USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 751 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 753 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.567) USER MOD Set 2.1: A 747 TYR OH : rot 30:sc= -0.398 USER MOD Set 2.2: A 755 SER OG : rot 120:sc= -0.295 USER MOD Set 3.1: A 710 SER OG : rot 38:sc= 0.654 USER MOD Set 3.2: A 719 HIS : no HD1:sc= -0.877 X(o=-0.22,f=0.18) USER MOD Set 4.1: A 678 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 4.2: A 682 GLN : amide:sc= -1.88! C(o=-1.9!,f=-4!) USER MOD Set 5.1: A 668 TYR OH : rot 0:sc= 0.217 USER MOD Set 5.2: A 739 SER OG : rot -133:sc= 0.504 USER MOD Single : A 669 THR OG1 : rot 180:sc= 0 USER MOD Single : A 671 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 681 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 THR OG1 : rot 140:sc= -0.68 USER MOD Single : A 685 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.17) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 690 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.48) USER MOD Single : A 692 SER OG : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot 90:sc= -0.433! USER MOD Single : A 695 TYR OH : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ 153:sc= -0.326 (180deg=-0.759) USER MOD Single : A 714 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.5) USER MOD Single : A 718 LYS NZ :NH3+ 173:sc= -1.41 (180deg=-1.74) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.4) USER MOD Single : A 730 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-1.1) USER MOD Single : A 732 THR OG1 : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 746 TYR OH : rot 180:sc= 0 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 749 CYS SG : rot 180:sc= 0 USER MOD Single : A 750 HIS : no HD1:sc= -0.0671 K(o=-0.067,f=-0.58) USER MOD Single : A 757 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.85) USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 761 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 764 LYS NZ :NH3+ 156:sc= 0.531 (180deg=0.268) USER MOD Single : A 765 TYR OH : rot 180:sc= 0 USER MOD Single : A 767 TYR OH : rot 7:sc= 0.891 USER MOD Single : A 768 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 668 -7.644 1.472 11.011 1.00 0.00 N ATOM 146 CA TYR A 668 -7.539 1.155 9.588 1.00 0.00 C ATOM 147 C TYR A 668 -7.630 -0.355 9.353 1.00 0.00 C ATOM 148 O TYR A 668 -8.092 -0.799 8.302 1.00 0.00 O ATOM 149 CB TYR A 668 -6.228 1.697 9.015 1.00 0.00 C ATOM 150 CG TYR A 668 -6.257 3.184 8.733 1.00 0.00 C ATOM 151 CD1 TYR A 668 -6.492 4.102 9.750 1.00 0.00 C ATOM 152 CD2 TYR A 668 -6.049 3.667 7.448 1.00 0.00 C ATOM 153 CE1 TYR A 668 -6.522 5.459 9.493 1.00 0.00 C ATOM 154 CE2 TYR A 668 -6.076 5.023 7.184 1.00 0.00 C ATOM 155 CZ TYR A 668 -6.312 5.915 8.210 1.00 0.00 C ATOM 156 OH TYR A 668 -6.341 7.265 7.949 1.00 0.00 O ATOM 0 HA TYR A 668 -8.374 1.633 9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 668 -5.420 1.484 9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 668 -5.998 1.165 8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 668 -6.654 3.749 10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 668 -5.863 2.972 6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 668 -6.709 6.159 10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 668 -5.913 5.383 6.179 1.00 0.00 H new ATOM 0 HH TYR A 668 -6.523 7.755 8.778 1.00 0.00 H new ATOM 166 N THR A 669 -7.192 -1.138 10.344 1.00 0.00 N ATOM 167 CA THR A 669 -7.232 -2.600 10.252 1.00 0.00 C ATOM 168 C THR A 669 -8.671 -3.103 10.138 1.00 0.00 C ATOM 169 O THR A 669 -8.925 -4.131 9.507 1.00 0.00 O ATOM 170 CB THR A 669 -6.561 -3.229 11.476 1.00 0.00 C ATOM 171 OG1 THR A 669 -7.171 -2.774 12.672 1.00 0.00 O ATOM 172 CG2 THR A 669 -5.078 -2.929 11.572 1.00 0.00 C ATOM 0 H THR A 669 -6.806 -0.783 11.219 1.00 0.00 H new ATOM 0 HA THR A 669 -6.689 -2.894 9.354 1.00 0.00 H new ATOM 0 HB THR A 669 -6.688 -4.304 11.352 1.00 0.00 H new ATOM 0 HG1 THR A 669 -6.730 -3.188 13.443 1.00 0.00 H new ATOM 0 HG21 THR A 669 -4.667 -3.405 12.462 1.00 0.00 H new ATOM 0 HG22 THR A 669 -4.571 -3.314 10.688 1.00 0.00 H new ATOM 0 HG23 THR A 669 -4.928 -1.851 11.635 1.00 0.00 H new ATOM 180 N ALA A 670 -9.609 -2.372 10.744 1.00 0.00 N ATOM 181 CA ALA A 670 -11.020 -2.747 10.697 1.00 0.00 C ATOM 182 C ALA A 670 -11.501 -2.887 9.253 1.00 0.00 C ATOM 183 O ALA A 670 -12.370 -3.705 8.954 1.00 0.00 O ATOM 184 CB ALA A 670 -11.868 -1.723 11.439 1.00 0.00 C ATOM 0 H ALA A 670 -9.416 -1.520 11.271 1.00 0.00 H new ATOM 0 HA ALA A 670 -11.129 -3.714 11.188 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -12.916 -2.018 11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -11.549 -1.673 12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -11.746 -0.744 10.975 1.00 0.00 H new ATOM 190 N TYR A 671 -10.918 -2.087 8.359 1.00 0.00 N ATOM 191 CA TYR A 671 -11.271 -2.124 6.943 1.00 0.00 C ATOM 192 C TYR A 671 -10.385 -3.127 6.206 1.00 0.00 C ATOM 193 O TYR A 671 -9.272 -3.418 6.649 1.00 0.00 O ATOM 194 CB TYR A 671 -11.115 -0.732 6.314 1.00 0.00 C ATOM 195 CG TYR A 671 -11.698 0.392 7.147 1.00 0.00 C ATOM 196 CD1 TYR A 671 -10.953 1.005 8.148 1.00 0.00 C ATOM 197 CD2 TYR A 671 -12.992 0.846 6.926 1.00 0.00 C ATOM 198 CE1 TYR A 671 -11.480 2.034 8.905 1.00 0.00 C ATOM 199 CE2 TYR A 671 -13.526 1.876 7.676 1.00 0.00 C ATOM 200 CZ TYR A 671 -12.767 2.467 8.664 1.00 0.00 C ATOM 201 OH TYR A 671 -13.297 3.494 9.413 1.00 0.00 O ATOM 0 H TYR A 671 -10.197 -1.404 8.594 1.00 0.00 H new ATOM 0 HA TYR A 671 -12.312 -2.435 6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 671 -10.055 -0.536 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 671 -11.595 -0.731 5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 671 -9.944 0.671 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 671 -13.591 0.386 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 671 -10.888 2.496 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 671 -14.534 2.217 7.489 1.00 0.00 H new ATOM 0 HH TYR A 671 -14.213 3.677 9.115 1.00 0.00 H new ATOM 211 N PRO A 672 -10.860 -3.672 5.068 1.00 0.00 N ATOM 212 CA PRO A 672 -10.090 -4.644 4.281 1.00 0.00 C ATOM 213 C PRO A 672 -8.788 -4.052 3.737 1.00 0.00 C ATOM 214 O PRO A 672 -8.391 -2.951 4.118 1.00 0.00 O ATOM 215 CB PRO A 672 -11.040 -5.018 3.136 1.00 0.00 C ATOM 216 CG PRO A 672 -12.016 -3.895 3.055 1.00 0.00 C ATOM 217 CD PRO A 672 -12.175 -3.388 4.459 1.00 0.00 C ATOM 0 HA PRO A 672 -9.779 -5.499 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -10.498 -5.137 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -11.544 -5.964 3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 672 -11.652 -3.108 2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 672 -12.970 -4.235 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 672 -12.407 -2.323 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 672 -12.981 -3.900 4.984 1.00 0.00 H new ATOM 225 N TRP A 673 -8.129 -4.802 2.846 1.00 0.00 N ATOM 226 CA TRP A 673 -6.861 -4.382 2.227 1.00 0.00 C ATOM 227 C TRP A 673 -5.850 -3.843 3.250 1.00 0.00 C ATOM 228 O TRP A 673 -4.960 -3.065 2.898 1.00 0.00 O ATOM 229 CB TRP A 673 -7.102 -3.337 1.122 1.00 0.00 C ATOM 230 CG TRP A 673 -7.988 -2.191 1.522 1.00 0.00 C ATOM 231 CD1 TRP A 673 -9.348 -2.128 1.411 1.00 0.00 C ATOM 232 CD2 TRP A 673 -7.575 -0.942 2.095 1.00 0.00 C ATOM 233 NE1 TRP A 673 -9.806 -0.923 1.888 1.00 0.00 N ATOM 234 CE2 TRP A 673 -8.738 -0.178 2.312 1.00 0.00 C ATOM 235 CE3 TRP A 673 -6.338 -0.398 2.450 1.00 0.00 C ATOM 236 CZ2 TRP A 673 -8.697 1.102 2.863 1.00 0.00 C ATOM 237 CZ3 TRP A 673 -6.298 0.871 2.997 1.00 0.00 C ATOM 238 CH2 TRP A 673 -7.472 1.608 3.202 1.00 0.00 C ATOM 0 H TRP A 673 -8.457 -5.716 2.533 1.00 0.00 H new ATOM 0 HA TRP A 673 -6.428 -5.278 1.783 1.00 0.00 H new ATOM 0 HB2 TRP A 673 -6.139 -2.939 0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 673 -7.544 -3.836 0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 673 -9.973 -2.911 1.007 1.00 0.00 H new ATOM 0 HE1 TRP A 673 -10.783 -0.631 1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 673 -5.428 -0.960 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 -9.600 1.674 3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 -5.346 1.301 3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 673 -7.409 2.595 3.636 1.00 0.00 H new ATOM 249 N PHE A 674 -5.978 -4.259 4.512 1.00 0.00 N ATOM 250 CA PHE A 674 -5.063 -3.807 5.554 1.00 0.00 C ATOM 251 C PHE A 674 -4.580 -4.974 6.410 1.00 0.00 C ATOM 252 O PHE A 674 -5.371 -5.619 7.103 1.00 0.00 O ATOM 253 CB PHE A 674 -5.743 -2.753 6.435 1.00 0.00 C ATOM 254 CG PHE A 674 -4.775 -1.905 7.216 1.00 0.00 C ATOM 255 CD1 PHE A 674 -4.000 -2.466 8.218 1.00 0.00 C ATOM 256 CD2 PHE A 674 -4.641 -0.552 6.948 1.00 0.00 C ATOM 257 CE1 PHE A 674 -3.108 -1.696 8.937 1.00 0.00 C ATOM 258 CE2 PHE A 674 -3.750 0.224 7.664 1.00 0.00 C ATOM 259 CZ PHE A 674 -2.983 -0.348 8.660 1.00 0.00 C ATOM 0 H PHE A 674 -6.701 -4.903 4.832 1.00 0.00 H new ATOM 0 HA PHE A 674 -4.195 -3.361 5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -6.355 -2.106 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -6.418 -3.253 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -4.095 -3.519 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -5.239 -0.099 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -2.509 -2.146 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -3.653 1.277 7.445 1.00 0.00 H new ATOM 0 HZ PHE A 674 -2.287 0.257 9.221 1.00 0.00 H new ATOM 269 N ALA A 675 -3.273 -5.232 6.362 1.00 0.00 N ATOM 270 CA ALA A 675 -2.665 -6.310 7.136 1.00 0.00 C ATOM 271 C ALA A 675 -1.794 -5.744 8.259 1.00 0.00 C ATOM 272 O ALA A 675 -1.709 -4.527 8.433 1.00 0.00 O ATOM 273 CB ALA A 675 -1.845 -7.217 6.227 1.00 0.00 C ATOM 0 H ALA A 675 -2.613 -4.704 5.791 1.00 0.00 H new ATOM 0 HA ALA A 675 -3.461 -6.901 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 675 -1.398 -8.016 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 675 -2.493 -7.649 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 675 -1.057 -6.636 5.748 1.00 0.00 H new ATOM 279 N GLY A 676 -1.153 -6.631 9.022 1.00 0.00 N ATOM 280 CA GLY A 676 -0.303 -6.197 10.121 1.00 0.00 C ATOM 281 C GLY A 676 1.155 -6.566 9.924 1.00 0.00 C ATOM 282 O GLY A 676 1.679 -6.481 8.811 1.00 0.00 O ATOM 0 H GLY A 676 -1.208 -7.642 8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -0.387 -5.116 10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -0.663 -6.642 11.049 1.00 0.00 H new ATOM 286 N ASN A 677 1.810 -6.977 11.010 1.00 0.00 N ATOM 287 CA ASN A 677 3.220 -7.363 10.963 1.00 0.00 C ATOM 288 C ASN A 677 3.379 -8.764 10.371 1.00 0.00 C ATOM 289 O ASN A 677 3.519 -9.749 11.102 1.00 0.00 O ATOM 290 CB ASN A 677 3.840 -7.309 12.364 1.00 0.00 C ATOM 291 CG ASN A 677 4.227 -5.900 12.779 1.00 0.00 C ATOM 292 OD1 ASN A 677 3.490 -4.945 12.538 1.00 0.00 O ATOM 293 ND2 ASN A 677 5.391 -5.762 13.409 1.00 0.00 N ATOM 0 H ASN A 677 1.386 -7.051 11.935 1.00 0.00 H new ATOM 0 HA ASN A 677 3.743 -6.654 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 677 3.132 -7.715 13.086 1.00 0.00 H new ATOM 0 HB3 ASN A 677 4.723 -7.947 12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 677 5.701 -4.838 13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 677 5.973 -6.580 13.590 1.00 0.00 H new ATOM 300 N MET A 678 3.345 -8.846 9.042 1.00 0.00 N ATOM 301 CA MET A 678 3.480 -10.120 8.338 1.00 0.00 C ATOM 302 C MET A 678 4.853 -10.244 7.677 1.00 0.00 C ATOM 303 O MET A 678 5.572 -9.254 7.527 1.00 0.00 O ATOM 304 CB MET A 678 2.378 -10.259 7.283 1.00 0.00 C ATOM 305 CG MET A 678 1.180 -11.065 7.756 1.00 0.00 C ATOM 306 SD MET A 678 -0.382 -10.438 7.105 1.00 0.00 S ATOM 307 CE MET A 678 -0.496 -11.340 5.561 1.00 0.00 C ATOM 0 H MET A 678 3.224 -8.040 8.428 1.00 0.00 H new ATOM 0 HA MET A 678 3.381 -10.921 9.070 1.00 0.00 H new ATOM 0 HB2 MET A 678 2.042 -9.265 6.987 1.00 0.00 H new ATOM 0 HB3 MET A 678 2.795 -10.732 6.394 1.00 0.00 H new ATOM 0 HG2 MET A 678 1.304 -12.105 7.453 1.00 0.00 H new ATOM 0 HG3 MET A 678 1.146 -11.053 8.845 1.00 0.00 H new ATOM 0 HE1 MET A 678 -1.130 -10.791 4.865 1.00 0.00 H new ATOM 0 HE2 MET A 678 0.499 -11.454 5.132 1.00 0.00 H new ATOM 0 HE3 MET A 678 -0.927 -12.324 5.746 1.00 0.00 H new ATOM 317 N GLU A 679 5.208 -11.469 7.287 1.00 0.00 N ATOM 318 CA GLU A 679 6.495 -11.734 6.643 1.00 0.00 C ATOM 319 C GLU A 679 6.449 -11.411 5.150 1.00 0.00 C ATOM 320 O GLU A 679 5.391 -11.477 4.521 1.00 0.00 O ATOM 321 CB GLU A 679 6.895 -13.201 6.835 1.00 0.00 C ATOM 322 CG GLU A 679 7.441 -13.514 8.222 1.00 0.00 C ATOM 323 CD GLU A 679 7.577 -15.006 8.482 1.00 0.00 C ATOM 324 OE1 GLU A 679 6.655 -15.764 8.114 1.00 0.00 O ATOM 325 OE2 GLU A 679 8.610 -15.414 9.056 1.00 0.00 O ATOM 0 H GLU A 679 4.621 -12.295 7.406 1.00 0.00 H new ATOM 0 HA GLU A 679 7.237 -11.088 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 679 6.027 -13.832 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 679 7.647 -13.463 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 679 8.415 -13.040 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 679 6.782 -13.078 8.973 1.00 0.00 H new ATOM 332 N ARG A 680 7.612 -11.074 4.586 1.00 0.00 N ATOM 333 CA ARG A 680 7.713 -10.752 3.162 1.00 0.00 C ATOM 334 C ARG A 680 7.306 -11.950 2.304 1.00 0.00 C ATOM 335 O ARG A 680 6.590 -11.798 1.313 1.00 0.00 O ATOM 336 CB ARG A 680 9.141 -10.317 2.810 1.00 0.00 C ATOM 337 CG ARG