.138 1.00 63.14 C ATOM 0 H ILE A 669 -5.403 -10.126 -1.020 1.00 45.22 H new ATOM 0 HA ILE A 669 -8.033 -8.974 -0.432 1.00 15.31 H new ATOM 0 HB ILE A 669 -5.311 -8.571 0.891 1.00 61.41 H new ATOM 0 HG12 ILE A 669 -7.735 -10.207 1.754 1.00 21.24 H new ATOM 0 HG13 ILE A 669 -6.220 -10.867 1.170 1.00 21.24 H new ATOM 0 HG21 ILE A 669 -6.591 -7.487 2.708 1.00 44.33 H new ATOM 0 HG22 ILE A 669 -6.771 -6.616 1.167 1.00 44.33 H new ATOM 0 HG23 ILE A 669 -8.084 -7.663 1.755 1.00 44.33 H new ATOM 0 HD11 ILE A 669 -6.354 -11.006 3.607 1.00 63.14 H new ATOM 0 HD12 ILE A 669 -5.038 -9.914 3.117 1.00 63.14 H new ATOM 0 HD13 ILE A 669 -6.576 -9.244 3.710 1.00 63.14 H new ATOM 1296 N GLN A 670 -7.601 -6.671 -1.342 1.00 51.34 N ATOM 1297 CA GLN A 670 -7.449 -5.380 -1.974 1.00 21.12 C ATOM 1298 C GLN A 670 -7.865 -4.301 -0.978 1.00 73.11 C ATOM 1299 O GLN A 670 -8.707 -4.534 -0.138 1.00 51.23 O ATOM 1300 CB GLN A 670 -8.288 -5.285 -3.271 1.00 12.51 C ATOM 1301 CG GLN A 670 -7.821 -6.210 -4.406 1.00 22.33 C ATOM 1302 CD GLN A 670 -8.719 -6.153 -5.638 1.00 63.01 C ATOM 1303 OE1 GLN A 670 -8.506 -5.359 -6.548 1.00 40.12 O ATOM 1304 NE2 GLN A 670 -9.721 -6.992 -5.671 1.00 63.40 N ATOM 0 H GLN A 670 -8.529 -6.825 -0.948 1.00 51.34 H new ATOM 0 HA GLN A 670 -6.407 -5.239 -2.259 1.00 21.12 H new ATOM 0 HB2 GLN A 670 -9.326 -5.518 -3.034 1.00 12.51 H new ATOM 0 HB3 GLN A 670 -8.266 -4.255 -3.627 1.00 12.51 H new ATOM 0 HG2 GLN A 670 -6.805 -5.938 -4.692 1.00 22.33 H new ATOM 0 HG3 GLN A 670 -7.785 -7.235 -4.038 1.00 22.33 H new ATOM 0 HE21 GLN A 670 -9.870 -7.639 -4.897 1.00 63.40 H new ATOM 0 HE22 GLN A 670 -10.354 -6.999 -6.471 1.00 63.40 H new ATOM 1312 N LEU A 671 -7.263 -3.160 -1.034 1.00 41.12 N ATOM 1313 CA LEU A 671 -7.640 -2.093 -0.129 1.00 61.50 C ATOM 1314 C LEU A 671 -8.110 -0.943 -0.984 1.00 44.03 C ATOM 1315 O LEU A 671 -7.376 -0.489 -1.864 1.00 64.11 O ATOM 1316 CB LEU A 671 -6.428 -1.670 0.734 1.00 53.20 C ATOM 1317 CG LEU A 671 -6.694 -0.926 2.068 1.00 54.01 C ATOM 1318 CD1 LEU A 671 -5.393 -0.562 2.737 1.00 42.34 C ATOM 1319 CD2 LEU A 671 -7.584 0.294 1.926 1.00 44.40 C ATOM 0 H LEU A 671 -6.513 -2.930 -1.686 1.00 41.12 H new ATOM 0 HA LEU A 671 -8.427 -2.415 0.552 1.00 61.50 H new ATOM 0 HB2 LEU A 671 -5.855 -2.568 0.964 1.00 53.20 H new ATOM 0 HB3 LEU A 671 -5.790 -1.033 0.121 1.00 53.20 H new ATOM 0 HG LEU A 671 -7.246 -1.624 2.697 1.00 54.01 H new ATOM 0 HD11 LEU A 671 -5.598 -0.040 3.672 1.00 42.34 H new ATOM 0 HD12 LEU A 671 -4.824 -1.469 2.944 1.00 42.34 H new ATOM 0 HD13 LEU A 671 -4.815 0.087 2.079 1.00 42.34 H new ATOM 0 HD21 LEU A 671 -7.723 0.759 2.902 1.00 44.40 H new ATOM 0 HD22 LEU A 671 -7.117 1.008 1.247 1.00 44.40 H new ATOM 0 HD23 LEU A 671 -8.553 -0.007 1.527 1.00 44.40 H new ATOM 1327 N THR A 672 -9.303 -0.486 -0.737 1.00 74.35 N ATOM 1328 CA THR A 672 -9.891 0.564 -1.517 1.00 51.32 C ATOM 1329 C THR A 672 -9.904 1.862 -0.700 1.00 4.23 C ATOM 1330 O THR A 672 -10.309 1.861 0.454 1.00 54.15 O ATOM 1331 CB THR A 672 -11.350 0.182 -1.870 1.00 11.42 C ATOM 1332 OG1 THR A 672 -11.381 -1.150 -2.426 1.00 15.41 O ATOM 1333 CG2 THR A 672 -11.941 1.163 -2.881 1.00 62.42 C ATOM 0 H THR A 672 -9.899 -0.833 0.015 1.00 74.35 H new ATOM 0 HA THR A 672 -9.311 0.706 -2.429 1.00 51.32 H new ATOM 0 HB THR A 672 -11.945 0.220 -0.957 1.00 11.42 H new ATOM 0 HG1 THR A 672 -12.305 -1.391 -2.647 1.00 15.41 H new ATOM 0 HG21 THR A 672 -12.966 0.873 -3.113 1.00 62.42 H new ATOM 0 HG22 THR A 672 -11.934 2.168 -2.459 1.00 62.42 H new ATOM 0 HG23 THR A 672 -11.345 1.148 -3.793 1.00 62.42 H new ATOM 1339 N TYR A 673 -9.432 2.944 -1.269 1.00 63.33 N ATOM 1340 CA TYR A 673 -9.503 4.220 -0.593 1.00 75.53 C ATOM 1341 C TYR A 673 -10.568 5.131 -1.149 1.00 12.41 C ATOM 1342 O TYR A 673 -11.213 4.824 -2.152 1.00 43.10 O ATOM 1343 CB TYR A 673 -8.158 4.921 -0.494 1.00 70.40 C ATOM 1344 CG TYR A 673 -7.300 4.395 0.617 1.00 3.43 C ATOM 1345 CD1 TYR A 673 -7.587 4.757 1.916 1.00 12.10 C ATOM 1346 CD2 TYR A 673 -6.238 3.533 0.391 1.00 54.43 C ATOM 1347 CE1 TYR A 673 -6.853 4.292 2.965 1.00 13.00 C ATOM 1348 CE2 TYR A 673 -5.491 3.051 1.454 1.00 51.43 C ATOM 1349 CZ TYR A 673 -5.814 3.444 2.742 1.00 51.34 C ATOM 1350 OH TYR A 673 -5.115 2.967 3.807 1.00 5.01 O ATOM 0 H TYR A 673 -8.997 2.969 -2.191 1.00 63.33 H new ATOM 0 HA TYR A 673 -9.804 3.978 0.426 1.00 75.53 H new ATOM 0 HB2 TYR A 673 -7.627 4.809 -1.439 1.00 70.40 H new ATOM 0 HB3 TYR A 673 -8.322 5.988 -0.344 1.00 70.40 H new ATOM 0 HD1 TYR A 673 -8.414 5.425 2.106 1.00 12.10 H new ATOM 0 HD2 TYR A 673 -5.992 3.236 -0.618 1.00 54.43 H new ATOM 0 HE1 TYR A 673 -7.096 4.596 3.972 1.00 13.00 H new ATOM 0 HE2 TYR A 673 -4.666 2.376 1.280 1.00 51.43 H new ATOM 0 HH TYR A 673 -4.240 2.645 3.506 1.00 5.01 H new ATOM 1360 N ARG A 674 -10.750 6.247 -0.477 1.00 63.24 N ATOM 1361 CA ARG A 674 -11.758 7.233 -0.819 1.00 61.34 C ATOM 1362 C ARG A 674 -11.334 8.083 -2.003 1.00 61.30 C ATOM 1363 O ARG A 674 -10.244 7.924 -2.530 1.00 73.43 O ATOM 1364 CB ARG A 674 -12.077 8.121 0.388 1.00 3.24 C ATOM 1365 CG ARG A 674 -12.626 7.361 1.582 1.00 72.12 C ATOM 1366 CD ARG A 674 -13.951 6.675 1.255 1.00 70.43 C ATOM 1367 NE ARG A 674 -14.986 7.648 0.889 1.00 5.01 N ATOM 1368 CZ ARG A 674 -15.890 7.493 -0.091 1.00 32.44 C ATOM 1369 NH1 ARG A 674 -15.919 6.375 -0.827 1.00 1.21 N ATOM 1370 NH2 ARG A 674 -16.767 8.453 -0.320 1.00 0.12 N ATOM 0 H ARG A 674 -10.192 6.501 