A 680 9.265 -9.681 1.432 1.00 0.00 C ATOM 338 CD ARG A 680 10.140 -10.512 0.504 1.00 0.00 C ATOM 339 NE ARG A 680 9.786 -10.322 -0.903 1.00 0.00 N ATOM 340 CZ ARG A 680 10.595 -10.617 -1.929 1.00 0.00 C ATOM 341 NH1 ARG A 680 11.802 -11.136 -1.711 1.00 0.00 N ATOM 342 NH2 ARG A 680 10.192 -10.401 -3.175 1.00 0.00 N ATOM 0 H ARG A 680 8.495 -11.017 5.094 1.00 0.00 H new ATOM 0 HA ARG A 680 7.031 -9.928 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 680 9.491 -9.608 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 680 9.799 -11.185 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 680 8.274 -9.568 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 680 9.686 -8.680 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 680 11.185 -10.242 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 680 10.043 -11.566 0.763 1.00 0.00 H new ATOM 0 HE ARG A 680 8.864 -9.941 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 680 12.117 -11.312 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 680 12.412 -11.358 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 680 9.266 -10.010 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 680 10.808 -10.626 -3.956 1.00 0.00 H new ATOM 356 N GLN A 681 7.768 -13.140 2.697 1.00 0.00 N ATOM 357 CA GLN A 681 7.452 -14.371 1.971 1.00 0.00 C ATOM 358 C GLN A 681 5.947 -14.637 1.970 1.00 0.00 C ATOM 359 O GLN A 681 5.405 -15.159 0.996 1.00 0.00 O ATOM 360 CB GLN A 681 8.183 -15.568 2.591 1.00 0.00 C ATOM 361 CG GLN A 681 9.653 -15.309 2.887 1.00 0.00 C ATOM 362 CD GLN A 681 10.444 -16.593 3.060 1.00 0.00 C ATOM 363 OE1 GLN A 681 10.260 -17.321 4.034 1.00 0.00 O ATOM 364 NE2 GLN A 681 11.331 -16.875 2.112 1.00 0.00 N ATOM 0 H GLN A 681 8.362 -13.276 3.515 1.00 0.00 H new ATOM 0 HA GLN A 681 7.786 -14.241 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 681 7.680 -15.848 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 681 8.103 -16.419 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 681 10.087 -14.725 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 681 9.738 -14.708 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 681 11.451 -16.242 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 681 11.892 -17.724 2.175 1.00 0.00 H new ATOM 373 N GLN A 682 5.279 -14.275 3.068 1.00 0.00 N ATOM 374 CA GLN A 682 3.841 -14.472 3.193 1.00 0.00 C ATOM 375 C GLN A 682 3.093 -13.664 2.143 1.00 0.00 C ATOM 376 O GLN A 682 2.373 -14.220 1.316 1.00 0.00 O ATOM 377 CB GLN A 682 3.373 -14.055 4.585 1.00 0.00 C ATOM 378 CG GLN A 682 2.437 -15.056 5.245 1.00 0.00 C ATOM 379 CD GLN A 682 1.097 -15.165 4.539 1.00 0.00 C ATOM 380 OE1 GLN A 682 0.124 -14.523 4.931 1.00 0.00 O ATOM 381 NE2 GLN A 682 1.036 -15.987 3.495 1.00 0.00 N ATOM 0 H GLN A 682 5.716 -13.843 3.882 1.00 0.00 H new ATOM 0 HA GLN A 682 3.628 -15.530 3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 682 4.245 -13.912 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.868 -13.092 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 682 2.914 -16.036 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 682 2.273 -14.764 6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 682 1.866 -16.502 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 682 0.159 -16.103 2.988 1.00 0.00 H new ATOM 390 N THR A 683 3.273 -12.344 2.191 1.00 0.00 N ATOM 391 CA THR A 683 2.617 -11.439 1.246 1.00 0.00 C ATOM 392 C THR A 683 2.790 -11.927 -0.193 1.00 0.00 C ATOM 393 O THR A 683 1.834 -11.942 -0.969 1.00 0.00 O ATOM 394 CB THR A 683 3.176 -10.018 1.381 1.00 0.00 C ATOM 395 OG1 THR A 683 3.028 -9.543 2.709 1.00 0.00 O ATOM 396 CG2 THR A 683 2.505 -9.020 0.458 1.00 0.00 C ATOM 0 H THR A 683 3.868 -11.877 2.875 1.00 0.00 H new ATOM 0 HA THR A 683 1.553 -11.427 1.484 1.00 0.00 H new ATOM 0 HB THR A 683 4.228 -10.094 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 683 3.831 -9.046 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 683 2.947 -8.035 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 683 2.645 -9.331 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 683 1.439 -8.976 0.683 1.00 0.00 H new ATOM 404 N ASP A 684 4.014 -12.326 -0.542 1.00 0.00 N ATOM 405 CA ASP A 684 4.311 -12.815 -1.889 1.00 0.00 C ATOM 406 C ASP A 684 3.614 -14.147 -2.160 1.00 0.00 C ATOM 407 O ASP A 684 2.974 -14.317 -3.199 1.00 0.00 O ATOM 408 CB ASP A 684 5.821 -12.975 -2.086 1.00 0.00 C ATOM 409 CG ASP A 684 6.233 -12.793 -3.534 1.00 0.00 C ATOM 410 OD1 ASP A 684 5.869 -13.650 -4.368 1.00 0.00 O ATOM 411 OD2 ASP A 684 6.915 -11.792 -3.834 1.00 0.00 O ATOM 0 H ASP A 684 4.815 -12.320 0.089 1.00 0.00 H new ATOM 0 HA ASP A 684 3.935 -12.076 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 684 6.345 -12.247 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 684 6.127 -13.964 -1.745 1.00 0.00 H new ATOM 416 N ASN A 685 3.752 -15.091 -1.226 1.00 0.00 N ATOM 417 CA ASN A 685 3.142 -16.414 -1.368 1.00 0.00 C ATOM 418 C ASN A 685 1.620 -16.318 -1.446 1.00 0.00 C ATOM 419 O ASN A 685 0.982 -17.051 -2.202 1.00 0.00 O ATOM 420 CB ASN A 685 3.550 -17.324 -0.203 1.00 0.00 C ATOM 421 CG ASN A 685 4.862 -18.045 -0.457 1.00 0.00 C ATOM 422 OD1 ASN A 685 5.037 -18.696 -1.488 1.00 0.00 O ATOM 423 ND2 ASN A 685 5.795 -17.937 0.484 1.00 0.00 N ATOM 0 H ASN A 685 4.281 -14.963 -0.363 1.00 0.00 H new ATOM 0 HA ASN A 685 3.505 -16.846 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 685 3.637 -16.728 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 685 2.764 -18.059 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 685 6.695 -18.403 0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 685 5.611 -17.388 1.324 1.00 0.00 H new ATOM 430 N LEU A 686 1.045 -15.408 -0.663 1.00 0.00 N ATOM 431 CA LEU A 686 -0.403 -15.215 -0.649 1.00 0.00 C ATOM 432 C LEU A 686 -0.878 -14.581 -1.954 1.00 0.00 C ATOM 433 O LEU A 686 -1.832 -15.055 -2.570 1.00 0.00 O ATOM 434 CB LEU A 686 -0.818 -14.341 0.541 1.00 0.00 C ATOM 435 CG LEU A 686 -2.159 -14.717 1.182 1.00 0.00 C ATOM 436 CD1 LEU A 686 -2.099 -14.544 2.693 1.00 0.00 C ATOM 437 CD2 LEU A 686 -3.288 -13.880 0.592 1.00 0.00 C ATOM 0 H LEU A 686 1.559 -14.794 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 686 -0.873 -16.193 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 686 -0.040 -14.396 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 686 -0.868 -13.303 0.211 1.00 0.00 H new ATOM 0 HG LEU A 686 -2.359 -15.766 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 686 -3.060 -14.816 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 686 -1.320 -15.187 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 686 -1.874 -13.505 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 686 -4.232 -14.161 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 686 -3.092 -12.824 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 686 -3.348 -14.056 -0.482 1.00 0.00 H new ATOM 449 N LEU A 687 -0.200 -13.510 -2.373 1.00 0.00 N ATOM 450 CA LEU A 687 -0.552 -12.817 -3.611 1.00 0.00 C ATOM 451 C LEU A 687 -0.353 -13.721 -4.831 1.00 0.00 C ATOM 452 O LEU A 687 -0.996 -13.528 -5.863 1.00 0.00 O ATOM 453 CB LEU A 687 0.276 -11.537 -3.765 1.00 0.00 C ATOM 454 CG LEU A 687 -0.125 -10.382 -2.841 1.00 0.00 C ATOM 455 CD1 LEU A 687 1.001 -9.363 -2.743 1.00 0.00 C ATOM 456 CD2 LEU A 687 -1.404 -9.722 -3.336 1.00 0.00 C ATOM 0 H LEU A 687 0.593 -13.106 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 687 -1.608 -12.552 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 687 1.324 -11.778 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 687 0.200 -11.197 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 687 -0.311 -10.785 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 687 0.699 -8.550 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 687 1.893 -9.844 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 687 1.218 -8.964 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 687 -1.674 -8.904 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 687 -1.247 -9.332 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 687 -2.209 -10.457 -3.354 1.00 0.00 H new ATOM 468 N LYS A 688 0.540 -14.710 -4.706 1.00 0.00 N ATOM 469 CA LYS A 688 0.814 -15.641 -5.801 1.00 0.00 C ATOM 470 C LYS A 688 -0.461 -16.349 -6.254 1.00 0.00 C ATOM 471 O LYS A 688 -0.756 -16.406 -7.447 1.00 0.00 O ATOM 472 CB LYS A 688 1.854 -16.683 -5.376 1.00 0.00 C ATOM 473 CG LYS A 688 3.280 -16.305 -5.741 1.00 0.00 C ATOM 474 CD LYS A 688 4.207 -17.511 -5.717 1.00 0.00 C ATOM 475 CE LYS A 688 4.148 -18.289 -7.024 1.00 0.00 C ATOM 476 NZ LYS A 688 4.461 -19.732 -6.828 1.00 0.00 N ATOM 0 H LYS A 688 1.082 -14.884 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 688 1.207 -15.060 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 688 1.790 -16.828 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 688 1.610 -17.638 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 688 3.294 -15.855 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 688 3.646 -15.551 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 688 5.230 -17.181 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 688 3.932 -18.166 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 688 3.154 -18.189 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 688 4.853 -17.858 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 4.410 -20.226 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 5.419 -19.829 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 3.773 -20.150 -6.170 1.00 0.00 H new ATOM 490 N SER A 689 -1.212 -16.887 -5.291 1.00 0.00 N ATOM 491 CA SER A 689 -2.459 -17.593 -5.587 1.00 0.00 C ATOM 492 C SER A 689 -3.485 -16.653 -6.223 1.00 0.00 C ATOM 493 O SER A 689 -4.228 -17.052 -7.122 1.00 0.00 O ATOM 494 CB SER A 689 -3.039 -18.219 -4.315 1.00 0.00 C ATOM 495 OG SER A 689 -2.009 -18.657 -3.443 1.00 0.00 O ATOM 0 H SER A 689 -0.978 -16.847 -4.299 1.00 0.00 H new ATOM 0 HA SER A 689 -2.232 -18.387 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 689 -3.668 -17.491 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 689 -3.678 -19.062 -4.580 1.00 0.00 H new ATOM 0 HG SER A 689 -2.407 -19.051 -2.639 1.00 0.00 H new ATOM 501 N HIS A 690 -3.517 -15.404 -5.755 1.00 0.00 N ATOM 502 CA HIS A 690 -4.449 -14.406 -6.280 1.00 0.00 C ATOM 503 C HIS A 690 -4.089 -14.022 -7.719 1.00 0.00 C ATOM 504 O HIS A 690 -3.041 -14.416 -8.231 1.00 0.00 O ATOM 505 CB HIS A 690 -4.445 -13.156 -5.391 1.00 0.00 C ATOM 506 CG HIS A 690 -5.238 -13.307 -4.126 1.00 0.00 C ATOM 507 ND1 HIS A 690 -6.572 -12.975 -4.030 1.00 0.00 N ATOM 508 CD2 HIS A 690 -4.872 -13.739 -2.895 1.00 0.00 C ATOM 509 CE1 HIS A 690 -6.992 -13.193 -2.797 1.00 0.00 C ATOM 510 NE2 HIS A 690 -5.979 -13.657 -2.086 1.00 0.00 N ATOM 0 H HIS A 690 -2.908 -15.060 -5.013 1.00 0.00 H new ATOM 0 HA HIS A 690 -5.447 -14.844 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 690 -3.415 -12.907 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 690 -4.844 -12.316 -5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 690 -3.891 -14.084 -2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 690 -7.994 -13.021 -2.432 1.00 0.00 H new ATOM 0 HE2 HIS A 690 -6.014 -13.912 -1.099 1.00 0.00 H new ATOM 519 N ALA A 691 -4.966 -13.251 -8.365 1.00 0.00 N ATOM 520 CA ALA A 691 -4.742 -12.815 -9.742 1.00 0.00 C ATOM 521 C ALA A 691 -4.226 -11.374 -9.792 1.00 0.00 C ATOM 522 O ALA A 691 -3.819 -10.815 -8.769 1.00 0.00 O ATOM 523 CB ALA A 691 -6.027 -12.947 -10.548 1.00 0.00 C ATOM 0 H ALA A 691 -5.838 -12.916 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 691 -3.979 -13.458 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 691 -5.849 -12.620 -11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 691 -6.350 -13.988 -10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 691 -6.803 -12.328 -10.099 1.00 0.00 H new ATOM 529 N SER A 692 -4.246 -10.773 -10.985 1.00 0.00 N ATOM 530 CA SER A 692 -3.785 -9.398 -11.161 1.00 0.00 C ATOM 531 C SER A 692 -4.800 -8.410 -10.593 1.00 0.00 C ATOM 532 O SER A 692 -5.999 -8.514 -10.861 1.00 0.00 O ATOM 533 CB SER A 692 -3.546 -9.091 -12.643 1.00 0.00 C ATOM 534 OG SER A 692 -2.323 -9.649 -13.090 1.00 0.00 O ATOM 0 H SER A 692 -4.577 -11.219 -11.841 1.00 0.00 H new ATOM 0 HA SER A 692 -2.845 -9.291 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 692 -4.369 -9.489 -13.237 1.00 0.00 H new ATOM 0 HB3 SER A 692 -3.534 -8.012 -12.796 1.00 0.00 H new ATOM 0 HG SER A 692 -2.196 -9.440 -14.039 1.00 0.00 H new ATOM 540 N GLY A 693 -4.311 -7.459 -9.803 1.00 0.00 N ATOM 541 CA GLY A 693 -5.182 -6.463 -9.199 1.00 0.00 C ATOM 542 C GLY A 693 -5.220 -6.558 -7.681 1.00 0.00 C ATOM 543 O GLY A 693 -5.688 -5.638 -7.010 1.00 0.00 O ATOM 0 H GLY A 693 -3.323 -7.359 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 693 -4.844 -5.468 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 693 -6.192 -6.583 -9.592 1.00 0.00 H new ATOM 547 N THR A 694 -4.730 -7.676 -7.140 1.00 0.00 N ATOM 548 CA THR A 694 -4.711 -7.891 -5.695 1.00 0.00 C ATOM 549 C THR A 694 -3.794 -6.880 -5.007 1.00 0.00 C ATOM 550 O THR A 694 -2.620 -6.757 -5.362 1.00 0.00 O ATOM 551 CB THR A 694 -4.251 -9.317 -5.376 1.00 0.00 C ATOM 552 OG1 THR A 694 -4.720 -10.229 -6.353 1.00 0.00 O ATOM 553 CG2 THR A 694 -4.724 -9.809 -4.026 1.00 0.00 C ATOM 0 H THR A 694 -4.341 -8.446 -7.684 1.00 0.00 H new ATOM 0 HA THR A 694 -5.724 -7.751 -5.317 1.00 0.00 H new ATOM 0 HB THR A 694 -3.162 -9.273 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 694 -4.059 -10.307 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 694 -4.364 -10.825 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 694 -4.336 -9.156 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 694 -5.814 -9.801 -3.997 1.00 0.00 H new ATOM 561 N TYR A 695 -4.338 -6.155 -4.027 1.00 0.00 N ATOM 562 CA TYR A 695 -3.569 -5.146 -3.298 1.00 0.00 C ATOM 563 C TYR A 695 -3.735 -5.298 -1.783 1.00 0.00 C ATOM 564 O TYR A 695 -4.762 -5.788 -1.306 1.00 0.00 O ATOM 565 CB TYR A 695 -4.000 -3.740 -3.731 1.00 0.00 C ATOM 566 CG TYR A 695 -5.427 -3.392 -3.354 1.00 0.00 C ATOM 567 CD1 TYR A 695 -6.495 -3.804 -4.140 1.00 0.00 C ATOM 568 CD2 TYR A 695 -5.701 -2.652 -2.211 1.00 0.00 C ATOM 569 CE1 TYR A 695 -7.797 -3.490 -3.797 1.00 0.00 C ATOM 570 CE2 TYR A 695 -7.000 -2.334 -1.861 1.00 0.00 C ATOM 571 CZ TYR A 695 -8.044 -2.755 -2.657 1.00 0.00 C ATOM 572 OH TYR A 695 -9.338 -2.442 -2.310 1.00 0.00 O ATOM 0 H TYR A 695 -5.307 -6.248 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 695 -2.516 -5.294 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 695 -3.327 -3.010 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 695 -3.888 -3.653 -4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 695 -6.305 -4.379 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 695 -4.886 -2.320 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 695 -8.616 -3.819 -4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 695 -7.196 -1.759 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 695 -9.337 -1.921 -1.480 1.00 0.00 H new ATOM 582 N LEU A 696 -2.718 -4.867 -1.036 1.00 0.00 N ATOM 583 CA LEU A 696 -2.740 -4.942 0.425 1.00 0.00 C ATOM 584 C LEU A 696 -1.623 -4.096 1.041 1.00 0.00 C ATOM 585 O LEU A 696 -0.604 -3.837 0.399 1.00 0.00 O ATOM 586 CB LEU A 696 -2.612 -6.396 0.893 1.00 0.00 C ATOM 587 CG LEU A 696 -1.255 -7.056 0.624 1.00 0.00 C ATOM 588 CD1 LEU A 696 -0.379 -7.006 1.868 1.00 0.00 C ATOM 589 CD2 LEU A 696 -1.443 -8.494 0.161 1.00 0.00 C ATOM 0 H LEU A 696 -1.865 -4.461 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 696 -3.697 -4.544 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -2.809 -6.434 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -3.387 -6.987 0.405 1.00 0.00 H new ATOM 0 HG LEU A 696 -0.755 -6.501 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 696 0.580 -7.479 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -0.215 -5.968 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -0.873 -7.535 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -0.469 -8.947 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -1.964 -9.060 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -2.030 -8.507 -0.757 1.00 0.00 H new ATOM 601 N ILE A 697 -1.824 -3.675 2.290 1.00 0.00 N ATOM 602 CA ILE A 697 -0.838 -2.862 3.003 1.00 0.00 C ATOM 603 C ILE A 697 -0.460 -3.511 4.336 1.00 0.00 C ATOM 604 O ILE A 697 -1.325 -4.004 5.058 1.00 0.00 O ATOM 605 CB ILE A 697 -1.362 -1.434 3.268 1.00 0.00 C ATOM 606 CG1 ILE A 697 -1.929 -0.818 1.983 1.00 0.00 C ATOM 607 CG2 ILE A 697 -0.257 -0.554 3.839 1.00 0.00 C ATOM 608 CD1 ILE A 697 -2.782 0.410 2.225 1.00 0.00 C ATOM 0 H ILE A 697 -2.663 -3.884 2.830 1.00 0.00 H new ATOM 0 HA ILE A 697 0.043 -2.799 2.364 1.00 0.00 H new ATOM 0 HB ILE A 697 -2.165 -1.497 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 697 -1.104 -0.553 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 697 -2.525 -1.568 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 697 -0.646 0.448 4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 697 0.098 -0.979 4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 697 0.569 -0.501 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 697 -3.149 0.792 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 697 -3.628 0.146 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 697 -2.184 1.177 2.717 1.00 0.00 H new ATOM 620 N ARG A 698 0.835 -3.505 4.655 1.00 0.00 N ATOM 621 CA ARG A 698 1.327 -4.097 5.903 1.00 0.00 C ATOM 622 C ARG A 698 2.030 -3.055 6.771 1.00 0.00 C ATOM 623 O ARG A 698 2.373 -1.967 6.302 1.00 0.00 O ATOM 624 CB ARG A 698 2.287 -5.253 5.606 1.00 0.00 C ATOM 625 CG ARG A 698 1.771 -6.232 4.562 1.00 0.00 C ATOM 626 CD ARG A 698 2.853 -6.601 3.561 1.00 0.00 C ATOM 627 NE ARG A 698 3.354 -5.433 2.835 1.00 0.00 N ATOM 628 CZ ARG A 698 4.565 -5.361 2.276 1.00 0.00 C ATOM 629 NH1 ARG A 698 5.400 -6.394 2.336 1.00 0.00 N ATOM 630 NH2 ARG A 698 4.938 -4.254 1.646 1.00 0.00 N ATOM 0 H ARG A 698 1.563 -3.097 4.068 1.00 0.00 H new ATOM 0 HA ARG A 698 0.464 -4.477 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 698 3.239 -4.844 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 698 2.485 -5.795 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 698 1.408 -7.134 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 698 0.923 -5.792 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 698 3.679 -7.085 4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 698 2.457 -7.326 2.850 1.00 0.00 H new ATOM 0 HE ARG A 698 2.740 -4.623 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 698 5.118 -7.251 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 698 6.323 -6.330 1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 698 4.300 -3.460 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 698 5.862 -4.197 1.219 1.00 0.00 H new ATOM 644 N GLU A 699 2.250 -3.401 8.042 1.00 0.00 N ATOM 645 CA GLU A 699 2.918 -2.502 8.982 1.00 0.00 C ATOM 646 C GLU A 699 4.397 -2.857 9.126 1.00 0.00 C ATOM 647 O GLU A 699 4.767 -4.033 9.150 1.00 0.00 O ATOM 648 CB GLU A 699 2.234 -2.557 10.353 1.00 0.00 C ATOM 649 CG GLU A 699 2.603 -1.394 11.266 1.00 0.00 C ATOM 650 CD GLU A 699 1.661 -1.248 12.447 1.00 0.00 C ATOM 651 OE1 GLU A 699 0.445 -1.065 12.218 1.00 0.00 O ATOM 652 OE2 GLU A 699 2.139 -1.312 13.600 1.00 0.00 O ATOM 0 H GLU A 699 1.975 -4.298 8.442 1.00 0.00 H new ATOM 0 HA GLU A 699 2.843 -1.489 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 699 1.153 -2.567 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 699 2.500 -3.493 10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 699 3.619 -1.536 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 699 2.599 -0.470 10.688 1.00 0.00 H new ATOM 659 N ARG A 700 5.240 -1.828 9.226 1.00 0.00 N ATOM 660 CA ARG A 700 6.679 -2.021 9.376 1.00 0.00 C ATOM 661 C ARG A 700 7.269 -0.971 10.319 1.00 0.00 C ATOM 662 O ARG A 700 7.552 0.156 9.908 1.00 0.00 O ATOM 663 CB ARG A 700 7.368 -1.962 8.010 1.00 0.00 C ATOM 664 CG ARG A 700 8.547 -2.914 7.882 1.00 0.00 C ATOM 665 CD ARG A 700 8.086 -4.349 7.666 1.00 0.00 C ATOM 666 NE ARG A 700 8.493 -4.863 6.359 1.00 0.00 N ATOM 667 CZ ARG A 700 8.530 -6.159 6.039 1.00 0.00 C ATOM 668 NH1 ARG A 700 8.150 -7.083 6.917 1.00 0.00 N ATOM 669 NH2 ARG A 700 8.941 -6.529 4.834 1.00 0.00 N ATOM 0 H ARG A 700 4.948 -0.851 9.205 1.00 0.00 H new ATOM 0 HA ARG A 700 6.851 -3.006 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 700 6.638 -2.194 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 700 7.713 -0.944 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 700 9.177 -2.604 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 700 9.159 -2.859 8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 700 8.498 -4.984 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 700 7.001 -4.398 7.753 1.00 0.00 H new ATOM 0 HE ARG A 700 8.766 -4.188 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 700 7.827 -6.804 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 700 8.182 -8.071 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 700 9.228 -5.825 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 700 8.970 -7.518 4.587 1.00 0.00 H new ATOM 683 N PRO A 701 7.455 -1.332 11.604 1.00 0.00 N ATOM 684 CA PRO A 701 8.005 -0.422 12.624 1.00 0.00 C ATOM 685 C PRO A 701 9.368 0.153 12.232 1.00 0.00 C ATOM 686 O PRO A 701 10.376 -0.554 12.247 1.00 0.00 O ATOM 687 CB PRO A 701 8.142 -1.313 13.864 1.00 0.00 C ATOM 688 CG PRO A 701 7.164 -2.415 13.654 1.00 0.00 C ATOM 689 CD PRO A 701 7.131 -2.655 12.171 1.00 0.00 C ATOM 0 HA PRO A 701 7.364 0.447 12.771 1.00 0.00 H new ATOM 0 HB2 PRO A 701 9.157 -1.699 13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 701 7.922 -0.758 14.776 1.00 0.00 H new ATOM 0 HG2 PRO A 701 7.468 -3.315 14.189 1.00 0.00 H new ATOM 0 HG3 PRO A 701 6.178 -2.139 14.028 1.00 0.00 H new ATOM 0 HD2 PRO A 701 7.857 -3.410 11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 701 6.152 -3.005 11.842 1.00 0.00 H new ATOM 697 N ALA A 702 9.388 1.442 11.884 1.00 0.00 N ATOM 698 CA ALA A 702 10.625 2.116 11.490 1.00 0.00 C ATOM 699 C ALA A 702 10.446 3.635 11.450 1.00 0.00 C ATOM 700 O ALA A 702 9.320 4.135 11.429 1.00 0.00 O ATOM 701 CB ALA A 702 11.101 1.612 10.135 1.00 0.00 C ATOM 0 H ALA A 702 8.561 2.039 11.867 1.00 0.00 H new ATOM 0 HA ALA A 702 11.380 1.883 12.241 1.00 0.00 H new ATOM 0 HB1 ALA A 702 12.022 2.125 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 702 11.286 0.539 10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 702 10.336 1.810 9.384 1.00 0.00 H new ATOM 707 N GLU A 703 11.566 4.363 11.434 1.00 0.00 N ATOM 708 CA GLU A 703 11.533 5.825 11.387 1.00 0.00 C ATOM 709 C GLU A 703 11.394 6.322 9.948 1.00 0.00 C ATOM 710 O GLU A 703 10.564 7.185 9.660 1.00 0.00 O ATOM 711 CB GLU A 703 12.800 6.415 12.015 1.00 0.00 C ATOM 712 CG GLU A 703 12.776 6.441 13.537 1.00 0.00 C ATOM 713 CD GLU A 703 14.128 6.771 14.146 1.00 0.00 C ATOM 714 OE1 GLU A 703 14.771 7.740 13.685 1.00 0.00 O ATOM 715 OE2 GLU A 703 14.542 6.062 15.086 1.00 0.00 O ATOM 0 H GLU A 703 12.504 3.964 11.453 1.00 0.00 H new ATOM 0 HA GLU A 703 10.665 6.156 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 703 13.662 5.836 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 703 12.938 7.431 11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 703 12.044 7.176 13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 703 12.444 5.471 13.906 1.00 0.00 H new ATOM 722 N ALA A 704 12.212 5.769 9.050 1.00 0.00 N ATOM 723 CA ALA A 704 12.182 6.154 7.641 1.00 0.00 C ATOM 724 C ALA A 704 10.831 5.821 7.005 1.00 0.00 C ATOM 725 O ALA A 704 10.205 6.679 6.381 1.00 0.00 O ATOM 726 CB ALA A 704 13.315 5.474 6.881 1.00 0.00 C ATOM 0 H ALA A 704 12.903 5.053 9.275 1.00 0.00 H new ATOM 0 HA ALA A 704 12.321 7.234 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 704 13.279 5.771 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 704 14.271 5.772 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 704 13.205 4.392 6.956 1.00 0.00 H new ATOM 732 N GLU A 705 10.387 4.574 7.173 1.00 0.00 N ATOM 733 CA GLU A 705 9.108 4.130 6.621 1.00 0.00 C ATOM 734 C GLU A 705 8.143 3.730 7.734 1.00 0.00 C ATOM 735 O GLU A 705 8.539 3.083 8.704 1.00 0.00 O ATOM 736 CB GLU A 705 9.319 2.948 5.670 1.00 0.00 C ATOM 737 CG GLU A 705 10.052 3.314 4.386 1.00 0.00 C ATOM 738 CD GLU A 705 11.558 3.405 4.567 1.00 0.00 C ATOM 739 OE1 GLU A 705 12.132 2.535 5.257 1.00 0.00 O ATOM 740 OE2 GLU A 705 12.164 4.347 4.016 1.00 0.00 O ATOM 0 H GLU A 705 10.895 3.854 7.687 1.00 0.00 H new ATOM 0 HA GLU A 705 8.674 4.963 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 705 9.881 2.172 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 705 8.349 2.522 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 705 9.828 2.570 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 705 9.677 4.270 4.020 1.00 0.00 H new ATOM 747 N ARG A 706 6.875 4.109 7.584 1.00 0.00 N ATOM 748 CA ARG A 706 5.857 3.776 8.579 1.00 0.00 C ATOM 749 C ARG A 706 5.035 2.564 8.133 1.00 0.00 C ATOM 750 O ARG A 706 4.667 1.723 8.956 1.00 0.00 O ATOM 751 CB ARG A 706 4.937 4.975 8.831 1.00 0.00 C ATOM 752 CG ARG A 706 4.260 4.942 10.195 1.00 0.00 C ATOM 753 CD ARG A 706 3.863 6.335 10.665 1.00 0.00 C ATOM 754 NE ARG A 706 5.018 7.221 10.811 1.00 0.00 N ATOM 755 CZ ARG A 706 5.914 7.125 11.797 1.00 0.00 C ATOM 756 NH1 ARG A 706 5.796 6.181 12.727 1.00 0.00 N ATOM 757 NH2 ARG A 706 6.930 7.978 11.854 1.00 0.00 N ATOM 0 H ARG A 706 6.529 4.644 6.787 1.00 0.00 H new ATOM 0 HA ARG A 706 6.365 3.524 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 706 5.517 5.893 8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 706 4.172 5.006 8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 706 3.374 4.309 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 706 4.933 4.491 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 706 3.162 6.770 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 706 3.343 6.260 11.620 1.00 0.00 H new ATOM 0 HE ARG A 706 5.147 7.957 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.017 5.524 12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 706 6.485 6.115 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 706 7.026 8.705 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 706 7.615 7.906 12.606 1.00 0.00 H new ATOM 771 N PHE A 707 4.752 2.482 6.831 1.00 0.00 N ATOM 772 CA PHE A 707 3.976 1.371 6.280 1.00 0.00 C ATOM 773 C PHE A 707 4.550 0.904 4.941 1.00 0.00 C ATOM 774 O PHE A 707 5.476 1.516 4.407 1.00 0.00 O ATOM 775 CB PHE A 707 2.512 1.784 6.103 1.00 0.00 C ATOM 776 CG PHE A 707 1.744 1.843 7.394 1.00 0.00 C ATOM 777 CD1 PHE A 707 1.110 0.716 7.890 1.00 0.00 C ATOM 778 CD2 PHE A 707 1.659 3.027 8.110 1.00 0.00 C ATOM 779 CE1 PHE A 707 0.405 0.767 9.077 1.00 0.00 C ATOM 780 CE2 PHE A 707 0.954 3.083 9.296 1.00 0.00 C ATOM 781 CZ PHE A 707 0.326 1.954 