0.338 1.00 63.24 H new ATOM 0 HA ARG A 674 -12.659 6.691 -1.106 1.00 61.34 H new ATOM 0 HB2 ARG A 674 -11.171 8.647 0.690 1.00 3.24 H new ATOM 0 HB3 ARG A 674 -12.801 8.879 0.088 1.00 3.24 H new ATOM 0 HG2 ARG A 674 -11.900 6.615 1.904 1.00 72.12 H new ATOM 0 HG3 ARG A 674 -12.768 8.048 2.416 1.00 72.12 H new ATOM 0 HD2 ARG A 674 -13.805 5.972 0.435 1.00 70.43 H new ATOM 0 HD3 ARG A 674 -14.284 6.095 2.116 1.00 70.43 H new ATOM 0 HE ARG A 674 -15.022 8.515 1.424 1.00 5.01 H new ATOM 0 HH11 ARG A 674 -15.249 5.628 -0.646 1.00 1.21 H new ATOM 0 HH12 ARG A 674 -16.611 6.270 -1.569 1.00 1.21 H new ATOM 0 HH21 ARG A 674 -16.753 9.302 0.245 1.00 0.12 H new ATOM 0 HH22 ARG A 674 -17.458 8.346 -1.062 1.00 0.12 H new ATOM 1382 N ASP A 675 -12.214 8.984 -2.373 1.00 35.12 N ATOM 1383 CA ASP A 675 -12.060 9.910 -3.510 1.00 32.05 C ATOM 1384 C ASP A 675 -10.725 10.695 -3.510 1.00 1.22 C ATOM 1385 O ASP A 675 -10.128 10.906 -4.563 1.00 35.31 O ATOM 1386 CB ASP A 675 -13.239 10.896 -3.465 1.00 44.53 C ATOM 1387 CG ASP A 675 -13.484 11.424 -2.051 1.00 15.25 C ATOM 1388 OD1 ASP A 675 -12.678 12.217 -1.532 1.00 54.41 O ATOM 1389 OD2 ASP A 675 -14.460 10.978 -1.410 1.00 60.43 O ATOM 0 H ASP A 675 -13.098 9.110 -1.881 1.00 35.12 H new ATOM 0 HA ASP A 675 -12.049 9.316 -4.424 1.00 32.05 H new ATOM 0 HB2 ASP A 675 -13.040 11.732 -4.136 1.00 44.53 H new ATOM 0 HB3 ASP A 675 -14.140 10.402 -3.830 1.00 44.53 H new ATOM 1394 N GLY A 676 -10.292 11.123 -2.352 1.00 32.33 N ATOM 1395 CA GLY A 676 -9.013 11.798 -2.226 1.00 71.22 C ATOM 1396 C GLY A 676 -9.015 13.183 -2.849 1.00 51.41 C ATOM 1397 O GLY A 676 -9.612 14.123 -2.316 1.00 61.42 O ATOM 0 H GLY A 676 -10.804 11.018 -1.476 1.00 32.33 H new ATOM 0 HA2 GLY A 676 -8.753 11.880 -1.171 1.00 71.22 H new ATOM 0 HA3 GLY A 676 -8.240 11.193 -2.699 1.00 71.22 H new ATOM 1401 N THR A 677 -8.319 13.310 -3.937 1.00 15.31 N ATOM 1402 CA THR A 677 -8.270 14.514 -4.710 1.00 2.11 C ATOM 1403 C THR A 677 -8.397 14.161 -6.189 1.00 21.00 C ATOM 1404 O THR A 677 -7.686 13.296 -6.674 1.00 50.24 O ATOM 1405 CB THR A 677 -6.980 15.327 -4.415 1.00 43.14 C ATOM 1406 OG1 THR A 677 -7.060 15.859 -3.078 1.00 35.13 O ATOM 1407 CG2 THR A 677 -6.762 16.464 -5.409 1.00 61.21 C ATOM 0 H THR A 677 -7.752 12.556 -4.324 1.00 15.31 H new ATOM 0 HA THR A 677 -9.105 15.156 -4.430 1.00 2.11 H new ATOM 0 HB THR A 677 -6.130 14.652 -4.514 1.00 43.14 H new ATOM 0 HG1 THR A 677 -6.249 16.373 -2.881 1.00 35.13 H new ATOM 0 HG21 THR A 677 -5.847 16.999 -5.155 1.00 61.21 H new ATOM 0 HG22 THR A 677 -6.677 16.056 -6.416 1.00 61.21 H new ATOM 0 HG23 THR A 677 -7.607 17.151 -5.367 1.00 61.21 H new ATOM 1413 N PRO A 678 -9.330 14.782 -6.908 1.00 5.13 N ATOM 1414 CA PRO A 678 -9.568 14.492 -8.308 1.00 74.04 C ATOM 1415 C PRO A 678 -8.513 15.077 -9.238 1.00 24.11 C ATOM 1416 O PRO A 678 -7.803 16.029 -8.881 1.00 12.13 O ATOM 1417 CB PRO A 678 -10.933 15.107 -8.566 1.00 61.21 C ATOM 1418 CG PRO A 678 -10.942 16.296 -7.684 1.00 55.44 C ATOM 1419 CD PRO A 678 -10.257 15.839 -6.420 1.00 51.44 C ATOM 0 HA PRO A 678 -9.523 13.422 -8.509 1.00 74.04 H new ATOM 0 HB2 PRO A 678 -11.059 15.382 -9.613 1.00 61.21 H new ATOM 0 HB3 PRO A 678 -11.739 14.416 -8.318 1.00 61.21 H new ATOM 0 HG2 PRO A 678 -10.413 17.132 -8.141 1.00 55.44 H new ATOM 0 HG3 PRO A 678 -11.959 16.633 -7.484 1.00 55.44 H new ATOM 0 HD2 PRO A 678 -9.721 16.654 -5.934 1.00 51.44 H new ATOM 0 HD3 PRO A 678 -10.969 15.448 -5.693 1.00 51.44 H new ATOM 1427 N TYR A 679 -8.361 14.444 -10.400 1.00 53.02 N ATOM 1428 CA TYR A 679 -7.457 14.934 -11.444 1.00 30.40 C ATOM 1429 C TYR A 679 -7.886 16.326 -11.832 1.00 63.42 C ATOM 1430 O TYR A 679 -9.090 16.638 -11.797 1.00 25.31 O ATOM 1431 CB TYR A 679 -7.562 14.134 -12.749 1.00 5.10 C ATOM 1432 CG TYR A 679 -7.229 12.672 -12.758 1.00 11.43 C ATOM 1433 CD1 TYR A 679 -8.105 11.732 -12.265 1.00 14.04 C ATOM 1434 CD2 TYR A 679 -6.058 12.232 -13.345 1.00 75.13 C ATOM 1435 CE1 TYR A 679 -7.827 10.393 -12.347 1.00 41.34 C ATOM 1436 CE2 TYR A 679 -5.764 10.898 -13.424 1.00 45.15 C ATOM 1437 CZ TYR A 679 -6.653 9.982 -12.926 1.00 20.14 C ATOM 1438 OH TYR A 679 -6.384 8.653 -13.033 1.00 55.51 O ATOM 0 H TYR A 679 -8.855 13.586 -10.645 1.00 53.02 H new ATOM 0 HA TYR A 679 -6.450 14.864 -11.033 1.00 30.40 H new ATOM 0 HB2 TYR A 679 -8.585 14.236 -13.111 1.00 5.10 H new ATOM 0 HB3 TYR A 679 -6.915 14.619 -13.480 1.00 5.10 H new ATOM 0 HD1 TYR A 679 -9.027 12.055 -11.806 1.00 14.04 H new ATOM 0 HD2 TYR A 679 -5.363 12.953 -13.748 1.00 75.13 H new ATOM 0 HE1 TYR A 679 -8.526 9.667 -11.959 1.00 41.34 H new ATOM 0 HE2 TYR A 679 -4.839 10.570 -13.875 1.00 45.15 H new ATOM 0 HH TYR A 679 -5.423 8.524 -13.176 1.00 55.51 H new ATOM 1533 N THR A 685 -12.291 13.805 -11.737 1.00 21.12 N ATOM 1534 CA THR A 685 -12.302 12.407 -11.418 1.00 62.02 C ATOM 1535 C THR A 685 -11.415 12.141 -10.204 1.00 51.25 C ATOM 1536 O THR A 685 -10.220 12.428 -10.252 1.00 73.12 O ATOM 1537 CB THR A 685 -11.746 11.618 -12.610 1.00 43.43 C ATOM 1538 OG1 THR A 685 -12.501 11.926 -13.786 1.00 3.14 O ATOM 1539 CG2 THR A 685 -11.788 10.134 -12.332 1.00 23.12 C ATOM 0 HA THR A 685 -13.324 12.099 -11.198 1.00 62.02 H new ATOM 0 HB THR A 685 -10.706 11.904 -12.768 1.00 43.43 H new ATOM 0 HG1 THR A 685 -12.781 12.865 -13.758 1.00 3.14 H new ATOM 0 HG21 THR A 685 -11.389 9.592 -13.189 1.00 23.12 H new ATOM 0 HG22 THR A 685 -11.187 9.912 -11.451 1.00 23.12 H new