9.780 1.00 0.00 C ATOM 0 H PHE A 707 5.049 3.171 6.140 1.00 0.00 H new ATOM 0 HA PHE A 707 4.034 0.541 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 707 2.474 2.762 5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.023 1.079 5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 707 1.167 -0.213 7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 707 2.149 3.914 7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 707 -0.083 -0.119 9.455 1.00 0.00 H new ATOM 0 HE2 PHE A 707 0.894 4.011 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 707 -0.227 1.998 10.707 1.00 0.00 H new ATOM 791 N ALA A 708 3.995 -0.188 4.406 1.00 0.00 N ATOM 792 CA ALA A 708 4.453 -0.739 3.132 1.00 0.00 C ATOM 793 C ALA A 708 3.299 -1.351 2.336 1.00 0.00 C ATOM 794 O ALA A 708 2.642 -2.290 2.793 1.00 0.00 O ATOM 795 CB ALA A 708 5.544 -1.770 3.370 1.00 0.00 C ATOM 0 H ALA A 708 3.229 -0.706 4.837 1.00 0.00 H new ATOM 0 HA ALA A 708 4.861 0.080 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 708 5.878 -2.174 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 708 6.385 -1.299 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 708 5.153 -2.578 3.988 1.00 0.00 H new ATOM 801 N ILE A 709 3.062 -0.810 1.140 1.00 0.00 N ATOM 802 CA ILE A 709 1.990 -1.289 0.266 1.00 0.00 C ATOM 803 C ILE A 709 2.493 -2.369 -0.700 1.00 0.00 C ATOM 804 O ILE A 709 3.686 -2.442 -0.996 1.00 0.00 O ATOM 805 CB ILE A 709 1.385 -0.120 -0.548 1.00 0.00 C ATOM 806 CG1 ILE A 709 1.036 1.054 0.375 1.00 0.00 C ATOM 807 CG2 ILE A 709 0.153 -0.577 -1.319 1.00 0.00 C ATOM 808 CD1 ILE A 709 1.406 2.406 -0.199 1.00 0.00 C ATOM 0 H ILE A 709 3.601 -0.036 0.753 1.00 0.00 H new ATOM 0 HA ILE A 709 1.222 -1.723 0.907 1.00 0.00 H new ATOM 0 HB ILE A 709 2.132 0.215 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 709 -0.034 1.037 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 709 1.548 0.921 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 709 -0.255 0.262 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 709 0.430 -1.377 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 709 -0.599 -0.943 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 709 1.130 3.189 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 709 2.480 2.443 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 709 0.874 2.561 -1.138 1.00 0.00 H new ATOM 820 N SER A 710 1.573 -3.210 -1.182 1.00 0.00 N ATOM 821 CA SER A 710 1.915 -4.289 -2.112 1.00 0.00 C ATOM 822 C SER A 710 0.756 -4.574 -3.074 1.00 0.00 C ATOM 823 O SER A 710 -0.404 -4.614 -2.661 1.00 0.00 O ATOM 824 CB SER A 710 2.272 -5.559 -1.334 1.00 0.00 C ATOM 825 OG SER A 710 2.531 -6.646 -2.207 1.00 0.00 O ATOM 0 H SER A 710 0.583 -3.163 -0.942 1.00 0.00 H new ATOM 0 HA SER A 710 2.777 -3.972 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 710 3.148 -5.373 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 710 1.454 -5.817 -0.662 1.00 0.00 H new ATOM 0 HG SER A 710 3.010 -6.323 -2.998 1.00 0.00 H new ATOM 831 N ILE A 711 1.078 -4.770 -4.359 1.00 0.00 N ATOM 832 CA ILE A 711 0.059 -5.048 -5.375 1.00 0.00 C ATOM 833 C ILE A 711 0.556 -6.055 -6.420 1.00 0.00 C ATOM 834 O ILE A 711 1.741 -6.084 -6.757 1.00 0.00 O ATOM 835 CB ILE A 711 -0.394 -3.749 -6.083 1.00 0.00 C ATOM 836 CG1 ILE A 711 -1.556 -4.038 -7.042 1.00 0.00 C ATOM 837 CG2 ILE A 711 0.772 -3.106 -6.824 1.00 0.00 C ATOM 838 CD1 ILE A 711 -2.482 -2.858 -7.241 1.00 0.00 C ATOM 0 H ILE A 711 2.033 -4.741 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 711 -0.792 -5.485 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 711 -0.742 -3.047 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 711 -1.152 -4.340 -8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 711 -2.131 -4.881 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 711 0.433 -2.194 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 711 1.564 -2.863 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 711 1.155 -3.800 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 711 -3.280 -3.134 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 711 -2.914 -2.569 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 711 -1.920 -2.020 -7.653 1.00 0.00 H new ATOM 850 N LYS A 712 -0.366 -6.879 -6.928 1.00 0.00 N ATOM 851 CA LYS A 712 -0.042 -7.894 -7.933 1.00 0.00 C ATOM 852 C LYS A 712 -0.451 -7.431 -9.339 1.00 0.00 C ATOM 853 O LYS A 712 -1.625 -7.161 -9.592 1.00 0.00 O ATOM 854 CB LYS A 712 -0.753 -9.210 -7.587 1.00 0.00 C ATOM 855 CG LYS A 712 -0.468 -10.347 -8.560 1.00 0.00 C ATOM 856 CD LYS A 712 1.021 -10.638 -8.670 1.00 0.00 C ATOM 857 CE LYS A 712 1.279 -12.045 -9.190 1.00 0.00 C ATOM 858 NZ LYS A 712 1.587 -13.006 -8.091 1.00 0.00 N ATOM 0 H LYS A 712 -1.349 -6.861 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 712 1.037 -8.050 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -0.453 -9.520 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -1.828 -9.033 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -0.990 -11.246 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -0.862 -10.091 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 712 1.486 -9.912 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 712 1.489 -10.519 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 712 0.405 -12.393 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 712 2.110 -12.023 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 1.312 -13.966 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 2.607 -12.985 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 1.058 -12.738 -7.237 1.00 0.00 H new ATOM 872 N PHE A 713 0.523 -7.348 -10.251 1.00 0.00 N ATOM 873 CA PHE A 713 0.255 -6.924 -11.627 1.00 0.00 C ATOM 874 C PHE A 713 1.254 -7.558 -12.600 1.00 0.00 C ATOM 875 O PHE A 713 2.359 -7.934 -12.204 1.00 0.00 O ATOM 876 CB PHE A 713 0.300 -5.396 -11.729 1.00 0.00 C ATOM 877 CG PHE A 713 -0.127 -4.859 -13.069 1.00 0.00 C ATOM 878 CD1 PHE A 713 -1.388 -5.138 -13.573 1.00 0.00 C ATOM 879 CD2 PHE A 713 0.731 -4.074 -13.820 1.00 0.00 C ATOM 880 CE1 PHE A 713 -1.783 -4.642 -14.802 1.00 0.00 C ATOM 881 CE2 PHE A 713 0.343 -3.577 -15.050 1.00 0.00 C ATOM 882 CZ PHE A 713 -0.916 -3.860 -15.540 1.00 0.00 C ATOM 0 H PHE A 713 1.501 -7.568 -10.061 1.00 0.00 H new ATOM 0 HA PHE A 713 -0.744 -7.264 -11.902 1.00 0.00 H new ATOM 0 HB2 PHE A 713 -0.342 -4.972 -10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 713 1.315 -5.058 -11.520 1.00 0.00 H new ATOM 0 HD1 PHE A 713 -2.069 -5.749 -13.000 1.00 0.00 H new ATOM 0 HD2 PHE A 713 1.716 -3.847 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 713 -2.768 -4.866 -15.184 1.00 0.00 H new ATOM 0 HE2 PHE A 713 1.024 -2.968 -15.627 1.00 0.00 H new ATOM 0 HZ PHE A 713 -1.223 -3.470 -16.499 1.00 0.00 H new ATOM 892 N ASN A 714 0.841 -7.687 -13.869 1.00 0.00 N ATOM 893 CA ASN A 714 1.668 -8.298 -14.917 1.00 0.00 C ATOM 894 C ASN A 714 2.279 -9.616 -14.437 1.00 0.00 C ATOM 895 O ASN A 714 3.419 -9.950 -14.770 1.00 0.00 O ATOM 896 CB ASN A 714 2.756 -7.328 -15.418 1.00 0.00 C ATOM 897 CG ASN A 714 3.783 -6.958 -14.359 1.00 0.00 C ATOM 898 OD1 ASN A 714 4.515 -7.811 -13.859 1.00 0.00 O ATOM 899 ND2 ASN A 714 3.845 -5.674 -14.019 1.00 0.00 N ATOM 0 H ASN A 714 -0.072 -7.372 -14.196 1.00 0.00 H new ATOM 0 HA ASN A 714 1.016 -8.519 -15.762 1.00 0.00 H new ATOM 0 HB2 ASN A 714 3.270 -7.780 -16.267 1.00 0.00 H new ATOM 0 HB3 ASN A 714 2.279 -6.418 -15.782 1.00 0.00 H new ATOM 0 HD21 ASN A 714 4.519 -5.364 -13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 714 3.219 -4.999 -14.459 1.00 0.00 H new ATOM 906 N ASP A 715 1.496 -10.366 -13.658 1.00 0.00 N ATOM 907 CA ASP A 715 1.924 -11.657 -13.125 1.00 0.00 C ATOM 908 C ASP A 715 3.189 -11.526 -12.271 1.00 0.00 C ATOM 909 O ASP A 715 4.096 -12.355 -12.353 1.00 0.00 O ATOM 910 CB ASP A 715 2.143 -12.646 -14.273 1.00 0.00 C ATOM 911 CG ASP A 715 0.835 -13.204 -14.804 1.00 0.00 C ATOM 912 OD1 ASP A 715 0.018 -12.414 -15.327 1.00 0.00 O ATOM 913 OD2 ASP A 715 0.622 -14.429 -14.691 1.00 0.00 O ATOM 0 H ASP A 715 0.552 -10.095 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 715 1.135 -12.034 -12.474 1.00 0.00 H new ATOM 0 HB2 ASP A 715 2.679 -12.149 -15.081 1.00 0.00 H new ATOM 0 HB3 ASP A 715 2.773 -13.466 -13.929 1.00 0.00 H new ATOM 918 N GLU A 716 3.235 -10.481 -11.445 1.00 0.00 N ATOM 919 CA GLU A 716 4.379 -10.242 -10.571 1.00 0.00 C ATOM 920 C GLU A 716 3.973 -9.407 -9.356 1.00 0.00 C ATOM 921 O GLU A 716 3.212 -8.444 -9.481 1.00 0.00 O ATOM 922 CB GLU A 716 5.495 -9.537 -11.349 1.00 0.00 C ATOM 923 CG GLU A 716 6.820 -9.463 -10.604 1.00 0.00 C ATOM 924 CD GLU A 716 7.746 -10.619 -10.934 1.00 0.00 C ATOM 925 OE1 GLU A 716 7.362 -11.781 -10.682 1.00 0.00 O ATOM 926 OE2 GLU A 716 8.858 -10.361 -11.442 1.00 0.00 O ATOM 0 H GLU A 716 2.492 -9.787 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 716 4.746 -11.204 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 716 5.650 -10.058 -12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 716 5.170 -8.525 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 716 7.317 -8.524 -10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 716 6.628 -9.452 -9.531 1.00 0.00 H new ATOM 933 N VAL A 717 4.486 -9.778 -8.181 1.00 0.00 N ATOM 934 CA VAL A 717 4.175 -9.056 -6.947 1.00 0.00 C ATOM 935 C VAL A 717 5.062 -7.820 -6.803 1.00 0.00 C ATOM 936 O VAL A 717 6.278 -7.897 -6.988 1.00 0.00 O ATOM 937 CB VAL A 717 4.353 -9.944 -5.692 1.00 0.00 C ATOM 938 CG1 VAL A 717 3.917 -9.189 -4.442 1.00 0.00 C ATOM 939 CG2 VAL A 717 3.578 -11.249 -5.827 1.00 0.00 C ATOM 0 H VAL A 717 5.116 -10.571 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 717 3.129 -8.758 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 717 5.411 -10.191 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 717 4.048 -9.827 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 717 4.523 -8.290 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 717 2.867 -8.910 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 717 3.722 -11.852 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 717 2.517 -11.031 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 717 3.940 -11.799 -6.696 1.00 0.00 H new ATOM 949 N LYS A 718 4.451 -6.683 -6.469 1.00 0.00 N ATOM 950 CA LYS A 718 5.192 -5.435 -6.295 1.00 0.00 C ATOM 951 C LYS A 718 4.941 -4.834 -4.915 1.00 0.00 C ATOM 952 O LYS A 718 3.955 -5.165 -4.253 1.00 0.00 O ATOM 953 CB LYS A 718 4.814 -4.426 -7.383 1.00 0.00 C ATOM 954 CG LYS A 718 5.727 -4.476 -8.599 1.00 0.00 C ATOM 955 CD LYS A 718 5.403 -5.662 -9.496 1.00 0.00 C ATOM 956 CE LYS A 718 4.652 -5.229 -10.744 1.00 0.00 C ATOM 957 NZ LYS A 718 3.393 -4.502 -10.415 1.00 0.00 N ATOM 0 H LYS A 718 3.446 -6.601 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 718 6.254 -5.665 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 718 3.788 -4.613 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 718 4.839 -3.421 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 718 5.627 -3.551 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 718 6.765 -4.539 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 718 6.326 -6.166 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 718 4.804 -6.385 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 718 5.293 -4.588 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 718 4.417 -6.105 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 2.973 -4.122 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 2.722 -5.156 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 3.604 -3.720 -9.763 1.00 0.00 H new ATOM 971 N HIS A 719 5.845 -3.950 -4.487 1.00 0.00 N ATOM 972 CA HIS A 719 5.727 -3.301 -3.184 1.00 0.00 C ATOM 973 C HIS A 719 6.064 -1.813 -3.281 1.00 0.00 C ATOM 974 O HIS A 719 6.923 -1.415 -4.066 1.00 0.00 O ATOM 975 CB HIS A 719 6.646 -3.973 -2.158 1.00 0.00 C ATOM 976 CG HIS A 719 6.502 -5.462 -2.105 1.00 0.00 C ATOM 977 ND1 HIS A 719 5.892 -6.129 -1.064 1.00 0.00 N ATOM 978 CD2 HIS A 719 6.896 -6.414 -2.979 1.00 0.00 C ATOM 979 CE1 HIS A 719 5.920 -7.428 -1.300 1.00 0.00 C ATOM 980 NE2 HIS A 719 6.525 -7.628 -2.457 1.00 0.00 N ATOM 0 H HIS A 719 6.665 -3.669 -5.025 1.00 0.00 H new ATOM 0 HA HIS A 719 4.693 -3.405 -2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 719 7.681 -3.725 -2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 719 6.436 -3.561 -1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 719 7.408 -6.250 -3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 719 5.517 -8.196 -0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 719 6.690 -8.536 -2.891 1.00 0.00 H new ATOM 989 N ILE A 720 5.383 -0.995 -2.477 1.00 0.00 N ATOM 990 CA ILE A 720 5.613 0.450 -2.472 1.00 0.00 C ATOM 991 C ILE A 720 5.881 0.957 -1.053 1.00 0.00 C ATOM 992 O ILE A 720 5.004 0.900 -0.189 1.00 0.00 O ATOM 993 CB ILE A 720 4.406 1.216 -3.061 1.00 0.00 C ATOM 994 CG1 ILE A 720 4.006 0.636 -4.421 1.00 0.00 C ATOM 995 CG2 ILE A 720 4.729 2.701 -3.192 1.00 0.00 C ATOM 996 CD1 ILE A 720 2.570 0.926 -4.804 1.00 0.00 C ATOM 0 H ILE A 720 4.668 -1.309 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 720 6.488 0.635 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 720 3.564 1.101 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 720 4.667 1.040 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 720 4.159 -0.443 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 720 3.869 3.225 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 720 4.963 3.111 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 720 5.587 2.830 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 720 2.357 0.485 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 720 1.901 0.498 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 720 2.417 2.004 -4.852 1.00 0.00 H new ATOM 1008 N LYS A 721 7.097 1.455 -0.820 1.00 0.00 N ATOM 1009 CA LYS A 721 7.479 1.975 0.495 1.00 0.00 C ATOM 1010 C LYS A 721 6.728 3.269 0.817 1.00 0.00 C ATOM 1011 O LYS A 721 6.470 4.085 -0.071 1.00 0.00 O ATOM 1012 CB LYS A 721 8.991 2.228 0.558 1.00 0.00 C ATOM 1013 CG LYS A 721 9.836 0.995 0.274 1.00 0.00 C ATOM 1014 CD LYS A 721 11.277 1.185 0.731 1.00 0.00 C ATOM 1015 CE LYS A 721 12.190 1.545 -0.434 1.00 0.00 C ATOM 1016 NZ LYS A 721 12.634 2.968 -0.381 1.00 0.00 N ATOM 0 H LYS A 721 7.833 1.509 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 721 7.211 1.223 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 721 9.249 3.006 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 721 9.244 2.610 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 721 9.404 0.132 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 721 9.818 0.779 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 721 11.320 1.971 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 721 11.633 0.270 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 721 13.063 0.893 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 721 11.667 1.364 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 13.253 3.169 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 11.803 3.592 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 13.156 3.136 0.503 1.00 0.00 H new ATOM 1030 N VAL A 722 6.381 3.448 2.093 1.00 0.00 N ATOM 1031 CA VAL A 722 5.658 4.640 2.536 1.00 0.00 C ATOM 1032 C VAL A 722 6.541 5.527 3.416 1.00 0.00 C ATOM 1033 O VAL A 722 7.059 5.080 4.442 1.00 0.00 O ATOM 1034 CB VAL A 722 4.382 4.268 3.321 1.00 0.00 C ATOM 1035 CG1 VAL A 722 3.552 5.510 3.616 1.00 0.00 C ATOM 1036 CG2 VAL A 722 3.560 3.238 2.558 1.00 0.00 C ATOM 0 H VAL A 722 6.589 2.782 2.837 1.00 0.00 H new ATOM 0 HA VAL A 722 5.376 5.188 1.637 1.00 0.00 H new ATOM 0 HB VAL A 722 4.683 3.825 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 722 2.657 5.226 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 722 4.141 6.208 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 722 3.263 5.986 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 722 2.666 2.990 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 722 3.270 3.648 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 722 4.155 2.337 2.407 1.00 0.00 H new ATOM 1046 N VAL A 723 6.703 6.786 3.005 1.00 0.00 N ATOM 1047 CA VAL A 723 7.518 7.745 3.746 1.00 0.00 C ATOM 1048 C VAL A 723 6.654 8.855 4.346 1.00 0.00 C ATOM 1049 O VAL A 723 5.998 9.604 3.619 1.00 0.00 O ATOM 1050 CB VAL A 723 8.597 8.384 2.846 1.00 0.00 C ATOM 1051 CG1 VAL A 723 9.559 9.228 3.673 1.00 0.00 C ATOM 1052 CG2 VAL A 723 9.350 7.317 2.064 1.00 0.00 C ATOM 0 H VAL A 723 6.278 7.165 2.159 1.00 0.00 H new ATOM 0 HA VAL A 723 8.005 7.190 4.548 1.00 0.00 H new ATOM 0 HB VAL A 723 8.099 9.039 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 723 10.311 9.669 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 723 9.006 10.021 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 723 10.049 8.599 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 723 10.105 7.791 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 723 9.834 6.630 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 723 8.651 6.765 1.436 1.00 0.00 H new ATOM 1062 N GLU A 724 6.663 8.957 5.675 1.00 0.00 N ATOM 1063 CA GLU A 724 5.889 9.977 6.379 1.00 0.00 C ATOM 1064 C GLU A 724 6.810 11.015 7.018 1.00 0.00 C ATOM 1065 O GLU A 724 7.524 10.718 7.980 1.00 0.00 O ATOM 1066 CB GLU A 724 5.008 9.328 7.448 1.00 0.00 C ATOM 1067 CG GLU A 724 3.791 10.158 7.825 1.00 0.00 C ATOM 1068 CD GLU A 724 3.287 9.845 9.221 1.00 0.00 C ATOM 1069 OE1 GLU A 724 4.068 10.005 10.184 1.00 0.00 O ATOM 1070 OE2 GLU A 724 2.115 9.434 9.350 1.00 0.00 O ATOM 0 H GLU A 724 7.200 8.343 6.287 1.00 0.00 H new ATOM 0 HA GLU A 724 5.253 10.483 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 724 4.675 8.354 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 724 5.607 9.151 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 724 4.043 11.217 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 724 2.993 9.976 7.105 1.00 0.00 H new ATOM 1077 N LYS A 725 6.790 12.230 6.476 1.00 0.00 N ATOM 1078 CA LYS A 725 7.620 13.320 6.985 1.00 0.00 C ATOM 1079 C LYS A 725 6.856 14.643 6.970 1.00 0.00 C ATOM 1080 O LYS A 725 5.906 14.809 6.201 1.00 0.00 O ATOM 1081 CB LYS A 725 8.898 13.441 6.147 1.00 0.00 C ATOM 1082 CG LYS A 725 10.177 13.424 6.971 1.00 0.00 C ATOM 1083 CD LYS A 725 10.937 12.114 6.808 1.00 0.00 C ATOM 1084 CE LYS A 725 11.670 11.730 8.087 1.00 0.00 C ATOM 1085 NZ LYS A 725 12.885 10.905 7.821 1.00 0.00 N ATOM 0 H LYS A 725 6.205 12.486 5.680 1.00 0.00 H new ATOM 0 HA LYS A 725 7.887 13.093 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 725 8.929 12.622 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 725 8.859 14.367 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 725 10.815 14.255 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 725 9.934 13.575 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 725 10.242 11.321 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 725 11.653 12.207 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 725 11.958 12.634 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 725 10.993 11.176 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 13.349 10.669 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 12.610 10.029 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 13.545 11.441 7.222 1.00 0.00 H new ATOM 1099 N ASP A 726 7.275 15.577 7.826 1.00 0.00 N ATOM 1100 CA ASP A 726 6.633 16.892 7.924 1.00 0.00 C ATOM 1101 C ASP A 726 5.153 16.757 8.290 1.00 0.00 C ATOM 1102 O ASP A 726 4.327 17.579 7.887 1.00 0.00 O ATOM 1103 CB ASP A 726 6.777 17.663 6.604 1.00 0.00 C ATOM 1104 CG ASP A 726 7.802 18.780 6.686 1.00 0.00 C ATOM 1105 OD1 ASP A 726 7.846 19.475 7.723 1.00 0.00 O ATOM 1106 OD2 ASP A 726 8.560 18.959 5.711 1.00 0.00 O ATOM 0 H ASP A 726 8.060 15.447 8.465 1.00 0.00 H new ATOM 0 HA ASP A 726 7.135 17.448 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.063 16.970 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 726 5.810 18.082 6.326 1.00 0.00 H new ATOM 1111 N ASN A 727 4.823 15.713 9.056 1.00 0.00 N ATOM 1112 CA ASN A 727 3.446 15.463 9.473 1.00 0.00 C ATOM 1113 C ASN A 727 2.557 15.106 8.271 1.00 0.00 C ATOM 1114 O ASN A 727 1.342 15.300 8.310 1.00 0.00 O ATOM 1115 CB ASN A 727 2.883 16.688 10.208 1.00 0.00 C ATOM 1116 CG ASN A 727 1.752 16.331 11.155 1.00 0.00 C ATOM 1117 OD1 ASN A 727 1.222 15.222 11.119 1.00 0.00 O ATOM 1118 ND2 ASN A 727 1.376 17.274 12.014 1.00 0.00 N ATOM 0 H ASN A 727 5.495 15.027 9.399 1.00 0.00 H new ATOM 0 HA ASN A 727 3.448 14.612 10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 727 3.683 17.170 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 727 2.525 17.413 9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 727 0.622 17.090 12.676 1.00 0.00 H new ATOM 0 HD22 ASN A 727 1.842 18.181 12.011 1.00 0.00 H new ATOM 1125 N TRP A 728 3.176 14.577 7.208 1.00 0.00 N ATOM 1126 CA TRP A 728 2.443 14.192 6.000 1.00 0.00 C ATOM 1127 C TRP A 728 2.886 12.815 5.503 1.00 0.00 C ATOM 1128 O TRP A 728 4.047 12.434 5.660 1.00 0.00 O ATOM 1129 CB TRP A 728 2.651 15.227 4.888 1.00 0.00 C ATOM 1130 CG TRP A 728 2.298 16.628 5.288 1.00 0.00 C ATOM 1131 CD1 TRP A 728 3.111 17.727 5.239 1.00 0.00 C ATOM 1132 CD2 TRP A 728 1.039 17.083 5.794 1.00 0.00 C ATOM 1133 NE1 TRP A 728 2.433 18.835 5.688 1.00 0.00 N ATOM 1134 CE2 TRP A 728 1.159 18.465 6.035 1.00 0.00 C ATOM 1135 CE3 TRP A 728 -0.178 16.455 6.070 1.00 0.00 C ATOM 1136 CZ2 TRP A 728 0.106 19.228 6.534 1.00 0.00 C ATOM 1137 CZ3 TRP A 728 -1.221 17.213 6.566 1.00 0.00 C ATOM 1138 CH2 TRP A 728 -1.074 18.586 6.795 1.00 0.00 C ATOM 0 H TRP A 728 4.181 14.407 7.162 1.00 0.00 H new ATOM 0 HA TRP A 728 1.385 14.149 6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 728 3.694 15.202 4.572 1.00 0.00 H new ATOM 0 HB3 TRP A 728 2.049 14.944 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 728 4.136 17.724 4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 728 2.815 19.779 5.753 1.00 0.00 H new ATOM 0 HE3 TRP A 728 -0.301 15.396 5.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 728 0.217 20.288 6.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 728 -2.167 16.738 6.781 1.00 0.00 H new ATOM 0 HH2 TRP A 728 -1.908 19.150 7.185 1.00 0.00 H new ATOM 1149 N ILE A 729 1.955 12.078 4.896 1.00 0.00 N ATOM 1150 CA ILE A 729 2.242 10.744 4.367 1.00 0.00 C ATOM 1151 C ILE A 729 2.207 10.730 2.835 1.00 0.00 C ATOM 1152 O ILE A 729 1.384 11.408 2.217 1.00 0.00 O ATOM 1153 CB ILE A 729 1.240 9.696 4.905 1.00 0.00 C ATOM 1154 CG1 ILE A 729 1.668 8.281 4.501 1.00 0.00 C ATOM 1155 CG2 ILE A 729 -0.168 9.991 4.405 1.00 0.00 C ATOM 1156 CD1 ILE A 729 0.985 7.189 5.296 1.00 0.00 C ATOM 0 H ILE A 729 0.992 12.384 4.758 1.00 0.00 H new ATOM 0 HA ILE A 729 3.246 10.484 4.703 1.00 0.00 H new ATOM 0 HB ILE A 729 1.237 9.756 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 729 1.455 8.135 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 729 2.747 8.188 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 729 -0.857 9.242 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 729 -0.476 10.980 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 729 -0.181 9.963 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 729 1.337 6.216 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 729 1.218 7.309 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 729 -0.094 7.255 5.153 1.00 0.00 H new ATOM 1168 N HIS A 730 3.103 9.946 2.230 1.00 0.00 N ATOM 1169 CA HIS A 730 3.170 9.835 0.770 1.00 0.00 C ATOM 1170 C HIS A 730 4.146 8.740 0.341 1.00 0.00 C ATOM 1171 O HIS A 730 5.146 8.486 1.016 1.00 0.00 O ATOM 1172 CB HIS A 730 3.590 11.171 0.138 1.00 0.00 C ATOM 1173 CG HIS A 730 4.814 11.781 0.756 1.00 0.00 C ATOM 1174 ND1 HIS A 730 6.081 11.258 0.598 1.00 0.00 N ATOM 1175 CD2 HIS A 730 4.958 12.887 1.524 1.00 0.00 C ATOM 1176 CE1 HIS A 730 6.950 12.014 1.244 1.00 0.00 C ATOM 1177 NE2 HIS A 730 6.294 13.009 1.813 1.00 0.00 N ATOM 0 H HIS A 730 3.791 9.380 2.727 1.00 0.00 H new ATOM 0 HA HIS A 730 2.172 9.571 0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 730 3.771 11.017 -0.926 1.00 0.00 H new ATOM 0 HB3 HIS A 730 2.763 11.876 0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 730 4.169 13.549 1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 730 8.016 11.847 1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 730 6.713 13.749 2.376 1.00 0.00 H new ATOM 1186 N ILE A 731 3.854 8.104 -0.793 1.00 0.00 N ATOM 1187 CA ILE A 731 4.710 7.044 -1.324 1.00 0.00 C ATOM 1188 C ILE A 731 5.732 7.603 -2.317 1.00 0.00 C ATOM 1189 O ILE A 731 6.822 7.049 -2.473 1.00 0.00 O ATOM 1190 CB ILE A 731 3.892 5.926 -2.013 1.00 0.00 C ATOM 1191 CG1 ILE A 731 3.002 6.497 -3.126 1.00 0.00 C ATOM 1192 CG2 ILE A 731 3.054 5.172 -0.989 1.00 0.00 C ATOM 1193 CD1 ILE A 731 2.423 5.439 -4.040 1.00 0.00 C ATOM 0 H ILE A 731 3.031 8.304 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 731 5.232 6.614 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 731 4.593 5.228 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 731 2.186 7.061 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 731 3.585 7.200 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 731 2.485 4.389 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 731 3.709 4.723 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 731 2.368 5.864 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 731 1.805 5.915 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 731 3.233 4.890 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 731 1.813 4.749 -3.457 1.00 0.00 H new ATOM 1205 N THR A 732 5.373 8.703 -2.982 1.00 0.00 N ATOM 1206 CA THR A 732 6.254 9.342 -3.956 1.00 0.00 C ATOM 1207 C THR A 732 6.762 10.683 -3.422 1.00 0.00 C ATOM 1208 O THR A 732 6.564 11.007 -2.249 1.00 0.00 O ATOM 1209 CB THR A 732 5.510 9.543 -5.285 1.00 0.00 C ATOM 1210 OG1 THR A 732 4.541 10.572 -5.171 1.00 0.00 O ATOM 1211 CG2 THR A 732 4.800 8.297 -5.776 1.00 0.00 C ATOM 0 H THR A 732 4.474 9.170 -2.861 1.00 0.00 H new ATOM 0 HA THR A 732 7.113 8.694 -4.128 1.00 0.00 H new ATOM 0 HB THR A 732 6.284 9.806 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 732 4.081 10.684 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 732 4.296 8.513 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 732 5.527 7.500 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 732 4.065 7.982 -5.036 1.00 0.00 H new ATOM 1219 N GLU A 733 7.412 11.461 -4.288 1.00 0.00 N ATOM 1220 CA GLU A 733 7.939 12.766 -3.903 1.00 0.00 C ATOM 1221 C GLU A 733 7.325 13.867 -4.765 1.00 0.00 C ATOM 1222 O GLU A 733 8.034 14.687 -5.352 1.00 0.00 O ATOM 1223 CB GLU A 733 9.466 12.782 -4.025 1.00 0.00 C ATOM 1224 CG GLU A 733 10.180 12.243 -2.794 1.00 0.00 C ATOM 1225 CD GLU A 733 10.115 10.730 -2.695 1.00 0.00 C ATOM 1226 OE1 GLU A 733 10.484 10.053 -3.676 1.00 0.00 O ATOM 1227 OE2 GLU A 733 9.692 10.224 -1.634 1.00 