ATOM 0 HG23 THR A 685 -12.818 9.826 -12.155 1.00 23.12 H new ATOM 1545 N PRO A 686 -11.975 11.609 -9.100 1.00 43.22 N ATOM 1546 CA PRO A 686 -11.202 11.316 -7.885 1.00 11.11 C ATOM 1547 C PRO A 686 -10.082 10.301 -8.144 1.00 32.40 C ATOM 1548 O PRO A 686 -10.286 9.284 -8.828 1.00 70.22 O ATOM 1549 CB PRO A 686 -12.245 10.738 -6.921 1.00 3.45 C ATOM 1550 CG PRO A 686 -13.363 10.290 -7.789 1.00 4.42 C ATOM 1551 CD PRO A 686 -13.393 11.239 -8.945 1.00 45.30 C ATOM 0 HA PRO A 686 -10.700 12.202 -7.498 1.00 11.11 H new ATOM 0 HB2 PRO A 686 -11.834 9.908 -6.346 1.00 3.45 H new ATOM 0 HB3 PRO A 686 -12.578 11.488 -6.204 1.00 3.45 H new ATOM 0 HG2 PRO A 686 -13.207 9.266 -8.129 1.00 4.42 H new ATOM 0 HG3 PRO A 686 -14.308 10.306 -7.247 1.00 4.42 H new ATOM 0 HD2 PRO A 686 -13.789 10.768 -9.845 1.00 45.30 H new ATOM 0 HD3 PRO A 686 -14.018 12.108 -8.739 1.00 45.30 H new ATOM 1559 N ARG A 687 -8.914 10.592 -7.626 1.00 31.21 N ATOM 1560 CA ARG A 687 -7.763 9.735 -7.796 1.00 12.22 C ATOM 1561 C ARG A 687 -7.645 8.917 -6.531 1.00 24.34 C ATOM 1562 O ARG A 687 -7.479 9.470 -5.447 1.00 71.02 O ATOM 1563 CB ARG A 687 -6.506 10.598 -8.018 1.00 62.34 C ATOM 1564 CG ARG A 687 -6.724 11.663 -9.089 1.00 75.21 C ATOM 1565 CD ARG A 687 -5.551 12.617 -9.254 1.00 34.44 C ATOM 1566 NE ARG A 687 -4.426 12.057 -10.007 1.00 52.51 N ATOM 1567 CZ ARG A 687 -3.237 12.665 -10.138 1.00 41.32 C ATOM 1568 NH1 ARG A 687 -3.009 13.824 -9.531 1.00 64.13 N ATOM 1569 NH2 ARG A 687 -2.291 12.127 -10.887 1.00 75.32 N ATOM 0 H ARG A 687 -8.733 11.430 -7.074 1.00 31.21 H new ATOM 0 HA ARG A 687 -7.867 9.081 -8.662 1.00 12.22 H new ATOM 0 HB2 ARG A 687 -6.226 11.079 -7.081 1.00 62.34 H new ATOM 0 HB3 ARG A 687 -5.673 9.957 -8.308 1.00 62.34 H new ATOM 0 HG2 ARG A 687 -6.918 11.172 -10.043 1.00 75.21 H new ATOM 0 HG3 ARG A 687 -7.616 12.238 -8.840 1.00 75.21 H new ATOM 0 HD2 ARG A 687 -5.898 13.519 -9.758 1.00 34.44 H new ATOM 0 HD3 ARG A 687 -5.200 12.918 -8.267 1.00 34.44 H new ATOM 0 HE ARG A 687 -4.554 11.151 -10.458 1.00 52.51 H new ATOM 0 HH11 ARG A 687 -3.739 14.255 -8.963 1.00 64.13 H new ATOM 0 HH12 ARG A 687 -2.104 14.284 -9.633 1.00 64.13 H new ATOM 0 HH21 ARG A 687 -2.462 11.245 -11.369 1.00 75.32 H new ATOM 0 HH22 ARG A 687 -1.389 12.594 -10.983 1.00 75.32 H new ATOM 1581 N ALA A 688 -7.737 7.624 -6.662 1.00 54.02 N ATOM 1582 CA ALA A 688 -7.788 6.757 -5.501 1.00 23.14 C ATOM 1583 C ALA A 688 -6.763 5.659 -5.599 1.00 3.02 C ATOM 1584 O ALA A 688 -6.171 5.451 -6.650 1.00 3.31 O ATOM 1585 CB ALA A 688 -9.184 6.171 -5.346 1.00 53.41 C ATOM 0 H ALA A 688 -7.779 7.139 -7.558 1.00 54.02 H new ATOM 0 HA ALA A 688 -7.556 7.353 -4.619 1.00 23.14 H new ATOM 0 HB1 ALA A 688 -9.211 5.521 -4.471 1.00 53.41 H new ATOM 0 HB2 ALA A 688 -9.906 6.978 -5.221 1.00 53.41 H new ATOM 0 HB3 ALA A 688 -9.437 5.593 -6.235 1.00 53.41 H new ATOM 1591 N THR A 689 -6.543 4.983 -4.501 1.00 15.32 N ATOM 1592 CA THR A 689 -5.576 3.920 -4.421 1.00 33.35 C ATOM 1593 C THR A 689 -6.259 2.583 -4.123 1.00 13.02 C ATOM 1594 O THR A 689 -7.174 2.509 -3.286 1.00 4.32 O ATOM 1595 CB THR A 689 -4.549 4.233 -3.317 1.00 21.43 C ATOM 1596 OG1 THR A 689 -3.950 5.489 -3.600 1.00 72.45 O ATOM 1597 CG2 THR A 689 -3.466 3.169 -3.240 1.00 43.32 C ATOM 0 H THR A 689 -7.037 5.158 -3.626 1.00 15.32 H new ATOM 0 HA THR A 689 -5.069 3.843 -5.383 1.00 33.35 H new ATOM 0 HB THR A 689 -5.067 4.254 -2.358 1.00 21.43 H new ATOM 0 HG1 THR A 689 -4.528 6.209 -3.271 1.00 72.45 H new ATOM 0 HG21 THR A 689 -2.760 3.425 -2.450 1.00 43.32 H new ATOM 0 HG22 THR A 689 -3.920 2.202 -3.022 1.00 43.32 H new ATOM 0 HG23 THR A 689 -2.940 3.116 -4.193 1.00 43.32 H new ATOM 1603 N LEU A 690 -5.845 1.563 -4.839 1.00 33.44 N ATOM 1604 CA LEU A 690 -6.292 0.227 -4.642 1.00 40.12 C ATOM 1605 C LEU A 690 -5.038 -0.626 -4.471 1.00 42.53 C ATOM 1606 O LEU A 690 -4.220 -0.743 -5.380 1.00 32.23 O ATOM 1607 CB LEU A 690 -7.134 -0.230 -5.867 1.00 23.02 C ATOM 1608 CG LEU A 690 -7.903 -1.577 -5.781 1.00 1.11 C ATOM 1609 CD1 LEU A 690 -6.985 -2.770 -5.633 1.00 75.35 C ATOM 1610 CD2 LEU A 690 -8.905 -1.545 -4.651 1.00 25.23 C ATOM 0 H LEU A 690 -5.167 1.656 -5.595 1.00 33.44 H new ATOM 0 HA LEU A 690 -6.932 0.134 -3.765 1.00 40.12 H new ATOM 0 HB2 LEU A 690 -7.862 0.553 -6.079 1.00 23.02 H new ATOM 0 HB3 LEU A 690 -6.465 -0.285 -6.726 1.00 23.02 H new ATOM 0 HG LEU A 690 -8.429 -1.696 -6.728 1.00 1.11 H new ATOM 0 HD11 LEU A 690 -7.579 -3.682 -5.578 1.00 75.35 H new ATOM 0 HD12 LEU A 690 -6.317 -2.824 -6.492 1.00 75.35 H new ATOM 0 HD13 LEU A 690 -6.396 -2.665 -4.722 1.00 75.35 H new ATOM 0 HD21 LEU A 690 -9.434 -2.497 -4.607 1.00 25.23 H new ATOM 0 HD22 LEU A 690 -8.385 -1.374 -3.708 1.00 25.23 H new ATOM 0 HD23 LEU A 690 -9.620 -0.740 -4.822 1.00 25.23 H new ATOM 1618 N ILE A 691 -4.875 -1.198 -3.335 1.00 63.22 N ATOM 1619 CA ILE A 691 -3.700 -2.001 -3.077 1.00 13.31 C ATOM 1620 C ILE A 691 -4.082 -3.465 -3.187 1.00 44.40 C ATOM 1621 O ILE A 691 -5.050 -3.874 -2.592 1.00 53.22 O ATOM 1622 CB ILE A 691 -3.156 -1.728 -1.658 1.00 3.02 C ATOM 1623 CG1 ILE A 691 -2.890 -0.228 -1.469 1.00 14.55 C ATOM 1624 CG2 ILE A 691 -1.875 -2.525 -1.427 1.00 10.02 C ATOM 1625 CD1 ILE A 691 -2.464 0.153 -0.064 1.00 2.01 C ATOM 0 H ILE A 691 -5.532 -1.135 -2.557 1.00 63.22 H new ATOM 0 HA ILE A 691 -2.927 -1.748 -3.803 1.00 13.31 H new ATOM 0 HB ILE A 691 -3.903 -2.043 -0.929 1.00 3.02 H new ATOM 0 HG12 ILE A 691 -2.115 0.084 -2.169 1.00 14.55 H new ATOM 0 HG13 ILE A 691 -3.793 0.325 -1.726 1.00 14.55 H new ATOM 0 HG21 ILE A 691 -1.499 -2.326 -0.424 1.00 10.02 H new ATOM 0 HG22 ILE A 691 -2.085 -3.589 -1.531 1.00 10.02 H new ATOM 0 HG23 ILE A 691 -1.125 -2.229 -2.161 1.00 10.02 H new ATOM 0 HD11 ILE A 691 -2.296 1.229 -0.014 1.00 2.01 H new ATOM 0 HD12 ILE A 691 -3.247 -0.125 0.642 1.00 2.01 H new ATOM 0 HD13 ILE A 691 -1.543 -0.371 0.191 1.00 2.01 H new ATOM 1632 N THR A 692 -3.354 -4.227 -3.963 1.00 0.14 N ATOM 1633 CA THR A 692 -3.634 -5.619 -4.125 1.00 22.35 C ATOM 1634 C THR A 692 -2.551 -6.425 -3.397 1.00 24.34 C ATOM 1635 O THR A 692 -1.365 -6.347 -3.732 1.00 52.23 O ATOM 1636 CB THR A 692 -3.628 -5.967 -5.611 1.00 72.02 C ATOM 1637 OG1 THR A 692 -4.480 -5.026 -6.311 1.00 11.33 O ATOM 1638 CG2 THR A 692 -4.146 -7.380 -5.848 1.00 74.02 C ATOM 0 H THR A 692 -2.552 -3.894 -4.498 1.00 0.14 H new ATOM 0 HA THR A 692 -4.613 -5.857 -3.708 1.00 22.35 H new ATOM 0 HB THR A 692 -2.604 -5.912 -5.980 1.00 72.02 H new ATOM 0 HG1 THR A 692 -4.484 -5.237 -7.268 1.00 11.33 H new ATOM 0 HG21 THR A 692 -4.130 -7.599 -6.916 1.00 74.02 H new ATOM 0 HG22 THR A 692 -3.512 -8.093 -5.322 1.00 74.02 H new ATOM 0 HG23 THR A 692 -5.168 -7.460 -5.477 1.00 74.02 H new ATOM 1644 N PHE A 693 -2.965 -7.161 -2.419 1.00 1.24 N ATOM 1645 CA PHE A 693 -2.085 -7.914 -1.569 1.00 52.22 C ATOM 1646 C PHE A 693 -1.960 -9.319 -2.080 1.00 25.13 C ATOM 1647 O PHE A 693 -2.962 -10.007 -2.267 1.00 44.00 O ATOM 1648 CB PHE A 693 -2.650 -7.946 -0.164 1.00 54.10 C ATOM 1649 CG PHE A 693 -2.820 -6.585 0.479 1.00 61.00 C ATOM 1650 CD1 PHE A 693 -3.822 -5.732 0.069 1.00 12.42 C ATOM 1651 CD2 PHE A 693 -1.983 -6.169 1.493 1.00 34.22 C ATOM 1652 CE1 PHE A 693 -3.988 -4.512 0.647 1.00 53.11 C ATOM 1653 CE2 PHE A 693 -2.148 -4.940 2.084 1.00 32.14 C ATOM 1654 CZ PHE A 693 -3.154 -4.112 1.658 1.00 35.51 C ATOM 0 H PHE A 693 -3.951 -7.262 -2.177 1.00 1.24 H new ATOM 0 HA PHE A 693 -1.103 -7.442 -1.564 1.00 52.22 H new ATOM 0 HB2 PHE A 693 -3.618 -8.446 -0.187 1.00 54.10 H new ATOM 0 HB3 PHE A 693 -1.995 -8.550 0.463 1.00 54.10 H new ATOM 0 HD1 PHE A 693 -4.487 -6.038 -0.725 1.00 12.42 H new ATOM 0 HD2 PHE A 693 -1.187 -6.818 1.827 1.00 34.22 H new ATOM 0 HE1 PHE A 693 -4.778 -3.858 0.309 1.00 53.11 H new ATOM 0 HE2 PHE A 693 -1.489 -4.628 2.880 1.00 32.14 H new ATOM 0 HZ PHE A 693 -3.289 -3.145 2.119 1.00 35.51 H new ATOM 1664 N LEU A 694 -0.754 -9.743 -2.290 1.00 43.43 N ATOM 1665 CA LEU A 694 -0.488 -11.042 -2.819 1.00 24.44 C ATOM 1666 C LEU A 694 0.233 -11.875 -1.783 1.00 50.11 C ATOM 1667 O LEU A 694 0.863 -11.343 -0.849 1.00 64.25 O ATOM 1668 CB LEU A 694 0.375 -10.935 -4.080 1.00 74.01 C ATOM 1669 CG LEU A 694 -0.150 -10.012 -5.178 1.00 24.51 C ATOM 1670 CD1 LEU A 694 0.790 -9.995 -6.365 1.00 75.34 C ATOM 1671 CD2 LEU A 694 -1.560 -10.386 -5.613 1.00 53.20 C ATOM 0 H LEU A 694 0.082 -9.191 -2.097 1.00 43.43 H new ATOM 0 HA LEU A 694 -1.434 -11.517 -3.077 1.00 24.44 H new ATOM 0 HB2 LEU A 694 1.367 -10.591 -3.788 1.00 74.01 H new ATOM 0 HB3 LEU A 694 0.494 -11.934 -4.500 1.00 74.01 H new ATOM 0 HG LEU A 694 -0.196 -9.007 -4.758 1.00 24.51 H new ATOM 0 HD11 LEU A 694 0.394 -9.331 -7.133 1.00 75.34 H new ATOM 0 HD12 LEU A 694 1.770 -9.639 -6.048 1.00 75.34 H new ATOM 0 HD13 LEU A 694 0.883 -11.003 -6.770 1.00 75.34 H new ATOM 0 HD21 LEU A 694 -1.893 -9.703 -6.395 1.00 53.20 H new ATOM 0 HD22 LEU A 694 -1.564 -11.406 -5.996 1.00 53.20 H new ATOM 0 HD23 LEU A 694 -2.235 -10.316 -4.760 1.00 53.20 H new ATOM 1679 N CYS A 695 0.145 -13.146 -1.953 1.00 72.33 N ATOM 1680 CA CYS A 695 0.772 -14.102 -1.072 1.00 74.05 C ATOM 1681 C CYS A 695 2.205 -14.384 -1.488 1.00 22.42 C ATOM 1682 O CYS A 695 2.472 -14.729 -2.648 1.00 31.35 O ATOM 1683 CB CYS A 695 -0.036 -15.418 -1.035 1.00 11.10 C ATOM 1684 SG CYS A 695 0.832 -16.814 -0.216 1.00 40.11 S ATOM 0 H CYS A 695 -0.373 -13.573 -2.721 1.00 72.33 H new ATOM 0 HA CYS A 695 0.788 -13.666 -0.073 1.00 74.05 H new ATOM 0 HB2 CYS A 695 -0.978 -15.238 -0.518 1.00 11.10 H new ATOM 0 HB3 CYS A 695 -0.283 -15.708 -2.056 1.00 11.10 H new ATOM 1745 N GLY A 700 7.230 -10.582 5.194 1.00 12.14 N ATOM 1746 CA GLY A 700 7.079 -10.285 6.579 1.00 15.32 C ATOM 1747 C GLY A 700 5.833 -9.529 6.776 1.00 70.21 C ATOM 1748 O GLY A 700 4.740 -10.045 6.482 1.00 3.30 O ATOM 0 HA2 GLY A 700 7.056 -11.206 7.161 1.00 15.32 H new ATOM 0 HA3 GLY A 700 7.931 -9.705 6.934 1.00 15.32 H new ATOM 1752 N VAL A 701 5.970 -8.293 7.218 1.00 72.25 N ATOM 1753 CA VAL A 701 4.839 -7.403 7.342 1.00 33.45 C ATOM 1754 C VAL A 701 4.320 -7.114 5.941 1.00 63.01 C ATOM 1755 O VAL A 701 3.120 -6.924 5.707 1.00 2.11 O ATOM 1756 CB VAL A 701 5.226 -6.082 8.078 1.00 34.11 C ATOM 1757 CG1 VAL A 701 6.225 -5.234 7.293 1.00 41.24 C ATOM 1758 CG2 VAL A 701 4.000 -5.284 8.482 1.00 54.00 C ATOM 0 H VAL A 701 6.861 -7.884 7.498 1.00 72.25 H new ATOM 0 HA VAL A 701 4.063 -7.876 7.944 1.00 33.45 H new ATOM 0 HB VAL A 701 5.737 -6.381 8.993 1.00 34.11 H new ATOM 0 HG11 VAL A 701 6.455 -4.329 7.855 1.00 41.24 H new ATOM 0 HG12 VAL A 701 7.140 -5.804 7.133 1.00 41.24 H new ATOM 0 HG13 VAL A 701 5.794 -4.962 6.330 1.00 41.24 H new ATOM 0 HG21 VAL A 701 4.311 -4.372 8.991 1.00 54.00 H new ATOM 0 HG22 VAL A 701 3.425 -5.025 7.593 1.00 54.00 H new ATOM 0 HG23 VAL A 701 3.382 -5.881 9.152 1.00 54.00 H new ATOM 1764 N GLY A 702 5.238 -7.151 5.008 1.00 34.02 N ATOM 1765 