0.00 O ATOM 0 H GLU A 733 7.585 11.208 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 733 7.671 12.953 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 733 9.759 12.191 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 733 9.797 13.804 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 733 11.224 12.557 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 733 9.736 12.681 -1.900 1.00 0.00 H new ATOM 1234 N ALA A 734 5.996 13.878 -4.834 1.00 0.00 N ATOM 1235 CA ALA A 734 5.277 14.875 -5.618 1.00 0.00 C ATOM 1236 C ALA A 734 4.183 15.546 -4.790 1.00 0.00 C ATOM 1237 O ALA A 734 4.172 16.768 -4.639 1.00 0.00 O ATOM 1238 CB ALA A 734 4.688 14.239 -6.871 1.00 0.00 C ATOM 0 H ALA A 734 5.396 13.206 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 734 5.987 15.646 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 734 4.154 14.995 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 734 5.491 13.821 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 734 3.997 13.445 -6.586 1.00 0.00 H new ATOM 1244 N LYS A 735 3.265 14.740 -4.256 1.00 0.00 N ATOM 1245 CA LYS A 735 2.164 15.257 -3.442 1.00 0.00 C ATOM 1246 C LYS A 735 2.218 14.695 -2.020 1.00 0.00 C ATOM 1247 O LYS A 735 2.824 13.650 -1.776 1.00 0.00 O ATOM 1248 CB LYS A 735 0.817 14.912 -4.084 1.00 0.00 C ATOM 1249 CG LYS A 735 0.614 15.518 -5.467 1.00 0.00 C ATOM 1250 CD LYS A 735 -0.078 16.873 -5.398 1.00 0.00 C ATOM 1251 CE LYS A 735 -1.572 16.757 -5.664 1.00 0.00 C ATOM 1252 NZ LYS A 735 -2.346 17.855 -5.015 1.00 0.00 N ATOM 0 H LYS A 735 3.262 13.727 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 735 2.269 16.341 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 735 0.729 13.828 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 735 0.016 15.253 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.580 15.628 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 735 0.020 14.838 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 735 0.083 17.314 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 735 0.370 17.548 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -1.751 16.775 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -1.931 15.795 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -3.358 17.736 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -2.198 17.823 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -2.023 18.772 -5.383 1.00 0.00 H new ATOM 1266 N LYS A 736 1.574 15.398 -1.088 1.00 0.00 N ATOM 1267 CA LYS A 736 1.537 14.976 0.311 1.00 0.00 C ATOM 1268 C LYS A 736 0.101 14.701 0.762 1.00 0.00 C ATOM 1269 O LYS A 736 -0.838 15.363 0.315 1.00 0.00 O ATOM 1270 CB LYS A 736 2.171 16.042 1.212 1.00 0.00 C ATOM 1271 CG LYS A 736 3.641 16.308 0.914 1.00 0.00 C ATOM 1272 CD LYS A 736 4.074 17.683 1.398 1.00 0.00 C ATOM 1273 CE LYS A 736 5.025 18.357 0.418 1.00 0.00 C ATOM 1274 NZ LYS A 736 4.823 19.834 0.368 1.00 0.00 N ATOM 0 H LYS A 736 1.070 16.264 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 736 2.110 14.053 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 736 1.614 16.973 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 736 2.072 15.730 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 736 4.253 15.544 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.815 16.229 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 736 3.195 18.311 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 736 4.560 17.590 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 736 6.054 18.142 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 736 4.877 17.937 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 5.490 20.253 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 3.849 20.041 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 4.989 20.239 1.311 1.00 0.00 H new ATOM 1288 N PHE A 737 -0.057 13.716 1.649 1.00 0.00 N ATOM 1289 CA PHE A 737 -1.375 13.338 2.169 1.00 0.00 C ATOM 1290 C PHE A 737 -1.421 13.454 3.693 1.00 0.00 C ATOM 1291 O PHE A 737 -0.390 13.378 4.361 1.00 0.00 O ATOM 1292 CB PHE A 737 -1.725 11.906 1.745 1.00 0.00 C ATOM 1293 CG PHE A 737 -1.728 11.699 0.256 1.00 0.00 C ATOM 1294 CD1 PHE A 737 -2.640 12.364 -0.548 1.00 0.00 C ATOM 1295 CD2 PHE A 737 -0.816 10.843 -0.339 1.00 0.00 C ATOM 1296 CE1 PHE A 737 -2.641 12.181 -1.918 1.00 0.00 C ATOM 1297 CE2 PHE A 737 -0.812 10.654 -1.707 1.00 0.00 C ATOM 1298 CZ PHE A 737 -1.725 11.323 -2.498 1.00 0.00 C ATOM 0 H PHE A 737 0.714 13.163 2.024 1.00 0.00 H new ATOM 0 HA PHE A 737 -2.109 14.026 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 737 -1.010 11.218 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 737 -2.708 11.650 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 737 -3.359 13.033 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 737 -0.099 10.317 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 737 -3.356 12.707 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 737 -0.095 9.983 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 737 -1.724 11.176 -3.568 1.00 0.00 H new ATOM 1308 N ASP A 738 -2.626 13.630 4.237 1.00 0.00 N ATOM 1309 CA ASP A 738 -2.806 13.744 5.687 1.00 0.00 C ATOM 1310 C ASP A 738 -2.820 12.366 6.359 1.00 0.00 C ATOM 1311 O ASP A 738 -2.584 12.257 7.565 1.00 0.00 O ATOM 1312 CB ASP A 738 -4.098 14.512 6.024 1.00 0.00 C ATOM 1313 CG ASP A 738 -5.323 14.025 5.259 1.00 0.00 C ATOM 1314 OD1 ASP A 738 -5.362 12.841 4.868 1.00 0.00 O ATOM 1315 OD2 ASP A 738 -6.249 14.837 5.061 1.00 0.00 O ATOM 0 H ASP A 738 -3.490 13.697 3.699 1.00 0.00 H new ATOM 0 HA ASP A 738 -1.956 14.304 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -4.292 14.426 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -3.946 15.570 5.811 1.00 0.00 H new ATOM 1320 N SER A 739 -3.098 11.318 5.580 1.00 0.00 N ATOM 1321 CA SER A 739 -3.140 9.956 6.108 1.00 0.00 C ATOM 1322 C SER A 739 -3.175 8.933 4.974 1.00 0.00 C ATOM 1323 O SER A 739 -3.390 9.291 3.814 1.00 0.00 O ATOM 1324 CB SER A 739 -4.358 9.768 7.016 1.00 0.00 C ATOM 1325 OG SER A 739 -4.017 9.038 8.182 1.00 0.00 O ATOM 0 H SER A 739 -3.297 11.388 4.582 1.00 0.00 H new ATOM 0 HA SER A 739 -2.234 9.796 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 739 -4.760 10.742 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 739 -5.144 9.244 6.472 1.00 0.00 H new ATOM 0 HG SER A 739 -4.685 8.337 8.336 1.00 0.00 H new ATOM 1331 N LEU A 740 -2.965 7.660 5.317 1.00 0.00 N ATOM 1332 CA LEU A 740 -2.979 6.583 4.326 1.00 0.00 C ATOM 1333 C LEU A 740 -4.322 6.526 3.598 1.00 0.00 C ATOM 1334 O LEU A 740 -4.374 6.239 2.402 1.00 0.00 O ATOM 1335 CB LEU A 740 -2.688 5.235 4.996 1.00 0.00 C ATOM 1336 CG LEU A 740 -2.362 4.085 4.033 1.00 0.00 C ATOM 1337 CD1 LEU A 740 -0.900 4.130 3.608 1.00 0.00 C ATOM 1338 CD2 LEU A 740 -2.690 2.739 4.670 1.00 0.00 C ATOM 0 H LEU A 740 -2.784 7.351 6.272 1.00 0.00 H new ATOM 0 HA LEU A 740 -2.199 6.790 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 740 -1.851 5.362 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 740 -3.552 4.951 5.596 1.00 0.00 H new ATOM 0 HG LEU A 740 -2.980 4.206 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 740 -0.694 3.305 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 740 -0.696 5.076 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 740 -0.262 4.041 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 740 -2.451 1.938 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 740 -2.102 2.614 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 740 -3.751 2.702 4.916 1.00 0.00 H new ATOM 1350 N LEU A 741 -5.405 6.807 4.326 1.00 0.00 N ATOM 1351 CA LEU A 741 -6.748 6.796 3.746 1.00 0.00 C ATOM 1352 C LEU A 741 -6.805 7.671 2.493 1.00 0.00 C ATOM 1353 O LEU A 741 -7.327 7.252 1.459 1.00 0.00 O ATOM 1354 CB LEU A 741 -7.778 7.276 4.775 1.00 0.00 C ATOM 1355 CG LEU A 741 -9.003 6.372 4.938 1.00 0.00 C ATOM 1356 CD1 LEU A 741 -9.446 6.324 6.395 1.00 0.00 C ATOM 1357 CD2 LEU A 741 -10.143 6.848 4.046 1.00 0.00 C ATOM 0 H LEU A 741 -5.377 7.045 5.318 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.988 5.772 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -7.285 7.371 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -8.116 8.272 4.490 1.00 0.00 H new ATOM 0 HG LEU A 741 -8.726 5.363 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -10.318 5.676 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -8.635 5.932 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -9.703 7.329 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -11.004 6.193 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -10.417 7.867 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -9.824 6.825 3.004 1.00 0.00 H new ATOM 1369 N GLU A 742 -6.253 8.883 2.588 1.00 0.00 N ATOM 1370 CA GLU A 742 -6.232 9.804 1.455 1.00 0.00 C ATOM 1371 C GLU A 742 -5.429 9.212 0.299 1.00 0.00 C ATOM 1372 O GLU A 742 -5.879 9.221 -0.848 1.00 0.00 O ATOM 1373 CB GLU A 742 -5.645 11.159 1.864 1.00 0.00 C ATOM 1374 CG GLU A 742 -6.219 12.329 1.077 1.00 0.00 C ATOM 1375 CD GLU A 742 -6.866 13.376 1.964 1.00 0.00 C ATOM 1376 OE1 GLU A 742 -7.851 13.043 2.657 1.00 0.00 O ATOM 1377 OE2 GLU A 742 -6.388 14.531 1.962 1.00 0.00 O ATOM 0 H GLU A 742 -5.817 9.246 3.435 1.00 0.00 H new ATOM 0 HA GLU A 742 -7.260 9.958 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 742 -5.829 11.320 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 742 -4.564 11.134 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 742 -5.423 12.794 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 742 -6.957 11.956 0.367 1.00 0.00 H new ATOM 1384 N LEU A 743 -4.243 8.687 0.611 1.00 0.00 N ATOM 1385 CA LEU A 743 -3.380 8.078 -0.401 1.00 0.00 C ATOM 1386 C LEU A 743 -4.092 6.912 -1.091 1.00 0.00 C ATOM 1387 O LEU A 743 -4.045 6.788 -2.316 1.00 0.00 O ATOM 1388 CB LEU A 743 -2.068 7.592 0.233 1.00 0.00 C ATOM 1389 CG LEU A 743 -0.903 7.393 -0.744 1.00 0.00 C ATOM 1390 CD1 LEU A 743 0.427 7.669 -0.055 1.00 0.00 C ATOM 1391 CD2 LEU A 743 -0.922 5.986 -1.327 1.00 0.00 C ATOM 0 H LEU A 743 -3.859 8.672 1.556 1.00 0.00 H new ATOM 0 HA LEU A 743 -3.150 8.836 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 743 -1.764 8.310 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 743 -2.258 6.648 0.743 1.00 0.00 H new ATOM 0 HG LEU A 743 -1.020 8.103 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 743 1.242 7.523 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 743 0.442 8.697 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 743 0.550 6.986 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 743 -0.087 5.867 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 743 -0.834 5.257 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 743 -1.859 5.826 -1.860 1.00 0.00 H new ATOM 1403 N VAL A 744 -4.744 6.058 -0.300 1.00 0.00 N ATOM 1404 CA VAL A 744 -5.459 4.903 -0.841 1.00 0.00 C ATOM 1405 C VAL A 744 -6.614 5.336 -1.741 1.00 0.00 C ATOM 1406 O VAL A 744 -6.725 4.874 -2.875 1.00 0.00 O ATOM 1407 CB VAL A 744 -6.010 3.981 0.272 1.00 0.00 C ATOM 1408 CG1 VAL A 744 -6.672 2.752 -0.335 1.00 0.00 C ATOM 1409 CG2 VAL A 744 -4.904 3.576 1.236 1.00 0.00 C ATOM 0 H VAL A 744 -4.791 6.145 0.715 1.00 0.00 H new ATOM 0 HA VAL A 744 -4.729 4.344 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 744 -6.762 4.535 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 744 -7.054 2.114 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 744 -7.496 3.063 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 744 -5.941 2.198 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 744 -5.315 2.928 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 744 -4.125 3.042 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 744 -4.479 4.467 1.697 1.00 0.00 H new ATOM 1419 N GLU A 745 -7.474 6.218 -1.232 1.00 0.00 N ATOM 1420 CA GLU A 745 -8.620 6.700 -2.003 1.00 0.00 C ATOM 1421 C GLU A 745 -8.163 7.389 -3.288 1.00 0.00 C ATOM 1422 O GLU A 745 -8.757 7.190 -4.350 1.00 0.00 O ATOM 1423 CB GLU A 745 -9.478 7.653 -1.165 1.00 0.00 C ATOM 1424 CG GLU A 745 -10.398 6.936 -0.185 1.00 0.00 C ATOM 1425 CD GLU A 745 -11.800 7.516 -0.155 1.00 0.00 C ATOM 1426 OE1 GLU A 745 -12.385 7.724 -1.239 1.00 0.00 O ATOM 1427 OE2 GLU A 745 -12.318 7.755 0.956 1.00 0.00 O ATOM 0 H GLU A 745 -7.400 6.612 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 745 -9.227 5.836 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 745 -8.824 8.327 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 745 -10.080 8.270 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 745 -10.453 5.881 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 745 -9.967 6.989 0.815 1.00 0.00 H new ATOM 1434 N TYR A 746 -7.098 8.188 -3.195 1.00 0.00 N ATOM 1435 CA TYR A 746 -6.565 8.889 -4.362 1.00 0.00 C ATOM 1436 C TYR A 746 -6.071 7.892 -5.412 1.00 0.00 C ATOM 1437 O TYR A 746 -6.337 8.055 -6.604 1.00 0.00 O ATOM 1438 CB TYR A 746 -5.420 9.824 -3.958 1.00 0.00 C ATOM 1439 CG TYR A 746 -5.859 11.242 -3.646 1.00 0.00 C ATOM 1440 CD1 TYR A 746 -6.795 11.502 -2.651 1.00 0.00 C ATOM 1441 CD2 TYR A 746 -5.331 12.322 -4.344 1.00 0.00 C ATOM 1442 CE1 TYR A 746 -7.191 12.794 -2.361 1.00 0.00 C ATOM 1443 CE2 TYR A 746 -5.721 13.619 -4.059 1.00 0.00 C ATOM 1444 CZ TYR A 746 -6.651 13.848 -3.068 1.00 0.00 C ATOM 1445 OH TYR A 746 -7.040 15.139 -2.781 1.00 0.00 O ATOM 0 H TYR A 746 -6.591 8.364 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 746 -7.371 9.484 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 