CA GLY A 702 4.915 -6.974 3.665 1.00 65.30 C ATOM 1766 C GLY A 702 5.343 -5.652 3.129 1.00 23.24 C ATOM 1767 O GLY A 702 5.321 -4.652 3.822 1.00 20.22 O ATOM 0 H GLY A 702 6.230 -7.308 5.188 1.00 34.02 H new ATOM 0 HA2 GLY A 702 5.382 -7.765 3.078 1.00 65.30 H new ATOM 0 HA3 GLY A 702 3.837 -7.078 3.540 1.00 65.30 H new ATOM 1771 N PHE A 703 5.724 -5.669 1.904 1.00 72.42 N ATOM 1772 CA PHE A 703 6.182 -4.495 1.201 1.00 75.13 C ATOM 1773 C PHE A 703 5.332 -4.237 -0.054 1.00 32.40 C ATOM 1774 O PHE A 703 4.952 -5.186 -0.769 1.00 61.34 O ATOM 1775 CB PHE A 703 7.685 -4.632 0.834 1.00 42.22 C ATOM 1776 CG PHE A 703 8.031 -5.862 0.017 1.00 33.33 C ATOM 1777 CD1 PHE A 703 7.961 -5.839 -1.369 1.00 35.23 C ATOM 1778 CD2 PHE A 703 8.427 -7.037 0.639 1.00 75.41 C ATOM 1779 CE1 PHE A 703 8.277 -6.958 -2.113 1.00 73.40 C ATOM 1780 CE2 PHE A 703 8.745 -8.160 -0.103 1.00 15.54 C ATOM 1781 CZ PHE A 703 8.668 -8.119 -1.478 1.00 33.42 C ATOM 0 H PHE A 703 5.732 -6.515 1.335 1.00 72.42 H new ATOM 0 HA PHE A 703 6.068 -3.636 1.862 1.00 75.13 H new ATOM 0 HB2 PHE A 703 7.991 -3.746 0.278 1.00 42.22 H new ATOM 0 HB3 PHE A 703 8.269 -4.648 1.754 1.00 42.22 H new ATOM 0 HD1 PHE A 703 7.655 -4.934 -1.872 1.00 35.23 H new ATOM 0 HD2 PHE A 703 8.488 -7.075 1.717 1.00 75.41 H new ATOM 0 HE1 PHE A 703 8.218 -6.925 -3.191 1.00 73.40 H new ATOM 0 HE2 PHE A 703 9.053 -9.068 0.395 1.00 15.54 H new ATOM 0 HZ PHE A 703 8.914 -8.996 -2.059 1.00 33.42 H new ATOM 1791 N PRO A 704 4.975 -2.969 -0.305 1.00 43.15 N ATOM 1792 CA PRO A 704 4.242 -2.576 -1.496 1.00 64.34 C ATOM 1793 C PRO A 704 5.158 -2.221 -2.677 1.00 32.13 C ATOM 1794 O PRO A 704 6.299 -1.784 -2.501 1.00 12.41 O ATOM 1795 CB PRO A 704 3.506 -1.331 -1.036 1.00 43.42 C ATOM 1796 CG PRO A 704 4.426 -0.699 -0.048 1.00 54.04 C ATOM 1797 CD PRO A 704 5.214 -1.823 0.589 1.00 54.21 C ATOM 0 HA PRO A 704 3.606 -3.382 -1.862 1.00 64.34 H new ATOM 0 HB2 PRO A 704 3.299 -0.661 -1.870 1.00 43.42 H new ATOM 0 HB3 PRO A 704 2.547 -1.581 -0.582 1.00 43.42 H new ATOM 0 HG2 PRO A 704 5.092 0.012 -0.538 1.00 54.04 H new ATOM 0 HG3 PRO A 704 3.865 -0.144 0.704 1.00 54.04 H new ATOM 0 HD2 PRO A 704 6.275 -1.581 0.655 1.00 54.21 H new ATOM 0 HD3 PRO A 704 4.871 -2.028 1.603 1.00 54.21 H new ATOM 1805 N GLU A 705 4.649 -2.427 -3.855 1.00 40.14 N ATOM 1806 CA GLU A 705 5.307 -2.092 -5.081 1.00 54.12 C ATOM 1807 C GLU A 705 4.286 -1.416 -5.989 1.00 74.01 C ATOM 1808 O GLU A 705 3.136 -1.837 -6.044 1.00 21.41 O ATOM 1809 CB GLU A 705 5.845 -3.374 -5.738 1.00 21.53 C ATOM 1810 CG GLU A 705 6.541 -3.153 -7.065 1.00 34.12 C ATOM 1811 CD GLU A 705 7.705 -2.208 -6.950 1.00 12.23 C ATOM 1812 OE1 GLU A 705 7.485 -0.985 -6.952 1.00 42.12 O ATOM 1813 OE2 GLU A 705 8.857 -2.676 -6.860 1.00 5.14 O ATOM 0 H GLU A 705 3.730 -2.848 -3.993 1.00 40.14 H new ATOM 0 HA GLU A 705 6.146 -1.420 -4.902 1.00 54.12 H new ATOM 0 HB2 GLU A 705 6.542 -3.854 -5.052 1.00 21.53 H new ATOM 0 HB3 GLU A 705 5.017 -4.066 -5.887 1.00 21.53 H new ATOM 0 HG2 GLU A 705 6.890 -4.110 -7.453 1.00 34.12 H new ATOM 0 HG3 GLU A 705 5.826 -2.758 -7.786 1.00 34.12 H new ATOM 1820 N TYR A 706 4.683 -0.391 -6.689 1.00 51.00 N ATOM 1821 CA TYR A 706 3.754 0.314 -7.549 1.00 33.25 C ATOM 1822 C TYR A 706 3.678 -0.335 -8.908 1.00 0.44 C ATOM 1823 O TYR A 706 4.709 -0.667 -9.511 1.00 40.14 O ATOM 1824 CB TYR A 706 4.096 1.811 -7.658 1.00 30.40 C ATOM 1825 CG TYR A 706 3.197 2.590 -8.607 1.00 62.25 C ATOM 1826 CD1 TYR A 706 1.817 2.633 -8.425 1.00 4.35 C ATOM 1827 CD2 TYR A 706 3.728 3.280 -9.685 1.00 12.22 C ATOM 1828 CE1 TYR A 706 1.009 3.332 -9.279 1.00 55.00 C ATOM 1829 CE2 TYR A 706 2.923 3.987 -10.542 1.00 35.20 C ATOM 1830 CZ TYR A 706 1.567 4.011 -10.338 1.00 22.30 C ATOM 1831 OH TYR A 706 0.765 4.732 -11.191 1.00 54.42 O ATOM 0 H TYR A 706 5.634 -0.022 -6.687 1.00 51.00 H new ATOM 0 HA TYR A 706 2.768 0.247 -7.090 1.00 33.25 H new ATOM 0 HB2 TYR A 706 4.033 2.259 -6.666 1.00 30.40 H new ATOM 0 HB3 TYR A 706 5.129 1.913 -7.989 1.00 30.40 H new ATOM 0 HD1 TYR A 706 1.376 2.104 -7.593 1.00 4.35 H new ATOM 0 HD2 TYR A 706 4.795 3.261 -9.854 1.00 12.22 H new ATOM 0 HE1 TYR A 706 -0.060 3.351 -9.123 1.00 55.00 H new ATOM 0 HE2 TYR A 706 3.356 4.523 -11.374 1.00 35.20 H new ATOM 0 HH TYR A 706 0.174 5.314 -10.670 1.00 54.42 H new ATOM 1841 N GLN A 707 2.468 -0.553 -9.374 1.00 2.22 N ATOM 1842 CA GLN A 707 2.258 -1.127 -10.674 1.00 13.31 C ATOM 1843 C GLN A 707 2.067 -0.015 -11.687 1.00 70.35 C ATOM 1844 O GLN A 707 3.039 0.597 -12.120 1.00 64.13 O ATOM 1845 CB GLN A 707 1.057 -2.075 -10.655 1.00 52.01 C ATOM 1846 CG GLN A 707 1.196 -3.200 -9.656 1.00 73.11 C ATOM 1847 CD GLN A 707 2.330 -4.128 -9.993 1.00 4.35 C ATOM 1848 OE1 GLN A 707 2.141 -5.100 -10.692 1.00 43.04 O ATOM 1849 NE2 GLN A 707 3.512 -3.841 -9.493 1.00 72.45 N ATOM 0 H GLN A 707 1.612 -0.338 -8.863 1.00 2.22 H new ATOM 0 HA GLN A 707 3.132 -1.713 -10.959 1.00 13.31 H new ATOM 0 HB2 GLN A 707 0.157 -1.505 -10.426 1.00 52.01 H new ATOM 0 HB3 GLN A 707 0.921 -2.498 -11.651 1.00 52.01 H new ATOM 0 HG2 GLN A 707 1.355 -2.782 -8.662 1.00 73.11 H new ATOM 0 HG3 GLN A 707 0.265 -3.766 -9.619 1.00 73.11 H new ATOM 0 HE21 GLN A 707 3.631 -3.013 -8.909 1.00 72.45 H new ATOM 0 HE22 GLN A 707 4.309 -4.446 -9.689 1.00 72.45 H new ATOM 1857 N GLU A 708 0.820 0.285 -12.007 1.00 55.13 N ATOM 1858 CA GLU A 708 0.469 1.372 -12.895 1.00 74.22 C ATOM 1859 C GLU A 708 -0.924 1.834 -12.603 1.00 1.43 C ATOM 1860 O GLU A 708 -1.824 1.021 -12.388 1.00 24.51 O ATOM 1861 CB GLU A 708 0.500 0.988 -14.388 1.00 64.24 C ATOM 1862 CG GLU A 708 1.844 0.635 -14.979 1.00 32.25 C ATOM 1863 CD GLU A 708 1.743 0.471 -16.469 1.00 30.31 C ATOM 1864 OE1 GLU A 708 1.825 1.496 -17.186 1.00 4.33 O ATOM 1865 OE2 GLU A 708 1.539 -0.664 -16.951 1.00 1.02 O ATOM 0 H GLU A 708 0.014 -0.229 -11.651 1.00 55.13 H new ATOM 0 HA GLU A 708 1.216 2.145 -12.717 1.00 74.22 H new ATOM 0 HB2 GLU A 708 -0.167 0.138 -14.533 1.00 64.24 H new ATOM 0 HB3 GLU A 708 0.087 1.819 -14.960 1.00 64.24 H new ATOM 0 HG2 GLU A 708 2.567 1.416 -14.742 1.00 32.25 H new ATOM 0 HG3 GLU A 708 2.213 -0.288 -14.531 1.00 32.25 H new ATOM 1872 N GLU A 709 -1.096 3.111 -12.530 1.00 0.14 N ATOM 1873 CA GLU A 709 -2.414 3.677 -12.513 1.00 0.01 C ATOM 1874 C GLU A 709 -2.861 3.805 -13.963 1.00 70.42 C ATOM 1875 O GLU A 709 -2.124 4.348 -14.806 1.00 1.11 O ATOM 1876 CB GLU A 709 -2.402 5.036 -11.776 1.00 21.22 C ATOM 1877 CG GLU A 709 -3.756 5.757 -11.607 1.00 24.04 C ATOM 1878 CD GLU A 709 -4.297 6.392 -12.869 1.00 14.13 C ATOM 1879 OE1 GLU A 709 -3.877 7.530 -13.192 1.00 52.31 O ATOM 1880 OE2 GLU A 709 -5.153 5.799 -13.528 1.00 24.21 O ATOM 0 H GLU A 709 -0.338 3.792 -12.481 1.00 0.14 H new ATOM 0 HA GLU A 709 -3.118 3.045 -11.971 1.00 0.01 H new ATOM 0 HB2 GLU A 709 -1.976 4.879 -10.785 1.00 21.22 H new ATOM 0 HB3 GLU A 709 -1.727 5.705 -12.311 1.00 21.22 H new ATOM 0 HG2 GLU A 709 -4.489 5.042 -11.234 1.00 24.04 H new ATOM 0 HG3 GLU A 709 -3.648 6.529 -10.846 1.00 24.04 H new ATOM 1887 N ASP A 710 -4.014 3.273 -14.252 1.00 3.41 N ATOM 1888 CA ASP A 710 -4.583 3.334 -15.587 1.00 20.50 C ATOM 1889 C ASP A 710 -6.099 3.454 -15.490 1.00 50.21 C ATOM 1890 O ASP A 710 -6.736 4.131 -16.296 1.00 71.53 O ATOM 1891 CB ASP A 710 -4.205 2.074 -16.389 1.00 61.52 C ATOM 1892 CG ASP A 710 -4.690 2.104 -17.826 1.00 50.11 C ATOM 1893 OD1 ASP A 710 -5.851 1.714 -18.093 1.00 3.41 O ATOM 1894 OD2 ASP A 710 -3.910 2.503 -18.720 1.00 45.40 O ATOM 0 H ASP A 710 -4.595 2.781 -13.573 1.00 3.41 H new ATOM 0 HA ASP A 710 -4.183 4.207 -16.103 1.00 20.50 H new ATOM 0 HB2 ASP A 710 -3.121 1.960 -16.382 1.00 61.52 H new ATOM 0 HB3 ASP A 710 -4.621 1.198 -15.892 1.00 61.52 H new ATOM 1899 N ASN A 711 -6.666 2.816 -14.465 1.00 41.10 N ATOM 1900 CA ASN A 711 -8.124 2.788 -14.258 1.00 22.11 C ATOM 1901 C ASN A 711 -8.597 3.917 -13.330 1.00 72.03 C ATOM 1902 O ASN A 711 -9.673 3.828 -12.766 1.00 63.03 O ATOM 1903 CB ASN A 711 -8.562 1.421 -13.667 1.00 61.21 C ATOM 1904 CG ASN A 711 -8.043 1.144 -12.250 1.00 20.41 C ATOM 1905 OD1 ASN A 711 -8.683 1.493 -11.265 1.00 13.22 O ATOM 1906 ND2 ASN A 711 -6.912 0.493 -12.144 1.00 45.11 N ATOM 0 H ASN A 711 -6.137 2.306 -13.757 1.00 41.10 H new ATOM 0 HA ASN A 711 -8.586 2.934 -15.234 1.00 22.11 H new ATOM 0 HB2 ASN A 711 -9.651 1.376 -13.656 1.00 61.21 H new ATOM 0 HB3 ASN A 711 -8.217 0.626 -14.328 1.00 61.21 H new ATOM 0 HD21 ASN A 711 -6.541 0.263 -11.222 1.00 45.11 H new ATOM 0 HD22 ASN A 711 -6.402 0.216 -12.983 1.00 45.11 H new ATOM 1912 N SER A 712 -7.782 4.973 -13.200 1.00 55.01 N ATOM 1913 CA SER A 712 -8.015 6.176 -12.339 1.00 34.43 C ATOM 1914 C SER A 712 -7.806 5.874 -10.864 1.00 12.22 C ATOM 1915 O SER A 712 -7.903 6.748 -9.991 1.00 71.31 O ATOM 1916 CB SER A 712 -9.342 6.961 -12.631 1.00 61.51 C ATOM 1917 OG SER A 712 -10.516 6.192 -12.427 1.00 30.33 O ATOM 0 H SER A 712 -6.899 5.030 -13.708 1.00 55.01 H new ATOM 0 HA SER A 712 -7.238 6.881 -12.633 1.00 34.43 H new ATOM 0 HB2 SER A 712 -9.380 7.843 -11.991 1.00 61.51 H new ATOM 0 HB3 SER A 712 -9.325 7.315 -13.662 1.00 61.51 H new ATOM 0 HG SER A 712 -10.269 5.283 -12.157 1.00 30.33 H new ATOM 1923 N THR A 713 -7.485 4.650 -10.604 1.00 31.24 N ATOM 1924 CA THR A 713 -7.205 4.191 -9.310 1.00 74.03 C ATOM 1925 C THR A 713 -5.833 3.496 -9.346 1.00 5.12 C ATOM 1926 O THR A 713 -5.577 2.644 -10.203 1.00 70.52 O ATOM 1927 CB THR A 713 -8.319 3.230 -8.839 1.00 65.24 C ATOM 1928 OG1 THR A 713 -9.602 3.900 -8.949 1.00 71.21 O ATOM 1929 CG2 THR A 713 -8.112 2.811 -7.399 1.00 13.41 C ATOM 0 H THR A 713 -7.412 3.928 -11.320 1.00 31.24 H new ATOM 0 HA THR A 713 -7.173 5.017 -8.599 1.00 74.03 H new ATOM 0 HB THR A 713 -8.290 2.340 -9.468 1.00 65.24 H new ATOM 0 HG1 THR A 713 -10.314 3.295 -8.653 1.00 71.21 H new ATOM 0 HG21 THR A 713 -8.912 2.135 -7.098 1.00 13.41 H new ATOM 0 HG22 THR A 713 -7.153 2.303 -7.302 1.00 13.41 H new ATOM 0 HG23 THR A 713 -8.122 3.693 -6.758 1.00 13.41 H new ATOM 1935 N TYR A 714 -4.960 3.912 -8.464 1.00 63.44 N ATOM 1936 CA TYR A 714 -3.610 3.405 -8.384 1.00 23.33 C ATOM 1937 C TYR A 714 -3.588 2.024 -7.808 1.00 4.43 C ATOM 1938 O TYR A 714 -4.006 1.826 -6.696 1.00 2.24 O ATOM 1939 CB TYR A 714 -2.741 4.325 -7.506 1.00 13.32 C ATOM 1940 CG TYR A 714 -2.460 5.684 -8.092 1.00 20.14 C ATOM 1941 CD1 TYR A 714 -3.420 6.686 -8.110 1.00 44.31 C ATOM 1942 CD2 TYR A 714 -1.223 5.961 -8.642 1.00 23.33 C ATOM 1943 CE1 TYR A 714 -3.144 7.919 -8.659 1.00 55.21 C ATOM 1944 CE2 TYR A 714 -0.942 7.182 -9.188 1.00 33.24 C ATOM 1945 CZ TYR A 714 -1.899 8.157 -9.196 1.00 52.31 C ATOM 1946 OH TYR A 714 -1.605 9.383 -9.741 1.00 12.30 O ATOM 0 H TYR A 714 -5.170 4.626 -7.767 1.00 63.44 H new ATOM 0 HA TYR A 714 -3.209 3.376 -9.397 1.00 23.33 H new ATOM 0 HB2 TYR A 714 -3.235 4.456 -6.543 1.00 13.32 H new ATOM 0 HB3 TYR A 714 -1.791 3.826 -7.312 1.00 13.32 