746 -4.918 9.410 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 746 -4.686 9.851 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 746 -7.220 10.680 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 746 -4.604 12.146 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 746 -7.919 12.977 -1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 746 -5.299 14.447 -4.610 1.00 0.00 H new ATOM 0 HH TYR A 746 -6.564 15.762 -3.369 1.00 0.00 H new ATOM 1455 N TYR A 747 -5.351 6.862 -4.962 1.00 0.00 N ATOM 1456 CA TYR A 747 -4.820 5.843 -5.868 1.00 0.00 C ATOM 1457 C TYR A 747 -5.897 4.836 -6.284 1.00 0.00 C ATOM 1458 O TYR A 747 -5.746 4.147 -7.293 1.00 0.00 O ATOM 1459 CB TYR A 747 -3.640 5.112 -5.222 1.00 0.00 C ATOM 1460 CG TYR A 747 -2.324 5.849 -5.363 1.00 0.00 C ATOM 1461 CD1 TYR A 747 -2.153 7.117 -4.819 1.00 0.00 C ATOM 1462 CD2 TYR A 747 -1.254 5.280 -6.045 1.00 0.00 C ATOM 1463 CE1 TYR A 747 -0.957 7.794 -4.946 1.00 0.00 C ATOM 1464 CE2 TYR A 747 -0.053 5.952 -6.176 1.00 0.00 C ATOM 1465 CZ TYR A 747 0.090 7.209 -5.627 1.00 0.00 C ATOM 1466 OH TYR A 747 1.285 7.883 -5.756 1.00 0.00 O ATOM 0 H TYR A 747 -5.123 6.712 -3.979 1.00 0.00 H new ATOM 0 HA TYR A 747 -4.475 6.355 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 747 -3.852 4.961 -4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 747 -3.544 4.124 -5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 747 -2.971 7.581 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 747 -1.363 4.297 -6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 747 -0.842 8.777 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 747 0.770 5.495 -6.706 1.00 0.00 H new ATOM 0 HH TYR A 747 1.415 8.469 -4.981 1.00 0.00 H new ATOM 1476 N GLN A 748 -6.988 4.757 -5.517 1.00 0.00 N ATOM 1477 CA GLN A 748 -8.077 3.839 -5.842 1.00 0.00 C ATOM 1478 C GLN A 748 -8.664 4.178 -7.213 1.00 0.00 C ATOM 1479 O GLN A 748 -9.089 3.288 -7.952 1.00 0.00 O ATOM 1480 CB GLN A 748 -9.176 3.899 -4.774 1.00 0.00 C ATOM 1481 CG GLN A 748 -9.812 2.549 -4.472 1.00 0.00 C ATOM 1482 CD GLN A 748 -10.940 2.645 -3.461 1.00 0.00 C ATOM 1483 OE1 GLN A 748 -11.881 3.420 -3.634 1.00 0.00 O ATOM 1484 NE2 GLN A 748 -10.853 1.853 -2.396 1.00 0.00 N ATOM 0 H GLN A 748 -7.138 5.313 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 748 -7.673 2.827 -5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -8.755 4.306 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.952 4.591 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -10.195 2.117 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -9.048 1.869 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -10.056 1.225 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -11.583 1.873 -1.684 1.00 0.00 H new ATOM 1493 N CYS A 749 -8.681 5.472 -7.544 1.00 0.00 N ATOM 1494 CA CYS A 749 -9.211 5.937 -8.823 1.00 0.00 C ATOM 1495 C CYS A 749 -8.092 6.231 -9.826 1.00 0.00 C ATOM 1496 O CYS A 749 -8.257 6.007 -11.026 1.00 0.00 O ATOM 1497 CB CYS A 749 -10.066 7.190 -8.620 1.00 0.00 C ATOM 1498 SG CYS A 749 -11.801 6.847 -8.242 1.00 0.00 S ATOM 0 H CYS A 749 -8.332 6.216 -6.940 1.00 0.00 H new ATOM 0 HA CYS A 749 -9.829 5.137 -9.231 1.00 0.00 H new ATOM 0 HB2 CYS A 749 -9.639 7.781 -7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 749 -10.016 7.801 -9.521 1.00 0.00 H new ATOM 0 HG CYS A 749 -12.441 7.968 -8.086 1.00 0.00 H new ATOM 1504 N HIS A 750 -6.958 6.737 -9.339 1.00 0.00 N ATOM 1505 CA HIS A 750 -5.830 7.059 -10.216 1.00 0.00 C ATOM 1506 C HIS A 750 -4.941 5.839 -10.441 1.00 0.00 C ATOM 1507 O HIS A 750 -4.640 5.098 -9.505 1.00 0.00 O ATOM 1508 CB HIS A 750 -4.996 8.205 -9.635 1.00 0.00 C ATOM 1509 CG HIS A 750 -5.779 9.453 -9.365 1.00 0.00 C ATOM 1510 ND1 HIS A 750 -5.551 10.259 -8.268 1.00 0.00 N ATOM 1511 CD2 HIS A 750 -6.783 10.042 -10.058 1.00 0.00 C ATOM 1512 CE1 HIS A 750 -6.382 11.286 -8.298 1.00 0.00 C ATOM 1513 NE2 HIS A 750 -7.140 11.177 -9.374 1.00 0.00 N ATOM 0 H HIS A 750 -6.796 6.932 -8.351 1.00 0.00 H new ATOM 0 HA HIS A 750 -6.242 7.372 -11.175 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -4.534 7.870 -8.706 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -4.187 8.439 -10.327 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -7.221 9.685 -10.978 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -6.433 12.079 -7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -7.872 11.831 -9.652 1.00 0.00 H new ATOM 1522 N SER A 751 -4.520 5.643 -11.691 1.00 0.00 N ATOM 1523 CA SER A 751 -3.661 4.513 -12.045 1.00 0.00 C ATOM 1524 C SER A 751 -2.262 4.682 -11.463 1.00 0.00 C ATOM 1525 O SER A 751 -1.794 5.801 -11.246 1.00 0.00 O ATOM 1526 CB SER A 751 -3.572 4.359 -13.562 1.00 0.00 C ATOM 1527 OG SER A 751 -3.260 3.023 -13.926 1.00 0.00 O ATOM 0 H SER A 751 -4.760 6.251 -12.474 1.00 0.00 H new ATOM 0 HA SER A 751 -4.108 3.614 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 751 -4.519 4.650 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 751 -2.810 5.033 -13.954 1.00 0.00 H new ATOM 0 HG SER A 751 -3.211 2.953 -14.902 1.00 0.00 H new ATOM 1533 N LEU A 752 -1.602 3.558 -11.218 1.00 0.00 N ATOM 1534 CA LEU A 752 -0.250 3.563 -10.661 1.00 0.00 C ATOM 1535 C LEU A 752 0.804 3.932 -11.713 1.00 0.00 C ATOM 1536 O LEU A 752 1.977 4.117 -11.379 1.00 0.00 O ATOM 1537 CB LEU A 752 0.070 2.196 -10.049 1.00 0.00 C ATOM 1538 CG LEU A 752 -0.593 1.923 -8.695 1.00 0.00 C ATOM 1539 CD1 LEU A 752 -1.017 0.464 -8.587 1.00 0.00 C ATOM 1540 CD2 LEU A 752 0.349 2.296 -7.558 1.00 0.00 C ATOM 0 H LEU A 752 -1.980 2.627 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 752 -0.217 4.327 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 752 -0.237 1.420 -10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 752 1.150 2.111 -9.932 1.00 0.00 H new ATOM 0 HG LEU A 752 -1.487 2.542 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 752 -1.485 0.292 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 752 -1.728 0.232 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 752 -0.141 -0.178 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 752 -0.137 2.096 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 752 1.261 1.704 -7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 752 0.598 3.355 -7.624 1.00 0.00 H new ATOM 1552 N LYS A 753 0.388 4.044 -12.981 1.00 0.00 N ATOM 1553 CA LYS A 753 1.308 4.395 -14.065 1.00 0.00 C ATOM 1554 C LYS A 753 1.757 5.854 -13.975 1.00 0.00 C ATOM 1555 O LYS A 753 2.868 6.190 -14.387 1.00 0.00 O ATOM 1556 CB LYS A 753 0.664 4.138 -15.433 1.00 0.00 C ATOM 1557 CG LYS A 753 -0.624 4.914 -15.672 1.00 0.00 C ATOM 1558 CD LYS A 753 -1.020 4.901 -17.141 1.00 0.00 C ATOM 1559 CE LYS A 753 -2.116 3.880 -17.411 1.00 0.00 C ATOM 1560 NZ LYS A 753 -3.461 4.388 -17.016 1.00 0.00 N ATOM 0 H LYS A 753 -0.576 3.897 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 753 2.186 3.758 -13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 753 1.380 4.395 -16.213 1.00 0.00 H new ATOM 0 HB3 LYS A 753 0.456 3.072 -15.530 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -1.426 4.482 -15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -0.497 5.944 -15.338 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -1.364 5.893 -17.436 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -0.148 4.671 -17.753 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -2.121 3.625 -18.471 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -1.900 2.962 -16.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -4.083 3.585 -16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -3.369 4.999 -16.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -3.870 4.935 -17.801 1.00 0.00 H new ATOM 1574 N GLU A 754 0.887 6.716 -13.442 1.00 0.00 N ATOM 1575 CA GLU A 754 1.196 8.140 -13.307 1.00 0.00 C ATOM 1576 C GLU A 754 2.522 8.350 -12.576 1.00 0.00 C ATOM 1577 O GLU A 754 3.345 9.165 -12.990 1.00 0.00 O ATOM 1578 CB GLU A 754 0.070 8.869 -12.567 1.00 0.00 C ATOM 1579 CG GLU A 754 -1.302 8.676 -13.198 1.00 0.00 C ATOM 1580 CD GLU A 754 -2.176 9.911 -13.100 1.00 0.00 C ATOM 1581 OE1 GLU A 754 -2.541 10.291 -11.966 1.00 0.00 O ATOM 1582 OE2 GLU A 754 -2.499 10.496 -14.155 1.00 0.00 O ATOM 0 H GLU A 754 -0.036 6.452 -13.097 1.00 0.00 H new ATOM 0 HA GLU A 754 1.287 8.556 -14.311 1.00 0.00 H new ATOM 0 HB2 GLU A 754 0.038 8.518 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 754 0.299 9.934 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -1.179 8.406 -14.247 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -1.806 7.841 -12.711 1.00 0.00 H new ATOM 1589 N SER A 755 2.725 7.603 -11.491 1.00 0.00 N ATOM 1590 CA SER A 755 3.955 7.705 -10.711 1.00 0.00 C ATOM 1591 C SER A 755 4.942 6.612 -11.107 1.00 0.00 C ATOM 1592 O SER A 755 6.093 6.895 -11.445 1.00 0.00 O ATOM 1593 CB SER A 755 3.650 7.608 -9.215 1.00 0.00 C ATOM 1594 OG SER A 755 3.054 8.801 -8.734 1.00 0.00 O ATOM 0 H SER A 755 2.054 6.922 -11.134 1.00 0.00 H new ATOM 0 HA SER A 755 4.405 8.675 -10.921 1.00 0.00 H new ATOM 0 HB2 SER A 755 2.983 6.766 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 755 4.571 7.411 -8.666 1.00 0.00 H new ATOM 0 HG SER A 755 2.168 8.599 -8.368 1.00 0.00 H new ATOM 1600 N PHE A 756 4.487 5.361 -11.061 1.00 0.00 N ATOM 1601 CA PHE A 756 5.330 4.224 -11.413 1.00 0.00 C ATOM 1602 C PHE A 756 5.030 3.746 -12.828 1.00 0.00 C ATOM 1603 O PHE A 756 4.058 3.025 -13.054 1.00 0.00 O ATOM 1604 CB PHE A 756 5.113 3.077 -10.421 1.00 0.00 C ATOM 1605 CG PHE A 756 5.255 3.485 -8.982 1.00 0.00 C ATOM 1606 CD1 PHE A 756 6.509 3.621 -8.408 1.00 0.00 C ATOM 1607 CD2 PHE A 756 4.135 3.735 -8.204 1.00 0.00 C ATOM 1608 CE1 PHE A 756 6.642 3.998 -7.087 1.00 0.00 C ATOM 1609 CE2 PHE A 756 4.263 4.112 -6.882 1.00 0.00 C ATOM 1610 CZ PHE A 756 5.519 4.245 -6.323 1.00 0.00 C ATOM 0 H PHE A 756 3.538 5.111 -10.783 1.00 0.00 H new ATOM 0 HA PHE A 756 6.371 4.545 -11.368 1.00 0.00 H new ATOM 0 HB2 PHE A 756 4.118 2.660 -10.574 1.00 0.00 H new ATOM 0 HB3 PHE A 756 5.828 2.283 -10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 756 7.391 3.430 -9.001 1.00 0.00 H new ATOM 0 HD2 PHE A 756 3.151 3.634 -8.637 1.00 0.00 H new ATOM 0 HE1 PHE A 756 7.625 4.100 -6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 756 3.383 4.303 -6.286 1.00 0.00 H new ATOM 0 HZ PHE A 756 5.622 4.542 -5.290 1.00 0.00 H new ATOM 1620 N LYS A 757 5.871 4.148 -13.780 1.00 0.00 N ATOM 1621 CA LYS A 757 5.691 3.753 -15.175 1.00 0.00 C ATOM 1622 C LYS A 757 5.655 2.229 -15.317 1.00 0.00 C ATOM 1623 O LYS A 757 4.954 1.699 -16.178 1.00 0.00 O ATOM 1624 CB LYS A 757 6.805 4.344 -16.044 1.00 0.00 C ATOM 1625 CG LYS A 757 6.615 5.822 -16.348 1.00 0.00 C ATOM 1626 CD LYS A 757 7.939 6.574 -16.336 1.00 0.00 C ATOM 1627 CE LYS A 757 8.170 7.276 -15.006 1.00 0.00 C ATOM 1628 NZ LYS A 757 7.277 8.458 -14.832 1.00 0.00 N ATOM 0 H LYS A 757 6.681 4.745 -13.611 1.00 0.00 H new ATOM 0 HA LYS A 757 4.733 4.146 -15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 757 7.761 4.204 -15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 757 6.856 3.791 -16.982 1.00 0.00 H new ATOM 0 HG2 LYS A 757 6.141 5.935 -17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 757 5.940 6.261 -15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 757 8.756 5.878 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 757 7.949 7.307 -17.142 1.00 0.00 H new ATOM 0 HE2 LYS A 757 8.001 6.572 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 757 9.210 7.596 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 757 7.610 9.030 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 757 7.291 9.034 -15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 757 6.306 8.135 -14.647 1.00 0.00 H new ATOM 1642 N GLN A 758 6.402 1.529 -14.457 1.00 0.00 N ATOM 1643 CA GLN A 758 6.438 0.066 -14.479 1.00 0.00 C ATOM 1644 C GLN A 758 5.057 -0.528 -14.171 1.00 0.00 C ATOM 1645 O GLN A 758 4.725 -1.618 -14.639 1.00 0.00 O ATOM 1646 CB GLN A 758 7.457 -0.458 -13.462 1.00 0.00 C ATOM 1647 CG GLN A 758 8.897 -0.420 -13.952 1.00 0.00 C ATOM 1648 CD GLN A 758 9.499 -1.804 -14.109 1.00 0.00 C ATOM 1649 OE1 GLN A 758 10.301 -2.242 -13.285 1.00 0.00 O ATOM 1650 NE2 GLN A 758 9.114 -2.503 -15.171 1.00 0.00 N ATOM 0 H GLN A 758 6.989 1.953 -13.738 1.00 0.00 H new ATOM 0 HA GLN A 758 6.734 -0.242 -15.482 1.00 0.00 H new ATOM 0 HB2 GLN A 758 7.379 0.132 -12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 758 7.200 -1.485 -13.201 1.00 0.00 H new ATOM 0 HG2 GLN A 758 8.937 0.100 -14.909 1.00 0.00 H new ATOM 0 HG3 GLN A 758 9.500 0.157 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 758 8.447 -2.103 -15.830 1.00 0.00 H new ATOM 0 HE22 GLN A 758 9.486 -3.440 -15.327 1.00 0.00 H new ATOM 1659 N LEU A 759 4.261 0.191 -13.374 1.00 0.00 N ATOM 1660 CA LEU A 759 2.925 -0.268 -12.995 1.00 0.00 C ATOM 1661 C LEU A 759 1.844 0.376 -13.864 1.00 0.00 C ATOM 1662 O LEU A 759 1.978 1.523 -14.291 1.00 0.00 O ATOM 1663 CB LEU A 759 2.662 0.051 -11.521 1.00 0.00 C ATOM 1664 CG LEU A 759 2.872 -1.117 -10.555 1.00 0.00 C ATOM 1665 CD1 LEU A 759 4.280 -1.091 -9.978 1.00 0.00 C ATOM 1666 CD2 LEU A 759 1.834 -1.079 -9.442 1.00 0.00 C ATOM 0 H LEU A 759 4.521 1.095 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 759 2.885 -1.346 -13.150 1.00 0.00 H new ATOM 0 HB2 LEU A 759 3.314 0.871 -11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 759 1.636 0.406 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 759 2.749 -2.048 