H new ATOM 0 HD1 TYR A 714 -4.396 6.497 -7.688 1.00 44.31 H new ATOM 0 HD2 TYR A 714 -0.461 5.195 -8.640 1.00 23.33 H new ATOM 0 HE1 TYR A 714 -3.898 8.692 -8.668 1.00 55.21 H new ATOM 0 HE2 TYR A 714 0.033 7.375 -9.611 1.00 33.24 H new ATOM 0 HH TYR A 714 -2.124 10.077 -9.284 1.00 12.30 H new ATOM 1956 N ASN A 715 -3.094 1.087 -8.557 1.00 2.54 N ATOM 1957 CA ASN A 715 -2.957 -0.265 -8.070 1.00 64.04 C ATOM 1958 C ASN A 715 -1.544 -0.544 -7.657 1.00 45.33 C ATOM 1959 O ASN A 715 -0.580 -0.298 -8.409 1.00 4.24 O ATOM 1960 CB ASN A 715 -3.409 -1.303 -9.102 1.00 23.22 C ATOM 1961 CG ASN A 715 -4.916 -1.570 -9.137 1.00 1.43 C ATOM 1962 OD1 ASN A 715 -5.678 -0.895 -9.844 1.00 74.24 O ATOM 1963 ND2 ASN A 715 -5.360 -2.595 -8.407 1.00 32.32 N ATOM 0 H ASN A 715 -2.775 1.228 -9.515 1.00 2.54 H new ATOM 0 HA ASN A 715 -3.610 -0.351 -7.202 1.00 64.04 H new ATOM 0 HB2 ASN A 715 -3.091 -0.972 -10.091 1.00 23.22 H new ATOM 0 HB3 ASN A 715 -2.894 -2.242 -8.900 1.00 23.22 H new ATOM 0 HD21 ASN A 715 -6.350 -2.841 -8.422 1.00 32.32 H new ATOM 0 HD22 ASN A 715 -4.709 -3.133 -7.834 1.00 32.32 H new ATOM 1969 N PHE A 716 -1.418 -1.028 -6.462 1.00 40.33 N ATOM 1970 CA PHE A 716 -0.154 -1.416 -5.908 1.00 75.24 C ATOM 1971 C PHE A 716 -0.136 -2.894 -5.683 1.00 24.11 C ATOM 1972 O PHE A 716 -1.175 -3.513 -5.467 1.00 11.25 O ATOM 1973 CB PHE A 716 0.143 -0.688 -4.587 1.00 53.43 C ATOM 1974 CG PHE A 716 0.433 0.778 -4.724 1.00 14.21 C ATOM 1975 CD1 PHE A 716 -0.583 1.699 -4.908 1.00 3.41 C ATOM 1976 CD2 PHE A 716 1.736 1.233 -4.672 1.00 23.24 C ATOM 1977 CE1 PHE A 716 -0.299 3.044 -5.036 1.00 54.12 C ATOM 1978 CE2 PHE A 716 2.024 2.570 -4.797 1.00 70.54 C ATOM 1979 CZ PHE A 716 1.006 3.477 -4.981 1.00 21.14 C ATOM 0 H PHE A 716 -2.205 -1.168 -5.829 1.00 40.33 H new ATOM 0 HA PHE A 716 0.621 -1.136 -6.622 1.00 75.24 H new ATOM 0 HB2 PHE A 716 -0.710 -0.814 -3.920 1.00 53.43 H new ATOM 0 HB3 PHE A 716 0.996 -1.169 -4.108 1.00 53.43 H new ATOM 0 HD1 PHE A 716 -1.608 1.362 -4.952 1.00 3.41 H new ATOM 0 HD2 PHE A 716 2.541 0.527 -4.531 1.00 23.24 H new ATOM 0 HE1 PHE A 716 -1.099 3.755 -5.179 1.00 54.12 H new ATOM 0 HE2 PHE A 716 3.048 2.909 -4.751 1.00 70.54 H new ATOM 0 HZ PHE A 716 1.231 4.528 -5.082 1.00 21.14 H new ATOM 1989 N ARG A 717 1.020 -3.444 -5.754 1.00 1.43 N ATOM 1990 CA ARG A 717 1.242 -4.830 -5.525 1.00 65.50 C ATOM 1991 C ARG A 717 1.876 -4.954 -4.162 1.00 35.51 C ATOM 1992 O ARG A 717 2.939 -4.423 -3.941 1.00 54.13 O ATOM 1993 CB ARG A 717 2.207 -5.345 -6.591 1.00 64.23 C ATOM 1994 CG ARG A 717 2.594 -6.787 -6.435 1.00 45.31 C ATOM 1995 CD ARG A 717 3.603 -7.220 -7.491 1.00 73.25 C ATOM 1996 NE ARG A 717 3.102 -7.120 -8.854 1.00 62.15 N ATOM 1997 CZ ARG A 717 3.476 -7.925 -9.865 1.00 32.11 C ATOM 1998 NH1 ARG A 717 4.323 -8.936 -9.653 1.00 33.22 N ATOM 1999 NH2 ARG A 717 3.009 -7.705 -11.078 1.00 13.11 N ATOM 0 H ARG A 717 1.869 -2.927 -5.981 1.00 1.43 H new ATOM 0 HA ARG A 717 0.316 -5.404 -5.571 1.00 65.50 H new ATOM 0 HB2 ARG A 717 1.752 -5.208 -7.572 1.00 64.23 H new ATOM 0 HB3 ARG A 717 3.110 -4.735 -6.571 1.00 64.23 H new ATOM 0 HG2 ARG A 717 3.016 -6.945 -5.443 1.00 45.31 H new ATOM 0 HG3 ARG A 717 1.704 -7.412 -6.505 1.00 45.31 H new ATOM 0 HD2 ARG A 717 4.500 -6.607 -7.397 1.00 73.25 H new ATOM 0 HD3 ARG A 717 3.899 -8.251 -7.297 1.00 73.25 H new ATOM 0 HE ARG A 717 2.420 -6.389 -9.057 1.00 62.15 H new ATOM 0 HH11 ARG A 717 4.693 -9.104 -8.717 1.00 33.22 H new ATOM 0 HH12 ARG A 717 4.600 -9.540 -10.427 1.00 33.22 H new ATOM 0 HH21 ARG A 717 2.369 -6.929 -11.245 1.00 13.11 H new ATOM 0 HH22 ARG A 717 3.288 -8.311 -11.850 1.00 13.11 H new ATOM 2011 N TRP A 718 1.238 -5.613 -3.259 1.00 31.10 N ATOM 2012 CA TRP A 718 1.766 -5.719 -1.927 1.00 73.33 C ATOM 2013 C TRP A 718 2.023 -7.176 -1.609 1.00 31.32 C ATOM 2014 O TRP A 718 1.111 -7.977 -1.609 1.00 74.54 O ATOM 2015 CB TRP A 718 0.757 -5.130 -0.921 1.00 33.04 C ATOM 2016 CG TRP A 718 1.302 -4.894 0.461 1.00 64.53 C ATOM 2017 CD1 TRP A 718 1.871 -5.803 1.300 1.00 3.31 C ATOM 2018 CD2 TRP A 718 1.284 -3.657 1.180 1.00 64.22 C ATOM 2019 NE1 TRP A 718 2.236 -5.202 2.471 1.00 41.30 N ATOM 2020 CE2 TRP A 718 1.887 -3.891 2.424 1.00 3.41 C ATOM 2021 CE3 TRP A 718 0.830 -2.372 0.888 1.00 33.12 C ATOM 2022 CZ2 TRP A 718 2.046 -2.897 3.368 1.00 43.11 C ATOM 2023 CZ3 TRP A 718 0.986 -1.385 1.834 1.00 62.05 C ATOM 2024 CH2 TRP A 718 1.589 -1.654 3.056 1.00 2.54 C ATOM 0 H TRP A 718 0.349 -6.090 -3.410 1.00 31.10 H new ATOM 0 HA TRP A 718 2.701 -5.163 -1.856 1.00 73.33 H new ATOM 0 HB2 TRP A 718 0.384 -4.184 -1.315 1.00 33.04 H new ATOM 0 HB3 TRP A 718 -0.097 -5.804 -0.849 1.00 33.04 H new ATOM 0 HD1 TRP A 718 2.013 -6.849 1.072 1.00 3.31 H new ATOM 0 HE1 TRP A 718 2.697 -5.664 3.255 1.00 41.30 H new ATOM 0 HE3 TRP A 718 0.365 -2.155 -0.062 1.00 33.12 H new ATOM 0 HZ2 TRP A 718 2.516 -3.098 4.319 1.00 43.11 H new ATOM 0 HZ3 TRP A 718 0.634 -0.386 1.623 1.00 62.05 H new ATOM 0 HH2 TRP A 718 1.698 -0.857 3.776 1.00 2.54 H new ATOM 2035 N TYR A 719 3.251 -7.518 -1.361 1.00 23.13 N ATOM 2036 CA TYR A 719 3.576 -8.871 -0.969 1.00 12.13 C ATOM 2037 C TYR A 719 3.611 -8.947 0.513 1.00 21.44 C ATOM 2038 O TYR A 719 4.465 -8.339 1.138 1.00 11.11 O ATOM 2039 CB TYR A 719 4.912 -9.334 -1.537 1.00 71.24 C ATOM 2040 CG TYR A 719 4.927 -9.503 -3.024 1.00 31.11 C ATOM 2041 CD1 TYR A 719 4.418 -10.654 -3.602 1.00 54.34 C ATOM 2042 CD2 TYR A 719 5.453 -8.531 -3.850 1.00 45.32 C ATOM 2043 CE1 TYR A 719 4.432 -10.834 -4.962 1.00 22.21 C ATOM 2044 CE2 TYR A 719 5.475 -8.703 -5.210 1.00 41.23 C ATOM 2045 CZ TYR A 719 4.958 -9.859 -5.763 1.00 50.52 C ATOM 2046 OH TYR A 719 4.984 -10.038 -7.129 1.00 11.42 O ATOM 0 H TYR A 719 4.049 -6.886 -1.421 1.00 23.13 H new ATOM 0 HA TYR A 719 2.808 -9.531 -1.372 1.00 12.13 H new ATOM 0 HB2 TYR A 719 5.681 -8.614 -1.258 1.00 71.24 H new ATOM 0 HB3 TYR A 719 5.181 -10.283 -1.073 1.00 71.24 H new ATOM 0 HD1 TYR A 719 4.002 -11.425 -2.970 1.00 54.34 H new ATOM 0 HD2 TYR A 719 5.852 -7.624 -3.420 1.00 45.32 H new ATOM 0 HE1 TYR A 719 4.031 -11.738 -5.396 1.00 22.21 H new ATOM 0 HE2 TYR A 719 5.895 -7.938 -5.847 1.00 41.23 H new ATOM 0 HH TYR A 719 4.228 -10.600 -7.400 1.00 11.42 H new ATOM 2056 N THR A 720 2.672 -9.645 1.081 1.00 4.34 N ATOM 2057 CA THR A 720 2.603 -9.787 2.501 1.00 43.24 C ATOM 2058 C THR A 720 2.190 -11.196 2.877 1.00 1.32 C ATOM 2059 O THR A 720 1.357 -11.819 2.205 1.00 71.23 O ATOM 2060 CB THR A 720 1.657 -8.746 3.167 1.00 63.13 C ATOM 2061 OG1 THR A 720 1.641 -8.930 4.593 1.00 11.32 O ATOM 2062 CG2 THR A 720 0.251 -8.866 2.627 1.00 44.34 C ATOM 0 H THR A 720 1.934 -10.131 0.571 1.00 4.34 H new ATOM 0 HA THR A 720 3.605 -9.593 2.884 1.00 43.24 H new ATOM 0 HB THR A 720 2.036 -7.751 2.933 1.00 63.13 H new ATOM 0 HG1 THR A 720 2.267 -8.303 5.011 1.00 11.32 H new ATOM 0 HG21 THR A 720 -0.388 -8.127 3.110 1.00 44.34 H new ATOM 0 HG22 THR A 720 0.258 -8.692 1.551 1.00 44.34 H new ATOM 0 HG23 THR A 720 -0.133 -9.866 2.830 1.00 44.34 H new ATOM 2068 N SER A 721 2.788 -11.704 3.921 1.00 52.14 N ATOM 2069 CA SER A 721 2.470 -13.010 4.426 1.00 43.41 C ATOM 2070 C SER A 721 1.062 -12.990 5.066 1.00 11.13 C ATOM 2071 O SER A 721 0.367 -14.007 5.114 1.00 14.23 O ATOM 2072 CB SER A 721 3.543 -13.435 5.444 1.00 31.31 C ATOM 2073 OG SER A 721 3.303 -14.732 5.959 1.00 50.25 O ATOM 0 H SER A 721 3.514 -11.219 4.448 1.00 52.14 H new ATOM 0 HA SER A 721 2.461 -13.736 3.613 1.00 43.41 H new ATOM 0 HB2 SER A 721 4.524 -13.410 4.969 1.00 31.31 H new ATOM 0 HB3 SER A 721 3.568 -12.718 6.265 1.00 31.31 H new ATOM 0 HG SER A 721 4.007 -14.965 6.600 1.00 50.25 H new ATOM 2079 N TYR A 722 0.635 -11.805 5.503 1.00 23.22 N ATOM 2080 CA TYR A 722 -0.643 -11.631 6.171 1.00 51.14 C ATOM 2081 C TYR A 722 -1.833 -11.794 5.221 1.00 41.31 C ATOM 2082 O TYR A 722 -2.942 -12.068 5.653 1.00 14.24 O ATOM 2083 CB TYR A 722 -0.698 -10.276 6.875 1.00 42.23 C ATOM 2084 CG TYR A 722 0.262 -10.138 8.051 1.00 72.32 C ATOM 2085 CD1 TYR A 722 1.616 -9.876 7.864 1.00 24.54 C ATOM 2086 CD2 TYR A 722 -0.200 -10.260 9.353 1.00 53.33 C ATOM 2087 CE1 TYR A 722 2.472 -9.740 8.943 1.00 11.33 C ATOM 2088 CE2 TYR A 722 0.652 -10.126 10.432 1.00 35.32 C ATOM 2089 CZ TYR A 722 1.984 -9.866 10.222 1.00 74.11 C ATOM 2090 OH TYR A 722 2.835 -9.724 11.300 1.00 14.24 O ATOM 0 H TYR A 722 1.170 -10.942 5.401 1.00 23.22 H new ATOM 0 HA TYR A 722 -0.723 -12.424 6.915 1.00 51.14 H new ATOM 0 HB2 TYR A 722 -0.478 -9.494 6.149 1.00 42.23 H new ATOM 0 HB3 TYR A 722 -1.715 -10.105 7.230 1.00 42.23 H new ATOM 0 HD1 TYR A 722 2.005 -9.777 6.861 1.00 24.54 H new ATOM 0 HD2 TYR A 722 -1.246 -10.464 9.527 1.00 53.33 H new ATOM 0 HE1 TYR A 722 3.520 -9.536 8.781 1.00 11.33 H new ATOM 0 HE2 TYR A 722 0.272 -10.225 11.438 1.00 35.32 H new ATOM 0 HH TYR A 722 2.331 -9.841 12.132 1.00 14.24 H new ATOM 2100 N ALA A 723 -1.596 -11.655 3.933 1.00 3.30 N ATOM 2101 CA ALA A 723 -2.672 -11.794 2.950 1.00 2.33 C ATOM 2102 C ALA A 723 -2.771 -13.220 2.478 1.00 74.45 C ATOM 2103 O ALA A 723 -3.532 -13.536 1.564 1.00 44.31 O ATOM 2104 CB ALA A 723 -2.431 -10.887 1.761 1.00 41.12 C ATOM 0 H ALA A 723 -0.679 -11.448 3.536 1.00 3.30 H new ATOM 0 HA ALA A 723 -3.607 -11.508 3.432 1.00 2.33 H new ATOM 0 HB1 ALA A 723 -3.242 -11.006 1.043 1.00 41.12 H new ATOM 0 HB2 ALA A 723 -2.392 -9.851 2.096 1.00 41.12 H new ATOM 0 HB3 ALA A 723 -1.485 -11.151 1.288 1.00 41.12 H new ATOM 2110 N CYS A 724 -2.026 -14.076 3.100 1.00 45.32 N ATOM 2111 CA CYS A 724 -1.958 -15.424 2.684 1.00 11.53 C ATOM 2112 C CYS A 724 -2.281 -16.341 3.862 1.00 15.20 C ATOM 2113 O CYS A 724 -1.699 -16.195 4.938 1.00 4.02 O ATOM 2114 CB CYS A 724 -0.552 -15.688 2.185 1.00 70.22 C ATOM 2115 SG CYS A 724 -0.337 -17.281 1.359 1.00 61.51 S ATOM 0 H CYS A 724 -1.450 -13.852 3.911 1.00 45.32 H new ATOM 0 HA CYS A 724 -2.679 -15.618 1.890 1.00 11.53 H new ATOM 0 HB2 CYS A 724 -0.270 -14.894 1.494 1.00 70.22 H new ATOM 0 HB3 CYS A 724 0.136 -15.635 3.029 1.00 70.22 H new ATOM 2120 N PRO A 725 -3.234 -17.264 3.700 1.00 20.24 N ATOM 2121 CA PRO A 725 -3.575 -18.212 4.737 1.00 62.45 C ATOM 2122 C PRO A 725 -2.698 -19.476 4.649 1.00 60.10 C ATOM 2123 O PRO A 725 -1.619 -19.509 5.275 1.00 37.60 O ATOM 2124 CB PRO A 725 -5.048 -18.528 4.447 1.00 51.30 C ATOM 2125 CG PRO A 725 -5.227 -18.301 2.970 1.00 22.13 C ATOM 2126 CD PRO A 725 -4.075 -17.438 2.498 1.00 60.21 C ATOM 2127 OXT PRO A 725 -3.071 -20.423 3.925 1.00 37.60 O ATOM 0 HA PRO A 725 -3.413 -17.825 5.743 1.00 62.45 H new ATOM 0 HB2 PRO A 725 -5.289 -19.556 4.718 1.00 51.30 H new ATOM 0 HB3 PRO A 725 -5.709 -17.883 5.026 1.00 51.30 H new ATOM 0 HG2 PRO A 725 -5.239 -19.251 2.435 1.00 22.13 H new ATOM 0 HG3 PRO A 725 -6.180 -17.811 2.770 1.00 22.13 H new ATOM 0 HD2 PRO A 725 -3.522 -17.919 1.691 1.00 60.21 H new ATOM 0 HD3 PRO A 725 -4.426 -16.479 2.116 1.00 60.21 H new