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 759 4.408 -1.930 -9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 759 5.006 -1.168 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 759 4.435 -0.156 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 759 1.997 -1.916 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 759 1.925 -0.143 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 759 0.835 -1.151 -9.873 1.00 0.00 H new ATOM 1678 N ASP A 760 0.765 -0.368 -14.112 1.00 0.00 N ATOM 1679 CA ASP A 760 -0.349 0.132 -14.919 1.00 0.00 C ATOM 1680 C ASP A 760 -1.685 -0.423 -14.418 1.00 0.00 C ATOM 1681 O ASP A 760 -2.565 -0.766 -15.213 1.00 0.00 O ATOM 1682 CB ASP A 760 -0.150 -0.237 -16.396 1.00 0.00 C ATOM 1683 CG ASP A 760 0.805 0.701 -17.108 1.00 0.00 C ATOM 1684 OD1 ASP A 760 0.355 1.774 -17.560 1.00 0.00 O ATOM 1685 OD2 ASP A 760 2.002 0.362 -17.212 1.00 0.00 O ATOM 0 H ASP A 760 0.639 -1.319 -13.766 1.00 0.00 H new ATOM 0 HA ASP A 760 -0.370 1.218 -14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 760 0.230 -1.256 -16.464 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -1.114 -0.222 -16.904 1.00 0.00 H new ATOM 1690 N THR A 761 -1.831 -0.518 -13.095 1.00 0.00 N ATOM 1691 CA THR A 761 -3.058 -1.042 -12.495 1.00 0.00 C ATOM 1692 C THR A 761 -3.518 -0.183 -11.309 1.00 0.00 C ATOM 1693 O THR A 761 -2.936 0.864 -11.024 1.00 0.00 O ATOM 1694 CB THR A 761 -2.839 -2.493 -12.054 1.00 0.00 C ATOM 1695 OG1 THR A 761 -4.054 -3.080 -11.626 1.00 0.00 O ATOM 1696 CG2 THR A 761 -1.835 -2.644 -10.928 1.00 0.00 C ATOM 0 H THR A 761 -1.117 -0.240 -12.421 1.00 0.00 H new ATOM 0 HA THR A 761 -3.846 -1.008 -13.247 1.00 0.00 H new ATOM 0 HB THR A 761 -2.444 -2.997 -12.936 1.00 0.00 H new ATOM 0 HG1 THR A 761 -3.891 -4.006 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 761 -1.733 -3.698 -10.670 1.00 0.00 H new ATOM 0 HG22 THR A 761 -0.869 -2.253 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 761 -2.180 -2.089 -10.056 1.00 0.00 H new ATOM 1704 N THR A 762 -4.574 -0.641 -10.627 1.00 0.00 N ATOM 1705 CA THR A 762 -5.129 0.073 -9.474 1.00 0.00 C ATOM 1706 C THR A 762 -5.667 -0.908 -8.425 1.00 0.00 C ATOM 1707 O THR A 762 -5.568 -2.125 -8.592 1.00 0.00 O ATOM 1708 CB THR A 762 -6.253 1.015 -9.926 1.00 0.00 C ATOM 1709 OG1 THR A 762 -6.925 0.496 -11.064 1.00 0.00 O ATOM 1710 CG2 THR A 762 -5.769 2.407 -10.270 1.00 0.00 C ATOM 0 H THR A 762 -5.062 -1.507 -10.856 1.00 0.00 H new ATOM 0 HA THR A 762 -4.327 0.657 -9.022 1.00 0.00 H new ATOM 0 HB THR A 762 -6.927 1.084 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 762 -7.638 1.113 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 762 -6.615 3.020 -10.581 1.00 0.00 H new ATOM 0 HG22 THR A 762 -5.299 2.855 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 762 -5.044 2.350 -11.082 1.00 0.00 H new ATOM 1718 N LEU A 763 -6.239 -0.367 -7.345 1.00 0.00 N ATOM 1719 CA LEU A 763 -6.796 -1.194 -6.271 1.00 0.00 C ATOM 1720 C LEU A 763 -8.118 -1.835 -6.706 1.00 0.00 C ATOM 1721 O LEU A 763 -9.162 -1.182 -6.711 1.00 0.00 O ATOM 1722 CB LEU A 763 -7.015 -0.355 -5.002 1.00 0.00 C ATOM 1723 CG LEU A 763 -5.884 0.618 -4.647 1.00 0.00 C ATOM 1724 CD1 LEU A 763 -6.214 1.386 -3.375 1.00 0.00 C ATOM 1725 CD2 LEU A 763 -4.564 -0.126 -4.493 1.00 0.00 C ATOM 0 H LEU A 763 -6.328 0.637 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 763 -6.080 -1.986 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -7.937 0.215 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -7.164 -1.033 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 763 -5.783 1.333 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -5.399 2.070 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -7.133 1.953 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -6.347 0.685 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -3.774 0.582 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -4.654 -0.867 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -4.317 -0.627 -5.429 1.00 0.00 H new ATOM 1737 N LYS A 764 -8.060 -3.116 -7.075 1.00 0.00 N ATOM 1738 CA LYS A 764 -9.248 -3.847 -7.514 1.00 0.00 C ATOM 1739 C LYS A 764 -9.783 -4.759 -6.407 1.00 0.00 C ATOM 1740 O LYS A 764 -10.936 -4.628 -5.993 1.00 0.00 O ATOM 1741 CB LYS A 764 -8.931 -4.667 -8.767 1.00 0.00 C ATOM 1742 CG LYS A 764 -10.149 -5.342 -9.383 1.00 0.00 C ATOM 1743 CD LYS A 764 -9.861 -5.868 -10.783 1.00 0.00 C ATOM 1744 CE LYS A 764 -8.873 -7.025 -10.758 1.00 0.00 C ATOM 1745 NZ LYS A 764 -8.381 -7.372 -12.122 1.00 0.00 N ATOM 0 H LYS A 764 -7.202 -3.668 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 764 -10.022 -3.117 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 764 -8.473 -4.015 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 764 -8.194 -5.429 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 764 -10.469 -6.166 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 764 -10.975 -4.632 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 764 -10.792 -6.194 -11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 764 -9.462 -5.062 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 764 -8.026 -6.764 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 764 -9.349 -7.898 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 -7.458 -7.845 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 -9.061 -8.009 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 -8.281 -6.504 -12.686 1.00 0.00 H new ATOM 1759 N TYR A 765 -8.946 -5.684 -5.935 1.00 0.00 N ATOM 1760 CA TYR A 765 -9.353 -6.614 -4.880 1.00 0.00 C ATOM 1761 C TYR A 765 -8.302 -6.708 -3.775 1.00 0.00 C ATOM 1762 O TYR A 765 -7.103 -6.750 -4.054 1.00 0.00 O ATOM 1763 CB TYR A 765 -9.600 -8.009 -5.460 1.00 0.00 C ATOM 1764 CG TYR A 765 -10.641 -8.046 -6.558 1.00 0.00 C ATOM 1765 CD1 TYR A 765 -11.939 -7.603 -6.331 1.00 0.00 C ATOM 1766 CD2 TYR A 765 -10.325 -8.529 -7.821 1.00 0.00 C ATOM 1767 CE1 TYR A 765 -12.890 -7.641 -7.332 1.00 0.00 C ATOM 1768 CE2 TYR A 765 -11.270 -8.569 -8.827 1.00 0.00 C ATOM 1769 CZ TYR A 765 -12.552 -8.125 -8.577 1.00 0.00 C ATOM 1770 OH TYR A 765 -13.495 -8.164 -9.577 1.00 0.00 O ATOM 0 H TYR A 765 -7.989 -5.809 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 765 -10.276 -6.227 -4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 765 -8.661 -8.400 -5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 765 -9.912 -8.675 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 765 -12.208 -7.223 -5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 765 -9.323 -8.879 -8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 765 -13.894 -7.293 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 765 -11.007 -8.946 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 765 -13.093 -8.532 -10.392 1.00 0.00 H new ATOM 1780 N PRO A 766 -8.743 -6.754 -2.501 1.00 0.00 N ATOM 1781 CA PRO A 766 -7.842 -6.860 -1.346 1.00 0.00 C ATOM 1782 C PRO A 766 -7.131 -8.215 -1.298 1.00 0.00 C ATOM 1783 O PRO A 766 -7.099 -8.943 -2.293 1.00 0.00 O ATOM 1784 CB PRO A 766 -8.776 -6.705 -0.132 1.00 0.00 C ATOM 1785 CG PRO A 766 -10.062 -6.188 -0.682 1.00 0.00 C ATOM 1786 CD PRO A 766 -10.151 -6.714 -2.084 1.00 0.00 C ATOM 0 HA PRO A 766 -7.049 -6.113 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -8.921 -7.659 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -8.357 -6.015 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -10.907 -6.527 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -10.081 -5.098 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -10.612 -7.701 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -10.745 -6.062 -2.725 1.00 0.00 H new ATOM 1794 N TYR A 767 -6.568 -8.550 -0.139 1.00 0.00 N ATOM 1795 CA TYR A 767 -5.862 -9.821 0.032 1.00 0.00 C ATOM 1796 C TYR A 767 -6.732 -10.854 0.756 1.00 0.00 C ATOM 1797 O TYR A 767 -6.735 -12.030 0.388 1.00 0.00 O ATOM 1798 CB TYR A 767 -4.543 -9.611 0.787 1.00 0.00 C ATOM 1799 CG TYR A 767 -4.711 -9.241 2.247 1.00 0.00 C ATOM 1800 CD1 TYR A 767 -4.973 -7.932 2.629 1.00 0.00 C ATOM 1801 CD2 TYR A 767 -4.606 -10.205 3.242 1.00 0.00 C ATOM 1802 CE1 TYR A 767 -5.127 -7.593 3.960 1.00 0.00 C ATOM 1803 CE2 TYR A 767 -4.758 -9.876 4.574 1.00 0.00 C ATOM 1804 CZ TYR A 767 -5.017 -8.569 4.928 1.00 0.00 C ATOM 1805 OH TYR A 767 -5.166 -8.240 6.255 1.00 0.00 O ATOM 0 H TYR A 767 -6.586 -7.962 0.694 1.00 0.00 H new ATOM 0 HA TYR A 767 -5.639 -10.209 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 767 -3.951 -10.524 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 767 -3.974 -8.826 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 767 -5.058 -7.165 1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 767 -4.402 -11.230 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 767 -5.332 -6.570 4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 767 -4.674 -10.638 5.335 1.00 0.00 H new ATOM 0 HH TYR A 767 -5.453 -7.306 6.330 1.00 0.00 H new ATOM 1815 N LYS A 768 -7.461 -10.414 1.786 1.00 0.00 N ATOM 1816 CA LYS A 768 -8.323 -11.311 2.557 1.00 0.00 C ATOM 1817 C LYS A 768 -9.801 -11.117 2.205 1.00 0.00 C ATOM 1818 O LYS A 768 -10.576 -12.075 2.202 1.00 0.00 O ATOM 1819 CB LYS A 768 -8.107 -11.102 4.061 1.00 0.00 C ATOM 1820 CG LYS A 768 -8.354 -9.675 4.539 1.00 0.00 C ATOM 1821 CD LYS A 768 -8.829 -9.649 5.981 1.00 0.00 C ATOM 1822 CE LYS A 768 -10.343 -9.764 6.074 1.00 0.00 C ATOM 1823 NZ LYS A 768 -10.911 -8.864 7.116 1.00 0.00 N ATOM 0 H LYS A 768 -7.471 -9.445 2.104 1.00 0.00 H new ATOM 0 HA LYS A 768 -8.049 -12.333 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 768 -8.767 -11.775 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 768 -7.085 -11.385 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 768 -7.436 -9.094 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 768 -9.098 -9.199 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 768 -8.367 -10.468 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 768 -8.504 -8.723 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 768 -10.784 -9.522 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 768 -10.615 -10.795 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 768 -11.945 -8.975 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 768 -10.510 -9.111 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 768 -10.675 -7.877 6.888 1.00 0.00 H new ATOM 1975 N GLU B1409 8.985 -0.782 -5.577 1.00 0.00 N ATOM 1976 CA GLU B1409 8.869 -0.065 -6.844 1.00 0.00 C ATOM 1977 C GLU B1409 9.240 1.407 -6.671 1.00 0.00 C ATOM 1978 O GLU B1409 8.626 2.121 -5.874 1.00 0.00 O ATOM 1979 CB GLU B1409 7.442 -0.183 -7.387 1.00 0.00 C ATOM 1980 CG GLU B1409 7.183 -1.467 -8.162 1.00 0.00 C ATOM 1981 CD GLU B1409 7.638 -1.390 -9.610 1.00 0.00 C ATOM 1982 OE1 GLU B1409 7.396 -0.351 -10.259 1.00 0.00 O ATOM 1983 OE2 GLU B1409 8.232 -2.376 -10.096 1.00 0.00 O ATOM 0 HA GLU B1409 9.562 -0.514 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU B1409 6.741 -0.124 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU B1409 7.239 0.669 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU B1409 7.697 -2.292 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU B1409 6.117 -1.693 -8.134 1.00 0.00 H new ATOM 1990 N GLU B1410 10.248 1.855 -7.419 1.00 0.00 N ATOM 1991 CA GLU B1410 10.702 3.243 -7.349 1.00 0.00 C ATOM 1992 C GLU B1410 9.965 4.109 -8.370 1.00 0.00 C ATOM 1993 O GLU B1410 9.637 3.651 -9.466 1.00 0.00 O ATOM 1994 CB GLU B1410 12.213 3.321 -7.587 1.00 0.00 C ATOM 1995 CG GLU B1410 12.932 4.278 -6.646 1.00 0.00 C ATOM 1996 CD GLU B1410 12.920 5.708 -7.147 1.00 0.00 C ATOM 1997 OE1 GLU B1410 13.748 6.036 -8.024 1.00 0.00 O ATOM 1998 OE2 GLU B1410 12.082 6.501 -6.666 1.00 0.00 O ATOM 0 H GLU B1410 10.766 1.276 -8.081 1.00 0.00 H new ATOM 0 HA GLU B1410 10.480 3.623 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU B1410 12.641 2.325 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU B1410 12.394 3.632 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU B1410 12.462 4.237 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU B1410 13.964 3.950 -6.519 1.00 0.00 H new ATOM 2005 N VAL B1411 9.704 5.364 -8.000 1.00 0.00 N ATOM 2006 CA VAL B1411 9.003 6.298 -8.881 1.00 0.00 C ATOM 2007 C VAL B1411 9.930 6.833 -9.969 1.00 0.00 C ATOM 2008 O VAL B1411 11.129 7.013 -9.747 1.00 0.00 O ATOM 2009 CB VAL B1411 8.409 7.488 -8.093 1.00 0.00 C ATOM 2010 CG1 VAL B1411 7.500 8.326 -8.981 1.00 0.00 C ATOM 2011 CG2 VAL B1411 7.654 7.002 -6.864 1.00 0.00 C ATOM 0 H VAL B1411 9.968 5.756 -7.096 1.00 0.00 H new ATOM 0 HA VAL B1411 8.189 5.740 -9.343 1.00 0.00 H new ATOM 0 HB VAL B1411 9.235 8.116 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL B1411 7.094 9.157 -8.405 1.00 0.00 H new ATOM 0 HG12 VAL B1411 8.072 8.714 -9.824 1.00 0.00 H new ATOM 0 HG13 VAL B1411 6.682 7.708 -9.351 1.00 0.00 H new ATOM 0 HG21 VAL B1411 7.245 7.857 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL B1411 6.841 6.345 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL B1411 8.335 6.455 -6.212 1.00 0.00 H new ATOM 2021 N GLY B1412 9.362 7.086 -11.150 1.00 0.00 N ATOM 2022 CA GLY B1412 10.139 7.599 -12.265 1.00 0.00 C ATOM 2023 C GLY B1412 9.845 9.058 -12.563 1.00 0.00 C ATOM 2024 O GLY B1412 8.653 9.434 -12.581 1.00 0.00 O ATOM 2025 OXT GLY B1412 10.807 9.825 -12.783 1.00 0.00 O ATOM 0 H GLY B1412 8.372 6.943 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY B1412 11.201 7.484 -12.046 1.00 0.00 H new ATOM 0 HA3 GLY B1412 9.930 7.002 -13.153 1.00 0.00 H new